smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCCC[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001636801829 1166699114 /nfs/dbraw/zinc/69/91/14/1166699114.db2.gz NDURWFULSIQETG-SNVBAGLBSA-N 0 3 292.339 1.391 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C)CC1(C)C ZINC001456161649 968879331 /nfs/dbraw/zinc/87/93/31/968879331.db2.gz YZIZHGWPWVKEDU-CYBMUJFWSA-N 0 3 291.351 1.973 10 5 CDBEHN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)C[C@@H]2CCCN2C)n1 ZINC001536840097 969634430 /nfs/dbraw/zinc/63/44/30/969634430.db2.gz NVAIPGXKDWNVHY-NSHDSACASA-N 0 3 292.339 1.464 10 5 CDBEHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1cn[nH]c1 ZINC001654079812 1171592010 /nfs/dbraw/zinc/59/20/10/1171592010.db2.gz PYIJOYHGFHVORG-MRVPVSSYSA-N 0 3 264.289 1.174 10 5 CDBEHN CN(C[C@H]1CCCN1C)c1ncc(F)cc1[N+](=O)[O-] ZINC000601174474 342486530 /nfs/dbraw/zinc/48/65/30/342486530.db2.gz DMKFUOVDFJAVOB-SNVBAGLBSA-N 0 3 268.292 1.659 10 5 CDBEHN CN1C[C@@H]2CCN(CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590010312 342519260 /nfs/dbraw/zinc/51/92/60/342519260.db2.gz AZWOJARFCYPXJR-GXTWGEPZSA-N 0 3 291.351 1.610 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590043477 342520363 /nfs/dbraw/zinc/52/03/63/342520363.db2.gz AHFAHDHNSLVNOI-NOZJJQNGSA-N 0 3 293.298 1.510 10 5 CDBEHN Cc1c(CNC[C@H](O)COC(C)C)cccc1[N+](=O)[O-] ZINC000231885780 341994890 /nfs/dbraw/zinc/99/48/90/341994890.db2.gz VBRROGXNYXYABG-ZDUSSCGKSA-N 0 3 282.340 1.779 10 5 CDBEHN O=[N+]([O-])c1cncc(Br)c1NC1CNC1 ZINC000232478180 342019262 /nfs/dbraw/zinc/01/92/62/342019262.db2.gz KFQYJCSABDNMCS-UHFFFAOYSA-N 0 3 273.090 1.136 10 5 CDBEHN CC(C)(CNCc1cccc([N+](=O)[O-])c1)[C@]1(O)CCOC1 ZINC000592375610 342686781 /nfs/dbraw/zinc/68/67/81/342686781.db2.gz WPNSBLYJBJPLTN-HNNXBMFYSA-N 0 3 294.351 1.862 10 5 CDBEHN Cc1c(NC(=O)COC2(C)CNC2)cccc1[N+](=O)[O-] ZINC000098060330 342226880 /nfs/dbraw/zinc/22/68/80/342226880.db2.gz OFCUSHUWPBZYRT-UHFFFAOYSA-N 0 3 279.296 1.220 10 5 CDBEHN CCc1ccc(OC[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000080760593 539109337 /nfs/dbraw/zinc/10/93/37/539109337.db2.gz ZBAJDFXMBUSIPU-LLVKDONJSA-N 0 3 266.297 1.524 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@@H](CO)C2CCC2)cc1 ZINC000594957139 342983441 /nfs/dbraw/zinc/98/34/41/342983441.db2.gz NYSIKLPLCUAQHY-ZDUSSCGKSA-N 0 3 250.298 1.845 10 5 CDBEHN Cc1nn(C)c(NCCN2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000076776213 342323297 /nfs/dbraw/zinc/32/32/97/342323297.db2.gz GCYMZGCMBKLNNY-SNVBAGLBSA-N 0 3 281.360 1.923 10 5 CDBEHN Cc1noc(CN2CC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000595501110 343078014 /nfs/dbraw/zinc/07/80/14/343078014.db2.gz HNZBWEFVYHHYQQ-VHSXEESVSA-N 0 3 266.301 1.027 10 5 CDBEHN O=[N+]([O-])c1ccc(CN(C[C@@H]2CNCCO2)C2CC2)cc1 ZINC000595890102 343181638 /nfs/dbraw/zinc/18/16/38/343181638.db2.gz BQNQNBNQHAFJLK-HNNXBMFYSA-N 0 3 291.351 1.548 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](F)[C@H](N)C1 ZINC000595905828 343188442 /nfs/dbraw/zinc/18/84/42/343188442.db2.gz GUZJUQDNKMLHND-VXGBXAGGSA-N 0 3 283.303 1.475 10 5 CDBEHN C[C@H]1CCCC[N@@H+]1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596076853 343226781 /nfs/dbraw/zinc/22/67/81/343226781.db2.gz QOLXRRANWWCXSN-JTQLQIEISA-N 0 3 280.328 1.982 10 5 CDBEHN C[C@H]1CCCC[N@H+]1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596076853 343226782 /nfs/dbraw/zinc/22/67/82/343226782.db2.gz QOLXRRANWWCXSN-JTQLQIEISA-N 0 3 280.328 1.982 10 5 CDBEHN COc1cc(F)c([N+](=O)[O-])c(NCCN(C)C)c1 ZINC000090998209 342398173 /nfs/dbraw/zinc/39/81/73/342398173.db2.gz FSPYXRILGRNJQH-UHFFFAOYSA-N 0 3 257.265 1.716 10 5 CDBEHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCCNC1=O ZINC000295015707 199300498 /nfs/dbraw/zinc/30/04/98/199300498.db2.gz KBDMYNNGURZCGM-AAEUAGOBSA-N 0 3 291.351 1.784 10 5 CDBEHN CCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000597945604 343675744 /nfs/dbraw/zinc/67/57/44/343675744.db2.gz JOAMXMWSODMRPD-CYBMUJFWSA-N 0 3 277.324 1.761 10 5 CDBEHN CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CCN1 ZINC000598572006 343832792 /nfs/dbraw/zinc/83/27/92/343832792.db2.gz JWAGCLGEXAPIHX-GFCCVEGCSA-N 0 3 278.312 1.060 10 5 CDBEHN C/C=C\CNCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000599005753 343937765 /nfs/dbraw/zinc/93/77/65/343937765.db2.gz REOUVZONKREODB-ARJAWSKDSA-N 0 3 294.307 1.812 10 5 CDBEHN C[C@@H](N[C@@H]1CCCNC(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000602582718 344476280 /nfs/dbraw/zinc/47/62/80/344476280.db2.gz NGPDGJMDTXIXOC-GHMZBOCLSA-N 0 3 277.324 1.914 10 5 CDBEHN CN1CCC[C@@H]1CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963020 344668471 /nfs/dbraw/zinc/66/84/71/344668471.db2.gz RRCHIGOOZGEUKH-HUUCEWRRSA-N 0 3 293.367 1.486 10 5 CDBEHN CN1C[C@H]2[C@@H](CCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000603843243 344837869 /nfs/dbraw/zinc/83/78/69/344837869.db2.gz HTRLFUOABCTCTL-GWCFXTLKSA-N 0 3 290.323 1.763 10 5 CDBEHN CN1C[C@H]2[C@@H](CCN2C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000603843192 344838226 /nfs/dbraw/zinc/83/82/26/344838226.db2.gz DQRUFHANCXRLAG-GWCFXTLKSA-N 0 3 290.323 1.763 10 5 CDBEHN CN1CCC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000610239931 346226839 /nfs/dbraw/zinc/22/68/39/346226839.db2.gz KHIHBTJIPQBAQP-LBPRGKRZSA-N 0 3 277.324 1.348 10 5 CDBEHN COc1cc(CN(C)C[C@H](O)C2CC2)ccc1[N+](=O)[O-] ZINC000305791845 350097030 /nfs/dbraw/zinc/09/70/30/350097030.db2.gz BDWGFCGGSZKYQS-ZDUSSCGKSA-N 0 3 280.324 1.806 10 5 CDBEHN C[C@H](NC[C@@H]1CN(C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000091666875 180221805 /nfs/dbraw/zinc/22/18/05/180221805.db2.gz BVFWVIGMVFFPCL-SMDDNHRTSA-N 0 3 279.340 1.576 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@H]2CCC[C@H](O)C2)cc1 ZINC000037163597 363530627 /nfs/dbraw/zinc/53/06/27/363530627.db2.gz FLBSGOBGILZAIB-AAEUAGOBSA-N 0 3 250.298 1.988 10 5 CDBEHN C[C@H](NC[C@H](O)CN(C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000289654354 359660449 /nfs/dbraw/zinc/66/04/49/359660449.db2.gz XOGJZAROHDSEAO-AAEUAGOBSA-N 0 3 293.367 1.701 10 5 CDBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000172054930 359716974 /nfs/dbraw/zinc/71/69/74/359716974.db2.gz GAHSIFHCTGMPHB-GXSJLCMTSA-N 0 3 295.364 1.965 10 5 CDBEHN COc1cc(NC[C@@H]2CNCCO2)c([N+](=O)[O-])cc1F ZINC000147224874 361350936 /nfs/dbraw/zinc/35/09/36/361350936.db2.gz HFHPYKNAKIZNAH-QMMMGPOBSA-N 0 3 285.275 1.143 10 5 CDBEHN O=[N+]([O-])c1cc(CNC[C@@H]2CCC[C@@H]2O)cs1 ZINC000089162677 370231442 /nfs/dbraw/zinc/23/14/42/370231442.db2.gz LLODWECMUGJEAI-UWVGGRQHSA-N 0 3 256.327 1.907 10 5 CDBEHN C[C@H]1CNCCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420165427 374290798 /nfs/dbraw/zinc/29/07/98/374290798.db2.gz HGJZTJKCAACMFZ-QMMMGPOBSA-N 0 3 287.266 1.994 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(OC[C@H]2CNCCO2)c1 ZINC000080745180 374478509 /nfs/dbraw/zinc/47/85/09/374478509.db2.gz SAEYQNNQQVVJJH-SNVBAGLBSA-N 0 3 252.270 1.270 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](CC(N)=O)C1 ZINC000377848577 374621465 /nfs/dbraw/zinc/62/14/65/374621465.db2.gz YLZYAENJTQQDQV-LLVKDONJSA-N 0 3 277.324 1.601 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H](CO)[C@@H]1CCOC1 ZINC000280363851 374993947 /nfs/dbraw/zinc/99/39/47/374993947.db2.gz UEZODRCWUFXTOI-ZIAGYGMSSA-N 0 3 294.351 1.638 10 5 CDBEHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000282521057 375090602 /nfs/dbraw/zinc/09/06/02/375090602.db2.gz YFATYBPTYSNAJG-JBLDHEPKSA-N 0 3 277.324 1.913 10 5 CDBEHN C[C@@H]1[C@@H](O)CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000296274272 375210683 /nfs/dbraw/zinc/21/06/83/375210683.db2.gz OOEOVYZNRAKCSP-RISCZKNCSA-N 0 3 264.325 1.983 10 5 CDBEHN Cc1cnc(NC[C@@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000231138075 376317369 /nfs/dbraw/zinc/31/73/69/376317369.db2.gz GLHUXGINJAAMMB-JTQLQIEISA-N 0 3 250.302 1.804 10 5 CDBEHN CCN1CCC[C@@H]1CN(C)c1ncccc1[N+](=O)[O-] ZINC000267080305 190301787 /nfs/dbraw/zinc/30/17/87/190301787.db2.gz RZARWURIFQKSOT-LLVKDONJSA-N 0 3 264.329 1.910 10 5 CDBEHN C[C@@H]1C[C@@H](O)CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000401791537 390416902 /nfs/dbraw/zinc/41/69/02/390416902.db2.gz GJLFOVSKRSQKFL-ZWNOBZJWSA-N 0 3 250.298 1.798 10 5 CDBEHN C[C@@H]1CN(CCO)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000418112298 392875848 /nfs/dbraw/zinc/87/58/48/392875848.db2.gz LJWFXUGXOAFCOQ-QWHCGFSZSA-N 0 3 293.367 1.482 10 5 CDBEHN C[C@H]1CN2CCC[C@H]2CN1c1ncc([N+](=O)[O-])s1 ZINC000249300490 392945554 /nfs/dbraw/zinc/94/55/54/392945554.db2.gz RYQZOTADHJCTPE-IUCAKERBSA-N 0 3 268.342 1.724 10 5 CDBEHN CC[C@H](NC[C@](C)(O)C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000343759736 152292915 /nfs/dbraw/zinc/29/29/15/152292915.db2.gz IFGDGYGZFPEGBD-JSGCOSHPSA-N 0 3 296.323 1.560 10 5 CDBEHN CC[C@@H](N)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037029837 172895681 /nfs/dbraw/zinc/89/56/81/172895681.db2.gz SINONKWALZXLEG-MRVPVSSYSA-N 0 3 257.677 1.924 10 5 CDBEHN CN[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300215 175001022 /nfs/dbraw/zinc/00/10/22/175001022.db2.gz MQBWUNSYTJRFMS-ZYHUDNBSSA-N 0 3 284.337 1.290 10 5 CDBEHN CCN[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000043300918 175001350 /nfs/dbraw/zinc/00/13/50/175001350.db2.gz GCKJDHUEZFKMCX-MFKMUULPSA-N 0 3 298.364 1.680 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1N1CC[C@@H](NC2CC2)C1=O ZINC000071042988 176029246 /nfs/dbraw/zinc/02/92/46/176029246.db2.gz NRQZGMMVFVFVID-LLVKDONJSA-N 0 3 291.307 1.461 10 5 CDBEHN CN(C[C@H]1CCN(C)C1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000071189329 176064576 /nfs/dbraw/zinc/06/45/76/176064576.db2.gz YZTUYGLEQDTAEM-JTQLQIEISA-N 0 3 295.314 1.758 10 5 CDBEHN CN1CC[C@@H]2OCCN(Cc3csc([N+](=O)[O-])c3)[C@H]2C1 ZINC000284643675 277154518 /nfs/dbraw/zinc/15/45/18/277154518.db2.gz OESMFECOWFICQQ-RYUDHWBXSA-N 0 3 297.380 1.561 10 5 CDBEHN CNCc1cnn(CCc2ccccc2[N+](=O)[O-])c1 ZINC000062727341 522149320 /nfs/dbraw/zinc/14/93/20/522149320.db2.gz DJOALGSDJHJSQI-UHFFFAOYSA-N 0 3 260.297 1.753 10 5 CDBEHN CN[C@](C)(C[C@@H](C)Oc1ccc([N+](=O)[O-])cc1F)C(N)=O ZINC000068651461 522519545 /nfs/dbraw/zinc/51/95/45/522519545.db2.gz OFYOSEKUGUMSPG-AMIZOPFISA-N 0 3 299.302 1.355 10 5 CDBEHN CN[C@](C)(C[C@@H](C)Oc1ccc(C)cc1[N+](=O)[O-])C(N)=O ZINC000068652105 522521043 /nfs/dbraw/zinc/52/10/43/522521043.db2.gz KUVCFNFBUYCESX-QMTHXVAHSA-N 0 3 295.339 1.524 10 5 CDBEHN CC[C@@H](NCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000037010466 522834465 /nfs/dbraw/zinc/83/44/65/522834465.db2.gz VHASWOFGQWZTCU-OAHLLOKOSA-N 0 3 293.367 1.968 10 5 CDBEHN NCc1cc([N+](=O)[O-])ccc1OCCn1cccn1 ZINC000049313766 527250773 /nfs/dbraw/zinc/25/07/73/527250773.db2.gz SDHVLHZLEGLZMQ-UHFFFAOYSA-N 0 3 262.269 1.329 10 5 CDBEHN NCc1ccc([N+](=O)[O-])c(O[C@H]2CCC[C@H]2O)c1 ZINC000050516324 527258859 /nfs/dbraw/zinc/25/88/59/527258859.db2.gz NSDCBJOVMWJVEH-MNOVXSKESA-N 0 3 252.270 1.346 10 5 CDBEHN Cn1nnnc1CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000771877625 575631505 /nfs/dbraw/zinc/63/15/05/575631505.db2.gz QCYJIQLYRWRYBP-UHFFFAOYSA-N 0 3 296.718 1.104 10 5 CDBEHN CCc1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813101867 617342131 /nfs/dbraw/zinc/34/21/31/617342131.db2.gz KIACTWXTFPFHTI-ZCFIWIBFSA-N 0 3 258.299 1.836 10 5 CDBEHN Cc1cccc(OCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813105045 617343138 /nfs/dbraw/zinc/34/31/38/617343138.db2.gz UMABKBOWVOVMKV-SNVBAGLBSA-N 0 3 253.254 1.582 10 5 CDBEHN CC(COC(=O)c1ccnc(OCC(F)F)c1)[N+](=O)[O-] ZINC000813112951 617347147 /nfs/dbraw/zinc/34/71/47/617347147.db2.gz MNOMNKWOFVVMHR-ZETCQYMHSA-N 0 3 290.222 1.548 10 5 CDBEHN CC(COC(=O)[C@@H](C)Oc1ccccc1)[N+](=O)[O-] ZINC000139755104 677843971 /nfs/dbraw/zinc/84/39/71/677843971.db2.gz HFQGKEJNMRRORU-VHSXEESVSA-N 0 3 253.254 1.662 10 5 CDBEHN COC(=O)COc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813107846 677892464 /nfs/dbraw/zinc/89/24/64/677892464.db2.gz XWFRTLPNKNOCMJ-VIFPVBQESA-N 0 3 297.263 1.060 10 5 CDBEHN CC(COC(=O)c1cc(F)cc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813114689 678125910 /nfs/dbraw/zinc/12/59/10/678125910.db2.gz FZWXKMPHIXTGAM-LURJTMIESA-N 0 3 272.188 1.556 10 5 CDBEHN COC(=O)c1ccccc1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813104300 677825161 /nfs/dbraw/zinc/82/51/61/677825161.db2.gz LYESHEYRVVTGQF-SNVBAGLBSA-N 0 3 295.291 1.614 10 5 CDBEHN CC(COC(=O)c1ccc(C(=O)N(C)C)cc1)[N+](=O)[O-] ZINC000813112445 678699893 /nfs/dbraw/zinc/69/98/93/678699893.db2.gz QAMBCGLZSZQPJY-VIFPVBQESA-N 0 3 280.280 1.210 10 5 CDBEHN CC(COC(=O)c1cccn1Cc1ccncc1)[N+](=O)[O-] ZINC000813100062 678773037 /nfs/dbraw/zinc/77/30/37/678773037.db2.gz LFKKKNICIRRDIO-NSHDSACASA-N 0 3 289.291 1.753 10 5 CDBEHN CC[S@](=O)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788591999 678805447 /nfs/dbraw/zinc/80/54/47/678805447.db2.gz JTPDPFFAIHIXNG-HOGDKLEQSA-N 0 3 285.369 1.596 10 5 CDBEHN CNC(=O)[C@H]1CCC[C@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000787994224 678948129 /nfs/dbraw/zinc/94/81/29/678948129.db2.gz DFSPGNULPMYRCZ-NWDGAFQWSA-N 0 3 295.314 1.738 10 5 CDBEHN CC(COC(=O)[C@H](C)Oc1ccccc1)[N+](=O)[O-] ZINC000139755498 679028236 /nfs/dbraw/zinc/02/82/36/679028236.db2.gz HFQGKEJNMRRORU-ZJUUUORDSA-N 0 3 253.254 1.662 10 5 CDBEHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1[C@H]1CCOC1 ZINC000860776669 679040676 /nfs/dbraw/zinc/04/06/76/679040676.db2.gz GODHMNHKDGHACW-JQWIXIFHSA-N 0 3 296.323 1.888 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(C)[C@H]2C)n1 ZINC000719627497 679164188 /nfs/dbraw/zinc/16/41/88/679164188.db2.gz VNDMXSQWDWNTKR-VHSXEESVSA-N 0 3 250.302 1.803 10 5 CDBEHN COCCC(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001691239147 1158970812 /nfs/dbraw/zinc/97/08/12/1158970812.db2.gz JSPALTWQMVKBFS-UHFFFAOYSA-N 0 3 295.339 1.179 10 5 CDBEHN Cc1nc([C@H]2CCN(Cc3cccnc3[N+](=O)[O-])C2)n[nH]1 ZINC001643450656 1167252008 /nfs/dbraw/zinc/25/20/08/1167252008.db2.gz ZRGWAYFZCRRBBR-JTQLQIEISA-N 0 3 288.311 1.406 10 5 CDBEHN Cc1nnc([C@H]2CCN(Cc3cccnc3[N+](=O)[O-])C2)[nH]1 ZINC001643450656 1167252013 /nfs/dbraw/zinc/25/20/13/1167252013.db2.gz ZRGWAYFZCRRBBR-JTQLQIEISA-N 0 3 288.311 1.406 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@H](CCO)C2CC2)c(F)c1 ZINC001645194480 1167374342 /nfs/dbraw/zinc/37/43/42/1167374342.db2.gz ZUJQXCGAWOAGHU-CYBMUJFWSA-N 0 3 268.288 1.985 10 5 CDBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CCN(C)C ZINC001445072278 966090278 /nfs/dbraw/zinc/09/02/78/966090278.db2.gz FFDDWTZOZBUTCG-UHFFFAOYSA-N 0 3 295.339 1.627 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CCC(=O)N(C)C1 ZINC000600178222 341983413 /nfs/dbraw/zinc/98/34/13/341983413.db2.gz HXYNBUQPVMAQOT-CQSZACIVSA-N 0 3 291.351 1.956 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590046944 342520922 /nfs/dbraw/zinc/52/09/22/342520922.db2.gz OSEPGRQBJOGYPG-OCCSQVGLSA-N 0 3 289.335 1.300 10 5 CDBEHN CN1CCc2[nH]nc(-c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000082807655 178310384 /nfs/dbraw/zinc/31/03/84/178310384.db2.gz QTSROLQJOHUCIG-UHFFFAOYSA-N 0 3 258.281 1.973 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN[C@H]1C[C@H](O)C12CCC2 ZINC000594988785 342994007 /nfs/dbraw/zinc/99/40/07/342994007.db2.gz RPIVQQSEJIUOIE-STQMWFEESA-N 0 3 262.309 1.988 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CCC(=O)N1 ZINC000595089266 343003198 /nfs/dbraw/zinc/00/31/98/343003198.db2.gz GOEFVQZOKBMVGI-MNOVXSKESA-N 0 3 277.324 1.832 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN(C[C@@H]1CNCCO1)C1CC1 ZINC000595893573 343182805 /nfs/dbraw/zinc/18/28/05/343182805.db2.gz SHLFBWHNSNEJEZ-AWEZNQCLSA-N 0 3 291.351 1.548 10 5 CDBEHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)O1 ZINC000595781428 343154203 /nfs/dbraw/zinc/15/42/03/343154203.db2.gz SSEPCTCUGNALHW-NEPJUHHUSA-N 0 3 295.339 1.256 10 5 CDBEHN C[C@@H]1CCCCN1CCNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596075358 343226316 /nfs/dbraw/zinc/22/63/16/343226316.db2.gz HOXKKPJCYCGAHJ-SNVBAGLBSA-N 0 3 279.344 1.280 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC1([C@H](C)O)CC1 ZINC000597234632 343489897 /nfs/dbraw/zinc/48/98/97/343489897.db2.gz LXDPYWDXCALTOB-JTQLQIEISA-N 0 3 250.298 1.906 10 5 CDBEHN Cc1c(CN2CCO[C@@H](CN(C)C)C2)cccc1[N+](=O)[O-] ZINC000105924659 186091627 /nfs/dbraw/zinc/09/16/27/186091627.db2.gz BJHOOLHFRMAMKL-AWEZNQCLSA-N 0 3 293.367 1.666 10 5 CDBEHN COc1cc(NC[C@@H]2CNCCO2)c([N+](=O)[O-])cc1C ZINC000312858039 350796313 /nfs/dbraw/zinc/79/63/13/350796313.db2.gz YYEWLWKNEFPSFY-JTQLQIEISA-N 0 3 281.312 1.312 10 5 CDBEHN NC(=O)C[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000330979277 359210437 /nfs/dbraw/zinc/21/04/37/359210437.db2.gz GGXAEUZTLHCRRB-JTQLQIEISA-N 0 3 281.316 1.571 10 5 CDBEHN CN1CCC(Nc2ccc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000301707142 201150821 /nfs/dbraw/zinc/15/08/21/201150821.db2.gz BWBMPEJPWTZKPZ-UHFFFAOYSA-N 0 3 278.312 1.200 10 5 CDBEHN O=[N+]([O-])c1cc(CNC[C@H]2CCC[C@@H]2O)cs1 ZINC000089162678 370230019 /nfs/dbraw/zinc/23/00/19/370230019.db2.gz LLODWECMUGJEAI-ZJUUUORDSA-N 0 3 256.327 1.907 10 5 CDBEHN C[C@@]12CCN(CCn3cc([N+](=O)[O-])cn3)C[C@@H]1C2(F)F ZINC000298365101 373513526 /nfs/dbraw/zinc/51/35/26/373513526.db2.gz UOMDRWGIGRNMAQ-WDEREUQCSA-N 0 3 286.282 1.768 10 5 CDBEHN C[C@H]1COCC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000277557241 374794043 /nfs/dbraw/zinc/79/40/43/374794043.db2.gz TXUWZGXBESIQGX-WDEREUQCSA-N 0 3 293.323 1.548 10 5 CDBEHN O=C(c1cccc([N+](=O)[O-])c1)N1CCN2CCC[C@H]2C1 ZINC000049515908 375453872 /nfs/dbraw/zinc/45/38/72/375453872.db2.gz VFKIWUNECRRJRJ-ZDUSSCGKSA-N 0 3 275.308 1.515 10 5 CDBEHN O=C(c1ccccc1[N+](=O)[O-])N1CCN2CCC[C@@H]2C1 ZINC000049515905 375454314 /nfs/dbraw/zinc/45/43/14/375454314.db2.gz NWMFYJBPVQZPMV-LLVKDONJSA-N 0 3 275.308 1.515 10 5 CDBEHN COC[C@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000227712397 375597171 /nfs/dbraw/zinc/59/71/71/375597171.db2.gz ZYYFIIHFNCZKGS-MFKMUULPSA-N 0 3 268.313 1.907 10 5 CDBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCN(C)C ZINC000279088769 194277934 /nfs/dbraw/zinc/27/79/34/194277934.db2.gz QSPBABWMCIAKQS-UHFFFAOYSA-N 0 3 285.731 1.848 10 5 CDBEHN CC[C@@H](CO)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000451157132 390602407 /nfs/dbraw/zinc/60/24/07/390602407.db2.gz HDAFDOWIIPULPD-NSHDSACASA-N 0 3 268.313 1.806 10 5 CDBEHN CC[C@H](NCCC(=O)NC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000411470846 390966804 /nfs/dbraw/zinc/96/68/04/390966804.db2.gz CTMUCGMIXPNUFL-NSHDSACASA-N 0 3 294.311 1.221 10 5 CDBEHN CCN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532139232 393067667 /nfs/dbraw/zinc/06/76/67/393067667.db2.gz UOPNTISAEXSENQ-NSHDSACASA-N 0 3 292.339 1.594 10 5 CDBEHN Cc1cc(C(=O)N2CCN3CCC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000195338584 140154200 /nfs/dbraw/zinc/15/42/00/140154200.db2.gz KLOQBOFBUAFYKC-CYBMUJFWSA-N 0 3 289.335 1.823 10 5 CDBEHN Cc1cc(C)c([N+](=O)[O-])c(NCCOCCN(C)C)n1 ZINC000359241916 158179641 /nfs/dbraw/zinc/17/96/41/158179641.db2.gz MBQXTVBDCDTAOK-UHFFFAOYSA-N 0 3 282.344 1.597 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000362456914 159152913 /nfs/dbraw/zinc/15/29/13/159152913.db2.gz XOGFRFKIYVGDMA-YPMHNXCESA-N 0 3 280.328 1.292 10 5 CDBEHN C[C@H](N[C@H]1CCC(=O)N(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284311407 196027090 /nfs/dbraw/zinc/02/70/90/196027090.db2.gz ZGZFQXMUCPJXND-ONGXEEELSA-N 0 3 292.339 1.448 10 5 CDBEHN CO[C@H]1C[C@@H](CN(C)c2ncc(C)cc2[N+](=O)[O-])N(C)C1 ZINC000284650572 196103268 /nfs/dbraw/zinc/10/32/68/196103268.db2.gz WSKAXAXPDOTRIR-RYUDHWBXSA-N 0 3 294.355 1.454 10 5 CDBEHN NCc1cc([N+](=O)[O-])ccc1OCC(F)(F)F ZINC000035414579 172188252 /nfs/dbraw/zinc/18/82/52/172188252.db2.gz YTEQCBOXTBXWTF-UHFFFAOYSA-N 0 3 250.176 1.995 10 5 CDBEHN CC(C)N(C)C(=O)CNCCc1ccc([N+](=O)[O-])cc1 ZINC000040676159 174373657 /nfs/dbraw/zinc/37/36/57/174373657.db2.gz OOITXIDXUJEWCB-UHFFFAOYSA-N 0 3 279.340 1.594 10 5 CDBEHN CCN(CC)CCn1c(C)c([N+](=O)[O-])ccc1=O ZINC000071526799 176194402 /nfs/dbraw/zinc/19/44/02/176194402.db2.gz VNELGXQWVOVMFU-UHFFFAOYSA-N 0 3 253.302 1.407 10 5 CDBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000247081972 288312288 /nfs/dbraw/zinc/31/22/88/288312288.db2.gz HWVYQMQQMPJAHV-RISCZKNCSA-N 0 3 289.335 1.904 10 5 CDBEHN CCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531628613 281810411 /nfs/dbraw/zinc/81/04/11/281810411.db2.gz PXCVHAUKMZTLJU-UHFFFAOYSA-N 0 3 280.328 1.404 10 5 CDBEHN CC(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)N(C)C ZINC000569171067 294169195 /nfs/dbraw/zinc/16/91/95/294169195.db2.gz QVTVOTKBVVBTOL-LBPRGKRZSA-N 0 3 294.355 1.696 10 5 CDBEHN CC(C)(C)[C@H](N)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000577374760 317317397 /nfs/dbraw/zinc/31/73/97/317317397.db2.gz JWZNUDNZHBDTJT-GFCCVEGCSA-N 0 3 292.339 1.248 10 5 CDBEHN CCCN[C@H](COc1cccc(C)c1[N+](=O)[O-])C(N)=O ZINC000045464269 520084420 /nfs/dbraw/zinc/08/44/20/520084420.db2.gz IRDAPHIDXLHRGH-SNVBAGLBSA-N 0 3 281.312 1.136 10 5 CDBEHN CCN[C@](COc1cccc([N+](=O)[O-])c1)(C(N)=O)C1CC1 ZINC000069194120 520251218 /nfs/dbraw/zinc/25/12/18/520251218.db2.gz JTHYBEMPKDSVBP-AWEZNQCLSA-N 0 3 293.323 1.217 10 5 CDBEHN CCNC(=O)[C@@H](C)Oc1cc(CNC)ccc1[N+](=O)[O-] ZINC000050516821 521743920 /nfs/dbraw/zinc/74/39/20/521743920.db2.gz DYNXYGPEKLTKHO-SECBINFHSA-N 0 3 281.312 1.218 10 5 CDBEHN CN(C)C[C@@H]1CCCN1C(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000061644492 521836148 /nfs/dbraw/zinc/83/61/48/521836148.db2.gz MCTNJCNXUGNOQN-NSHDSACASA-N 0 3 295.314 1.900 10 5 CDBEHN CNC(C)(C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000061316146 521946121 /nfs/dbraw/zinc/94/61/21/521946121.db2.gz FULQOKKBMIEQIB-UHFFFAOYSA-N 0 3 251.286 1.840 10 5 CDBEHN CC[C@@H](C)NC(=O)[C@H](C)Oc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516486 522208639 /nfs/dbraw/zinc/20/86/39/522208639.db2.gz RZLDJAQRINOGDZ-ZJUUUORDSA-N 0 3 295.339 1.736 10 5 CDBEHN CN[C@@](C)(C[C@@H](C)Oc1cc(C)ccc1[N+](=O)[O-])C(N)=O ZINC000068651070 522417505 /nfs/dbraw/zinc/41/75/05/522417505.db2.gz DSGAHJQJWIQMDC-YGRLFVJLSA-N 0 3 295.339 1.524 10 5 CDBEHN COC[C@H](O)COc1ccc(CNC(C)C)cc1[N+](=O)[O-] ZINC000069053443 522808910 /nfs/dbraw/zinc/80/89/10/522808910.db2.gz KWXYYGIUTTXNEB-LBPRGKRZSA-N 0 3 298.339 1.479 10 5 CDBEHN COCCN(C)CCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000061379640 523616831 /nfs/dbraw/zinc/61/68/31/523616831.db2.gz YCOMLLNGTQJZDE-UHFFFAOYSA-N 0 3 295.299 1.121 10 5 CDBEHN C[C@H](CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050709752 524313436 /nfs/dbraw/zinc/31/34/36/524313436.db2.gz JZZBPVRIWAVQKI-SNVBAGLBSA-N 0 3 292.339 1.391 10 5 CDBEHN C[C@@H](CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050709751 524590982 /nfs/dbraw/zinc/59/09/82/524590982.db2.gz JZZBPVRIWAVQKI-JTQLQIEISA-N 0 3 292.339 1.391 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(OCC[C@H](NC(C)C)C(N)=O)c1 ZINC000062539894 526064587 /nfs/dbraw/zinc/06/45/87/526064587.db2.gz KUCZSUPZPHPUDT-NSHDSACASA-N 0 3 295.339 1.524 10 5 CDBEHN NCc1cc([N+](=O)[O-])ccc1OC1CCOCC1 ZINC000069288946 527250018 /nfs/dbraw/zinc/25/00/18/527250018.db2.gz MUWJIIPIGFWUER-UHFFFAOYSA-N 0 3 252.270 1.611 10 5 CDBEHN COc1ccc(F)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813101626 679838185 /nfs/dbraw/zinc/83/81/85/679838185.db2.gz FTRNTWFXOACUNA-ZETCQYMHSA-N 0 3 257.217 1.656 10 5 CDBEHN CCOC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])nc1C ZINC000813103989 617342545 /nfs/dbraw/zinc/34/25/45/617342545.db2.gz VSAVLODHWOYXLK-QMMMGPOBSA-N 0 3 296.279 1.389 10 5 CDBEHN Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928453789 619118895 /nfs/dbraw/zinc/11/88/95/619118895.db2.gz LHOPXZGAPDWVOA-ZYHUDNBSSA-N 0 3 277.324 1.726 10 5 CDBEHN CC(COC(=O)c1cn(C)nc1C(C)(C)C)[N+](=O)[O-] ZINC000813102886 679711250 /nfs/dbraw/zinc/71/12/50/679711250.db2.gz KYQLUDGAMNKLDG-MRVPVSSYSA-N 0 3 269.301 1.540 10 5 CDBEHN CC(COC(=O)CN(C)c1ccccc1)[N+](=O)[O-] ZINC000813102978 679713456 /nfs/dbraw/zinc/71/34/56/679713456.db2.gz WZFNVNGTXSMVGO-JTQLQIEISA-N 0 3 252.270 1.331 10 5 CDBEHN CC(COC(=O)[C@H](C)Oc1ccc(F)c(F)c1)[N+](=O)[O-] ZINC000813109087 679767530 /nfs/dbraw/zinc/76/75/30/679767530.db2.gz OEBNHXYIZGRYNV-SFYZADRCSA-N 0 3 289.234 1.941 10 5 CDBEHN C/C(=C\c1cccnc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000847713741 679768041 /nfs/dbraw/zinc/76/80/41/679768041.db2.gz AGCFEZDLTSPXLV-ZKXNXJMVSA-N 0 3 250.254 1.693 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928438526 679739350 /nfs/dbraw/zinc/73/93/50/679739350.db2.gz FXRODTVRAYXNQI-CABZTGNLSA-N 0 3 293.323 1.426 10 5 CDBEHN C[C@H]1[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCN1C ZINC000928437327 679857417 /nfs/dbraw/zinc/85/74/17/679857417.db2.gz BYEZPJVWDHJITB-UFBFGSQYSA-N 0 3 281.287 1.556 10 5 CDBEHN CCOc1nc(C)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108814 681841068 /nfs/dbraw/zinc/84/10/68/681841068.db2.gz AUBDTNNTHGYKLH-VIFPVBQESA-N 0 3 268.269 1.611 10 5 CDBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](CO)C2CC2)c1 ZINC000844320056 682438215 /nfs/dbraw/zinc/43/82/15/682438215.db2.gz ZBACTAZCUHNGBQ-GFCCVEGCSA-N 0 3 294.307 1.242 10 5 CDBEHN CC(COC(=O)Cn1ncc2ccccc21)[N+](=O)[O-] ZINC000813114382 682570568 /nfs/dbraw/zinc/57/05/68/682570568.db2.gz QVTTUIIMNKJQTF-SECBINFHSA-N 0 3 263.253 1.245 10 5 CDBEHN CC(COC(=O)CCSc1ccccn1)[N+](=O)[O-] ZINC000813112389 682823689 /nfs/dbraw/zinc/82/36/89/682823689.db2.gz PRAPBEKKZKLLLY-VIFPVBQESA-N 0 3 270.310 1.772 10 5 CDBEHN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@H](C)N1 ZINC000856407805 682842007 /nfs/dbraw/zinc/84/20/07/682842007.db2.gz BWDAJMQRUANFNX-VHSXEESVSA-N 0 3 295.314 1.946 10 5 CDBEHN Cc1nn(CC(F)F)c(C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813115027 683645230 /nfs/dbraw/zinc/64/52/30/683645230.db2.gz JBUJCNJIXFZGBW-ZCFIWIBFSA-N 0 3 291.254 1.587 10 5 CDBEHN CC(C)(F)CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000872217576 683955959 /nfs/dbraw/zinc/95/59/59/683955959.db2.gz ZYSDIKSXPHMKCW-NSHDSACASA-N 0 3 256.277 1.966 10 5 CDBEHN CCN(C)[C@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813104420 684100151 /nfs/dbraw/zinc/10/01/51/684100151.db2.gz CHGIPQGISLOARY-AAEUAGOBSA-N 0 3 280.324 1.888 10 5 CDBEHN Cc1cc(C)cc(OCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813105190 684124655 /nfs/dbraw/zinc/12/46/55/684124655.db2.gz KFWASOUTURIWMU-LLVKDONJSA-N 0 3 267.281 1.891 10 5 CDBEHN C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1=CCN(C)CC1 ZINC001638358490 1166840610 /nfs/dbraw/zinc/84/06/10/1166840610.db2.gz ODYNQUNKQKPOLZ-LLVKDONJSA-N 0 3 283.372 1.589 10 5 CDBEHN CN(CCO)CCN(C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000691354998 920157422 /nfs/dbraw/zinc/15/74/22/920157422.db2.gz LDVYJZNZMPBXJW-UHFFFAOYSA-N 0 3 287.747 1.609 10 5 CDBEHN Cn1cc([N+](=O)[O-])c(N2CCN(CCC(C)(C)C)CC2)n1 ZINC001559077567 965399305 /nfs/dbraw/zinc/39/93/05/965399305.db2.gz XPLXSYLNFBUEQE-UHFFFAOYSA-N 0 3 295.387 1.887 10 5 CDBEHN CC[C@H](NC[C@@H](O)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC001653099375 1171503098 /nfs/dbraw/zinc/50/30/98/1171503098.db2.gz KAVXGIWHLITJOO-QWHCGFSZSA-N 0 3 282.340 1.767 10 5 CDBEHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC1COCCOC1)CCC2 ZINC000589950187 342517706 /nfs/dbraw/zinc/51/77/06/342517706.db2.gz XOZBODCLKMGZJZ-OAHLLOKOSA-N 0 3 292.335 1.977 10 5 CDBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)[C@H](C)CO)c1 ZINC000589506811 342508099 /nfs/dbraw/zinc/50/80/99/342508099.db2.gz WCGSDQPGDRUTLR-ZJUUUORDSA-N 0 3 296.323 1.488 10 5 CDBEHN Cc1cc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590441689 342546113 /nfs/dbraw/zinc/54/61/13/342546113.db2.gz DGZDBUNQRCVKAA-JSGCOSHPSA-N 0 3 289.335 1.679 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590444960 342546672 /nfs/dbraw/zinc/54/66/72/342546672.db2.gz OMLKSOBDZMXQOF-DGCLKSJQSA-N 0 3 275.308 1.371 10 5 CDBEHN O=[N+]([O-])c1ccccc1CCNC[C@@H](O)C(F)(F)F ZINC000236535347 342054968 /nfs/dbraw/zinc/05/49/68/342054968.db2.gz OIKDUXOIOHWDJI-SNVBAGLBSA-N 0 3 278.230 1.650 10 5 CDBEHN O=C(NC[C@@H]1CCN1C1CCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000600472398 342215518 /nfs/dbraw/zinc/21/55/18/342215518.db2.gz XKOVCABGCAVSII-JTQLQIEISA-N 0 3 293.327 1.065 10 5 CDBEHN COC[C@@H](CN(C)CCc1cccc([N+](=O)[O-])c1)OC ZINC000595476736 343064416 /nfs/dbraw/zinc/06/44/16/343064416.db2.gz OFPLPNHTRMIWLU-CQSZACIVSA-N 0 3 282.340 1.731 10 5 CDBEHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CNCCO1 ZINC000595892945 343182239 /nfs/dbraw/zinc/18/22/39/343182239.db2.gz SKZPHGFFGGSPCM-OAHLLOKOSA-N 0 3 293.367 1.794 10 5 CDBEHN C[C@]1(F)CNCCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596014102 343218728 /nfs/dbraw/zinc/21/87/28/343218728.db2.gz NFXCTPDDUCBKTA-NSHDSACASA-N 0 3 288.710 1.781 10 5 CDBEHN C[C@@H]1CCCC[N@@H+]1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596076854 343226929 /nfs/dbraw/zinc/22/69/29/343226929.db2.gz QOLXRRANWWCXSN-SNVBAGLBSA-N 0 3 280.328 1.982 10 5 CDBEHN C[C@@H]1CCCC[N@H+]1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596076854 343226930 /nfs/dbraw/zinc/22/69/30/343226930.db2.gz QOLXRRANWWCXSN-SNVBAGLBSA-N 0 3 280.328 1.982 10 5 CDBEHN Cc1ccc(CN2CC[C@@H](F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000596105230 343228533 /nfs/dbraw/zinc/22/85/33/343228533.db2.gz HPNDWUXUEZELJI-VXGBXAGGSA-N 0 3 267.304 1.774 10 5 CDBEHN Cc1c([C@@H](C)N[C@H]2C[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000599070952 343948985 /nfs/dbraw/zinc/94/89/85/343948985.db2.gz NDRUCHZOVYBRHL-GMTAPVOTSA-N 0 3 277.324 1.818 10 5 CDBEHN Cn1cc(CCNC(C)(C)c2ccccc2[N+](=O)[O-])nn1 ZINC000599426066 344054344 /nfs/dbraw/zinc/05/43/44/344054344.db2.gz WRDUJYCAOCJSCR-UHFFFAOYSA-N 0 3 289.339 1.791 10 5 CDBEHN Cn1cnc([N+](=O)[O-])c1NC1CC(N2CCCCC2)C1 ZINC000360101952 356745076 /nfs/dbraw/zinc/74/50/76/356745076.db2.gz OELKETRTNWQWPV-UHFFFAOYSA-N 0 3 279.344 1.757 10 5 CDBEHN CN1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)[C@@H]2C1 ZINC000408146800 358184269 /nfs/dbraw/zinc/18/42/69/358184269.db2.gz VHJOBKMISZHFQC-JOYOIKCWSA-N 0 3 278.312 1.089 10 5 CDBEHN O=[N+]([O-])c1cccc(CNC[C@@H](CO)c2cccnc2)c1 ZINC000342300365 358991453 /nfs/dbraw/zinc/99/14/53/358991453.db2.gz SZMCYSCSMVVRSH-AWEZNQCLSA-N 0 3 287.319 1.856 10 5 CDBEHN CCN1CC[C@@H](Nc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000389341969 358996552 /nfs/dbraw/zinc/99/65/52/358996552.db2.gz JJKVVZXDBQFRRV-SNVBAGLBSA-N 0 3 250.302 1.804 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CCC[C@]3(CCOC3)C2)n1 ZINC000451909859 359378919 /nfs/dbraw/zinc/37/89/19/359378919.db2.gz XRHVAGKRHZXCKA-ZDUSSCGKSA-N 0 3 280.328 1.294 10 5 CDBEHN CN(C[C@H]1CCCN1C)c1ccc([N+](=O)[O-])nc1 ZINC000420635794 244300641 /nfs/dbraw/zinc/30/06/41/244300641.db2.gz MHCDJNYYJZLFQH-LLVKDONJSA-N 0 3 250.302 1.520 10 5 CDBEHN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN2CCC1CC2 ZINC000190888311 373412743 /nfs/dbraw/zinc/41/27/43/373412743.db2.gz UWZUIDBADAKJIH-UHFFFAOYSA-N 0 3 290.323 1.907 10 5 CDBEHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000094466978 374836529 /nfs/dbraw/zinc/83/65/29/374836529.db2.gz NTJJNDQHPPUSKT-LLVKDONJSA-N 0 3 290.323 1.097 10 5 CDBEHN CN(CCN(C)C1CC1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302251023 375183572 /nfs/dbraw/zinc/18/35/72/375183572.db2.gz MZPUBNSCLASVCQ-UHFFFAOYSA-N 0 3 290.327 1.168 10 5 CDBEHN CC(C)N1C(=O)CC[C@H](N)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000070986772 184574321 /nfs/dbraw/zinc/57/43/21/184574321.db2.gz VIWSVFPOKAELQP-FZMZJTMJSA-N 0 3 277.324 1.994 10 5 CDBEHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCCN1C ZINC000288145549 197013351 /nfs/dbraw/zinc/01/33/51/197013351.db2.gz NRLZVPXICYLJRA-JTQLQIEISA-N 0 3 267.333 1.626 10 5 CDBEHN CCC[C@@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC ZINC000081942374 177905132 /nfs/dbraw/zinc/90/51/32/177905132.db2.gz MODBWNXPOJEZDI-JTQLQIEISA-N 0 3 286.353 1.757 10 5 CDBEHN C[C@H]1CN(CCCNc2ccc([N+](=O)[O-])nc2)CCCO1 ZINC000432873865 390492465 /nfs/dbraw/zinc/49/24/65/390492465.db2.gz UXBVFUCWKJPYOK-LBPRGKRZSA-N 0 3 294.355 1.903 10 5 CDBEHN CC(=O)[C@@](C)(O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000450932250 390580350 /nfs/dbraw/zinc/58/03/50/390580350.db2.gz CEARISWHRUGKHT-AWEZNQCLSA-N 0 3 280.324 1.409 10 5 CDBEHN C[C@H]1OCC[C@@H]1N(CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000361558853 390868669 /nfs/dbraw/zinc/86/86/69/390868669.db2.gz YVKPJUHEJCRPQN-DOMZBBRYSA-N 0 3 294.351 1.609 10 5 CDBEHN CNC(=O)[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000420963164 392922675 /nfs/dbraw/zinc/92/26/75/392922675.db2.gz MRIQFXNTUKBTKQ-LLVKDONJSA-N 0 3 263.297 1.163 10 5 CDBEHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532397372 393072439 /nfs/dbraw/zinc/07/24/39/393072439.db2.gz QWTPUNURMBTYQJ-NOZJJQNGSA-N 0 3 290.323 1.202 10 5 CDBEHN C[C@@H]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000532398125 393072456 /nfs/dbraw/zinc/07/24/56/393072456.db2.gz RCKGQUSMNNNTKG-SNVBAGLBSA-N 0 3 278.312 1.061 10 5 CDBEHN COc1cc(CNC(C)(C)CC(N)=O)ccc1[N+](=O)[O-] ZINC000348877268 154002091 /nfs/dbraw/zinc/00/20/91/154002091.db2.gz OWZVHPMMSJBXPV-UHFFFAOYSA-N 0 3 281.312 1.347 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H](O)C1CC1 ZINC000348962075 154015368 /nfs/dbraw/zinc/01/53/68/154015368.db2.gz GRUUJFBMPVTRET-CYBMUJFWSA-N 0 3 250.298 1.764 10 5 CDBEHN CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000040633263 174359606 /nfs/dbraw/zinc/35/96/06/174359606.db2.gz LNVRUGQRJMMUNP-WCBMZHEXSA-N 0 3 283.259 1.049 10 5 CDBEHN CCCN[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1=O ZINC000071036995 176025976 /nfs/dbraw/zinc/02/59/76/176025976.db2.gz GECDYKSJGLMEDY-LLVKDONJSA-N 0 3 281.287 1.839 10 5 CDBEHN CCCN[C@@H]1CCN(c2ccc(F)c([N+](=O)[O-])c2)C1=O ZINC000071039946 176027063 /nfs/dbraw/zinc/02/70/63/176027063.db2.gz PHXHWLBWRWXRLS-LLVKDONJSA-N 0 3 281.287 1.839 10 5 CDBEHN CCN[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000071042410 176028793 /nfs/dbraw/zinc/02/87/93/176028793.db2.gz IPDONITZZPPEIH-GFCCVEGCSA-N 0 3 263.297 1.305 10 5 CDBEHN CN(C[C@H]1CCN(C)C1)c1ncnc(Cl)c1[N+](=O)[O-] ZINC000071192660 176074659 /nfs/dbraw/zinc/07/46/59/176074659.db2.gz MSKVOJWQOHYQBX-QMMMGPOBSA-N 0 3 285.735 1.426 10 5 CDBEHN C[C@H]1CN(CCNCc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000071792515 176263276 /nfs/dbraw/zinc/26/32/76/176263276.db2.gz XHEPQRQZKNEKRB-STQMWFEESA-N 0 3 293.367 1.794 10 5 CDBEHN CNC(=O)[C@@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000420968164 277244785 /nfs/dbraw/zinc/24/47/85/277244785.db2.gz BJZCTFICXFEDRR-CMPLNLGQSA-N 0 3 277.324 1.724 10 5 CDBEHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@]2(CNC(=O)C2)C1 ZINC000278856087 278313382 /nfs/dbraw/zinc/31/33/82/278313382.db2.gz KRQBQJGPVAQHEN-IAQYHMDHSA-N 0 3 289.335 1.868 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](N(C)C)C2)n1 ZINC000178210355 281013509 /nfs/dbraw/zinc/01/35/09/281013509.db2.gz SEURPSSCJISHBE-JTQLQIEISA-N 0 3 250.302 1.439 10 5 CDBEHN CO[C@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000191711427 294335295 /nfs/dbraw/zinc/33/52/95/294335295.db2.gz CZHLPLSHCPCMKH-GARJFASQSA-N 0 3 295.339 1.935 10 5 CDBEHN C[C@@H](CO)[C@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000274051183 534147474 /nfs/dbraw/zinc/14/74/74/534147474.db2.gz PKHJYQGBSJDWPW-DCAQKATOSA-N 0 3 295.339 1.528 10 5 CDBEHN CCCN[C@](C)(COc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000045464549 517590137 /nfs/dbraw/zinc/59/01/37/517590137.db2.gz ULZJFVDPEYQMTR-CYBMUJFWSA-N 0 3 281.312 1.217 10 5 CDBEHN CN(C)C[C@@H]1CCCN1CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000061645770 521837383 /nfs/dbraw/zinc/83/73/83/521837383.db2.gz KHJCNIGPMHXLCB-AWEZNQCLSA-N 0 3 291.351 1.804 10 5 CDBEHN CN[C@@](C)(C[C@@H](C)Oc1ccccc1[N+](=O)[O-])C(N)=O ZINC000068650970 522417464 /nfs/dbraw/zinc/41/74/64/522417464.db2.gz JZHQCLFNKWLPJI-RNCFNFMXSA-N 0 3 281.312 1.216 10 5 CDBEHN CN(C)C(=O)CCCOc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516116 523978193 /nfs/dbraw/zinc/97/81/93/523978193.db2.gz YDMBZNRZADRDHB-UHFFFAOYSA-N 0 3 281.312 1.301 10 5 CDBEHN C[C@@H](Oc1ccc([N+](=O)[O-])cc1CNC(C)(C)C)C(N)=O ZINC000062732004 525934791 /nfs/dbraw/zinc/93/47/91/525934791.db2.gz SXPRAASBKIGREX-SECBINFHSA-N 0 3 295.339 1.736 10 5 CDBEHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC23CCOCC3)cc1 ZINC000766051620 576074948 /nfs/dbraw/zinc/07/49/48/576074948.db2.gz LRQBSULOXXFJQT-AWEZNQCLSA-N 0 3 292.335 1.883 10 5 CDBEHN CN(C)C[C@@H]1CCCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000757506429 577041150 /nfs/dbraw/zinc/04/11/50/577041150.db2.gz PGPGTVKESJXZMP-NSHDSACASA-N 0 3 289.339 1.773 10 5 CDBEHN CC(=O)NCc1ccc(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813103771 617342782 /nfs/dbraw/zinc/34/27/82/617342782.db2.gz SXDQSBOVPZEJKS-ZETCQYMHSA-N 0 3 286.309 1.206 10 5 CDBEHN CCCC[C@H](NC(=O)NCC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813111475 617346092 /nfs/dbraw/zinc/34/60/92/617346092.db2.gz IEACFPBKUVRSJP-UWVGGRQHSA-N 0 3 289.332 1.073 10 5 CDBEHN CCCOc1cccnc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813111752 617346414 /nfs/dbraw/zinc/34/64/14/617346414.db2.gz WSDMCSLNRMEBEX-SECBINFHSA-N 0 3 268.269 1.692 10 5 CDBEHN COc1ccc2c(c1)[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2 ZINC000813113930 617347623 /nfs/dbraw/zinc/34/76/23/617347623.db2.gz WLZHJQTWCNLCAW-CABZTGNLSA-N 0 3 279.292 1.933 10 5 CDBEHN CCC[C@@H]1C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CCO1 ZINC000813113925 617347663 /nfs/dbraw/zinc/34/76/63/617347663.db2.gz WLMWBJZFPXXGBJ-GARJFASQSA-N 0 3 259.302 1.790 10 5 CDBEHN CC(COC(=O)[C@H]1CSCCS1)[N+](=O)[O-] ZINC000813113989 617347681 /nfs/dbraw/zinc/34/76/81/617347681.db2.gz KTDCDUQFDLFTGZ-RNFRBKRXSA-N 0 3 251.329 1.043 10 5 CDBEHN CCc1noc(CCCC(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813115428 617349368 /nfs/dbraw/zinc/34/93/68/617349368.db2.gz RQSHCKHHGIMEBG-QMMMGPOBSA-N 0 3 271.273 1.163 10 5 CDBEHN CC(C)(O)C[C@@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000872199206 685578128 /nfs/dbraw/zinc/57/81/28/685578128.db2.gz LEKFJNAXKGJIDS-GFCCVEGCSA-N 0 3 268.313 1.206 10 5 CDBEHN Cc1cc(C)cc(OCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813105191 684404987 /nfs/dbraw/zinc/40/49/87/684404987.db2.gz KFWASOUTURIWMU-NSHDSACASA-N 0 3 267.281 1.891 10 5 CDBEHN CC(COC(=O)c1ccn(C2CCCC2)n1)[N+](=O)[O-] ZINC000813115136 684431604 /nfs/dbraw/zinc/43/16/04/684431604.db2.gz LASNFHDTDZJOGP-VIFPVBQESA-N 0 3 267.285 1.820 10 5 CDBEHN CC(COC(=O)Cc1ccc(-n2cccn2)cc1)[N+](=O)[O-] ZINC000813108211 684509215 /nfs/dbraw/zinc/50/92/15/684509215.db2.gz VQKDEPQRGJEFRO-LLVKDONJSA-N 0 3 289.291 1.623 10 5 CDBEHN CC(COC(=O)Cc1ccc2c(c1)COC2)[N+](=O)[O-] ZINC000813110948 684586636 /nfs/dbraw/zinc/58/66/36/684586636.db2.gz MTWIHDWMKRHJAJ-SECBINFHSA-N 0 3 265.265 1.468 10 5 CDBEHN C[C@@H](NC[C@H]1CNC(=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872079374 684860127 /nfs/dbraw/zinc/86/01/27/684860127.db2.gz MJHTYZSNSVSODT-BDAKNGLRSA-N 0 3 281.287 1.521 10 5 CDBEHN CC(C)C(=O)N1CCC(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813108391 684990825 /nfs/dbraw/zinc/99/08/25/684990825.db2.gz FSXMDAOTFFMCNV-JTQLQIEISA-N 0 3 286.328 1.089 10 5 CDBEHN C[C@@H]1CC[C@H](CO)N1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880441882 685877616 /nfs/dbraw/zinc/87/76/16/685877616.db2.gz KLVSHTQZMDHGIZ-LERXQTSPSA-N 0 3 280.324 1.473 10 5 CDBEHN C[C@@H]1C[C@H](CO)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000860086988 685882122 /nfs/dbraw/zinc/88/21/22/685882122.db2.gz AEIRTBRVJVZOLO-LALPHHSUSA-N 0 3 294.351 1.721 10 5 CDBEHN C[C@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000928454691 686277672 /nfs/dbraw/zinc/27/76/72/686277672.db2.gz CPBXSKXUHOOVIO-JOYOIKCWSA-N 0 3 263.297 1.417 10 5 CDBEHN CCc1nn(C)c(Cl)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108210 686612894 /nfs/dbraw/zinc/61/28/94/686612894.db2.gz VPLVZIXOIYDEFJ-ZCFIWIBFSA-N 0 3 275.692 1.458 10 5 CDBEHN CON(C)C(=O)CCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000808744244 686913669 /nfs/dbraw/zinc/91/36/69/686913669.db2.gz JLAYTKKRLHDUNH-SNVBAGLBSA-N 0 3 281.312 1.655 10 5 CDBEHN COC(=O)[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776279782 687151442 /nfs/dbraw/zinc/15/14/42/687151442.db2.gz YVFVPGMRVGEEMQ-YPMHNXCESA-N 0 3 294.307 1.123 10 5 CDBEHN CC(COC(=O)CO[C@H]1CCCC[C@H]1C)[N+](=O)[O-] ZINC000813114368 687313319 /nfs/dbraw/zinc/31/33/19/687313319.db2.gz AGOAMIQTMJKURV-VWYCJHECSA-N 0 3 259.302 1.790 10 5 CDBEHN C[C@H](NC[C@@H]1CNC(=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872079376 687671381 /nfs/dbraw/zinc/67/13/81/687671381.db2.gz MJHTYZSNSVSODT-DTWKUNHWSA-N 0 3 281.287 1.521 10 5 CDBEHN CC(=O)c1cc(C(=O)OCC(C)[N+](=O)[O-])cs1 ZINC000816091431 687857952 /nfs/dbraw/zinc/85/79/52/687857952.db2.gz WPOQXEHMRHBPLI-LURJTMIESA-N 0 3 257.267 1.773 10 5 CDBEHN CCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C)n2)C1 ZINC001642185845 1167158655 /nfs/dbraw/zinc/15/86/55/1167158655.db2.gz BBCHSXRKHDBJJF-NSHDSACASA-N 0 3 292.339 1.512 10 5 CDBEHN CN(C)CCN(C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001294236839 954479201 /nfs/dbraw/zinc/47/92/01/954479201.db2.gz VVCXWHIISPFRDV-UHFFFAOYSA-N 0 3 299.758 1.811 10 5 CDBEHN NC[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(F)(F)F ZINC000401662383 342588644 /nfs/dbraw/zinc/58/86/44/342588644.db2.gz YNXBKPFETVSVAS-RXMQYKEDSA-N 0 3 283.231 1.276 10 5 CDBEHN COc1cccc([N+](=O)[O-])c1N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000565227519 365615754 /nfs/dbraw/zinc/61/57/54/365615754.db2.gz YZDIUSUEFFRNNG-CMPLNLGQSA-N 0 3 277.324 1.744 10 5 CDBEHN O=[N+]([O-])c1cc2cnn(C[C@H]3CNCCO3)c2c(Cl)c1 ZINC000594695837 342943187 /nfs/dbraw/zinc/94/31/87/342943187.db2.gz JUCTUMBFGSZAMO-SNVBAGLBSA-N 0 3 296.714 1.586 10 5 CDBEHN CN1C[C@H](CNCc2ccccc2[N+](=O)[O-])CC1=O ZINC000594983860 342993611 /nfs/dbraw/zinc/99/36/11/342993611.db2.gz PXZBITCVLBACBX-JTQLQIEISA-N 0 3 263.297 1.163 10 5 CDBEHN COC[C@H](CCNCc1csc([N+](=O)[O-])c1)OC ZINC000594954989 342983049 /nfs/dbraw/zinc/98/30/49/342983049.db2.gz JJDJMTHPVOLICZ-JTQLQIEISA-N 0 3 274.342 1.797 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@@H]2C[C@@H](O)C23CCC3)cc1 ZINC000594988641 342994308 /nfs/dbraw/zinc/99/43/08/342994308.db2.gz RKORMWILKZSZBE-CHWSQXEVSA-N 0 3 262.309 1.988 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCOC2(CNC2)C1 ZINC000596108756 343229359 /nfs/dbraw/zinc/22/93/59/343229359.db2.gz XRKZAUMVBKDMAL-UHFFFAOYSA-N 0 3 277.324 1.077 10 5 CDBEHN O=[N+]([O-])c1ccc(N2CCC(N3CC[C@@H](O)C3)CC2)s1 ZINC000596537558 343345713 /nfs/dbraw/zinc/34/57/13/343345713.db2.gz HORNAHGJNURNIN-LLVKDONJSA-N 0 3 297.380 1.692 10 5 CDBEHN Cc1cc([N+](=O)[O-])cnc1Nc1cnn(CCN(C)C)c1 ZINC000092627958 342415627 /nfs/dbraw/zinc/41/56/27/342415627.db2.gz VZENPTMLPMHARK-UHFFFAOYSA-N 0 3 290.327 1.800 10 5 CDBEHN O=[N+]([O-])c1cccc(CNC[C@@H]2CN(C3CC3)CCO2)c1 ZINC000106379904 186112432 /nfs/dbraw/zinc/11/24/32/186112432.db2.gz FXZWTPYAEJIGDY-OAHLLOKOSA-N 0 3 291.351 1.548 10 5 CDBEHN COc1ccc(CN[C@H](C)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000134981575 356902754 /nfs/dbraw/zinc/90/27/54/356902754.db2.gz RNUSJSBZUJBOEE-VHSXEESVSA-N 0 3 268.313 1.710 10 5 CDBEHN CO[C@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000290537847 357212469 /nfs/dbraw/zinc/21/24/69/357212469.db2.gz LHJDXZGHUOBAFH-OUAUKWLOSA-N 0 3 295.339 1.935 10 5 CDBEHN CC(C)N1CC[C@@H](Nc2c([N+](=O)[O-])ncn2C)C1 ZINC000049281839 359267049 /nfs/dbraw/zinc/26/70/49/359267049.db2.gz RYOWEIXKFXPRTP-SECBINFHSA-N 0 3 253.306 1.223 10 5 CDBEHN C[C@@H](NC[C@H](O)CN(C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000289654363 359660252 /nfs/dbraw/zinc/66/02/52/359660252.db2.gz XOGJZAROHDSEAO-YPMHNXCESA-N 0 3 293.367 1.701 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1CN(C)C ZINC000330921906 203391373 /nfs/dbraw/zinc/39/13/73/203391373.db2.gz ARDNKWBWJZUOJJ-LLVKDONJSA-N 0 3 292.339 1.464 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)[C@H](C)CO ZINC000295713097 370582930 /nfs/dbraw/zinc/58/29/30/370582930.db2.gz KIDKODDOXFWRDG-MNOVXSKESA-N 0 3 295.339 1.448 10 5 CDBEHN CCC[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000161726959 375166026 /nfs/dbraw/zinc/16/60/26/375166026.db2.gz CZKZVSFDQJXZBU-CQSZACIVSA-N 0 3 293.367 1.984 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000194742939 375960600 /nfs/dbraw/zinc/96/06/00/375960600.db2.gz UMBNHKZORHZCCJ-LBPRGKRZSA-N 0 3 293.323 1.184 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000266091966 190229919 /nfs/dbraw/zinc/22/99/19/190229919.db2.gz IXWRRGRKFPPIKB-LBPRGKRZSA-N 0 3 289.335 1.823 10 5 CDBEHN O=[N+]([O-])c1ccc(N2CC[C@H](N3CC=CC3)C2)cn1 ZINC000361104500 285130040 /nfs/dbraw/zinc/13/00/40/285130040.db2.gz FCTVSHYHKDSDDH-LBPRGKRZSA-N 0 3 260.297 1.440 10 5 CDBEHN O=[N+]([O-])c1ccc2nc(OC3CC[NH2+]CC3)[n-]c2c1 ZINC000094772340 285152085 /nfs/dbraw/zinc/15/20/85/285152085.db2.gz KOLRAQGUZRTVPS-UHFFFAOYSA-N 0 3 262.269 1.602 10 5 CDBEHN O=[N+]([O-])c1ccc2[n-]c(OC3CC[NH2+]CC3)nc2c1 ZINC000094772340 285152088 /nfs/dbraw/zinc/15/20/88/285152088.db2.gz KOLRAQGUZRTVPS-UHFFFAOYSA-N 0 3 262.269 1.602 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCCCC[C@H]2CCO)c1 ZINC000342056319 130225773 /nfs/dbraw/zinc/22/57/73/130225773.db2.gz HLMYAHCPWAVSHD-LBPRGKRZSA-N 0 3 282.344 1.418 10 5 CDBEHN Cc1cc(N2CCO[C@@H]3CCN(C)C[C@H]32)ncc1[N+](=O)[O-] ZINC000284591240 393193595 /nfs/dbraw/zinc/19/35/95/393193595.db2.gz QGMJSGFLLSCBDW-CHWSQXEVSA-N 0 3 292.339 1.208 10 5 CDBEHN CN1CCC(NCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000035308234 172121840 /nfs/dbraw/zinc/12/18/40/172121840.db2.gz KJEJLTNIDDNPEH-UHFFFAOYSA-N 0 3 267.304 1.918 10 5 CDBEHN CC[C@H](C)NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000037386446 173169593 /nfs/dbraw/zinc/16/95/93/173169593.db2.gz UPDNPJGEEMOWKO-VIFPVBQESA-N 0 3 281.312 1.930 10 5 CDBEHN CCN[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300780 175001473 /nfs/dbraw/zinc/00/14/73/175001473.db2.gz WXICUFCKUDVNOF-WCQYABFASA-N 0 3 298.364 1.680 10 5 CDBEHN CCCNCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000044287946 175159678 /nfs/dbraw/zinc/15/96/78/175159678.db2.gz XKYCUEGXHTWFJR-UHFFFAOYSA-N 0 3 255.249 1.672 10 5 CDBEHN CCC[NH2+]CC(=O)Nc1ccc([O-])cc1[N+](=O)[O-] ZINC000044647600 175223318 /nfs/dbraw/zinc/22/33/18/175223318.db2.gz RFEHNVPQSIPAPJ-UHFFFAOYSA-N 0 3 253.258 1.239 10 5 CDBEHN CCN[C@H]1CCN(c2cc([N+](=O)[O-])ccc2OC)C1=O ZINC000071038649 176027144 /nfs/dbraw/zinc/02/71/44/176027144.db2.gz OTTLPMAXBJSKRI-JTQLQIEISA-N 0 3 279.296 1.318 10 5 CDBEHN O=[N+]([O-])c1ccccc1CCN1CCCN(CCO)CC1 ZINC000071350491 176133904 /nfs/dbraw/zinc/13/39/04/176133904.db2.gz VNTWJCCDQXEXMN-UHFFFAOYSA-N 0 3 293.367 1.137 10 5 CDBEHN CCN1CC[C@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)[C@@H](C)C1 ZINC000266231416 270313440 /nfs/dbraw/zinc/31/34/40/270313440.db2.gz JSHAVPIAZUBGQL-UWVGGRQHSA-N 0 3 294.359 1.134 10 5 CDBEHN C[C@H](N[C@@H]1CCc2ncnn2C1)c1ccc([N+](=O)[O-])cc1 ZINC000178223279 279522084 /nfs/dbraw/zinc/52/20/84/279522084.db2.gz UXIJGZYXCARIMF-CMPLNLGQSA-N 0 3 287.323 1.852 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN1CCNC[C@H]1C(F)F ZINC000563149629 293290695 /nfs/dbraw/zinc/29/06/95/293290695.db2.gz DNKBUUBOXVJMHQ-NSHDSACASA-N 0 3 271.267 1.634 10 5 CDBEHN CCN(CC)CCOc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050454633 520702493 /nfs/dbraw/zinc/70/24/93/520702493.db2.gz WBSMTANMEIXCGG-UHFFFAOYSA-N 0 3 274.708 1.759 10 5 CDBEHN CCN[C@@](C)(C[C@H](C)Oc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000068651527 520146598 /nfs/dbraw/zinc/14/65/98/520146598.db2.gz AVSZUIJLUAXTTG-HZMBPMFUSA-N 0 3 295.339 1.606 10 5 CDBEHN CCN(CCO)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050814548 521121640 /nfs/dbraw/zinc/12/16/40/521121640.db2.gz GEUJOFGUIRQQKJ-UHFFFAOYSA-N 0 3 253.302 1.451 10 5 CDBEHN CCCn1cc([N+](=O)[O-])cc1C(=O)N1[C@H](C)CNC[C@H]1C ZINC000069133218 521655764 /nfs/dbraw/zinc/65/57/64/521655764.db2.gz NOOITRQABNEKRL-GHMZBOCLSA-N 0 3 294.355 1.629 10 5 CDBEHN CN(C)C[C@@H]1CCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000061644500 521833391 /nfs/dbraw/zinc/83/33/91/521833391.db2.gz MDJGYFFNSUAVSG-NSHDSACASA-N 0 3 295.314 1.900 10 5 CDBEHN Cc1cc(C)c(OCCC[C@@](C)(N)C(N)=O)c([N+](=O)[O-])c1 ZINC000050442071 524309872 /nfs/dbraw/zinc/30/98/72/524309872.db2.gz OLZGVHZYMMLQET-CQSZACIVSA-N 0 3 295.339 1.573 10 5 CDBEHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cc([N+](=O)[O-])ccc1N ZINC000050815297 524646788 /nfs/dbraw/zinc/64/67/88/524646788.db2.gz OJXZPNCGQUADAA-ZJUUUORDSA-N 0 3 292.339 1.263 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1C(=O)N1[C@H](C)CNC[C@H]1C ZINC000069133297 524903715 /nfs/dbraw/zinc/90/37/15/524903715.db2.gz BJMVMCMODRAEAY-GHMZBOCLSA-N 0 3 277.324 1.726 10 5 CDBEHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@H]1N(C)C ZINC000340745396 525847415 /nfs/dbraw/zinc/84/74/15/525847415.db2.gz QIXPBLDLWGNFPD-GHMZBOCLSA-N 0 3 282.369 1.472 10 5 CDBEHN Nc1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(C2CC2)C1 ZINC000052841321 527461404 /nfs/dbraw/zinc/46/14/04/527461404.db2.gz VYCRNYLKDDWJCN-SECBINFHSA-N 0 3 262.313 1.826 10 5 CDBEHN CC(COC(=O)COC1CCC(C)CC1)[N+](=O)[O-] ZINC000813114628 617349080 /nfs/dbraw/zinc/34/90/80/617349080.db2.gz UYOVJJKNFAYOGT-HSOILSAZSA-N 0 3 259.302 1.790 10 5 CDBEHN Cc1c(CC(=O)OCC(C)[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000813110194 693878806 /nfs/dbraw/zinc/87/88/06/693878806.db2.gz UPUQTFQYEQIJFV-QMMMGPOBSA-N 0 3 282.252 1.654 10 5 CDBEHN CC(COC(=O)c1ccnn1C1CCCC1)[N+](=O)[O-] ZINC000813100105 693891772 /nfs/dbraw/zinc/89/17/72/693891772.db2.gz MQQHMNQTAMGCKW-VIFPVBQESA-N 0 3 267.285 1.820 10 5 CDBEHN CC(COC(=O)[C@@H](C)Oc1ccc(F)c(F)c1)[N+](=O)[O-] ZINC000813109086 688287720 /nfs/dbraw/zinc/28/77/20/688287720.db2.gz OEBNHXYIZGRYNV-JGVFFNPUSA-N 0 3 289.234 1.941 10 5 CDBEHN COc1cccc(CCC(=O)OCC(C)[N+](=O)[O-])c1F ZINC000813106885 688591373 /nfs/dbraw/zinc/59/13/73/688591373.db2.gz JEPFDHSUUTXKOZ-SECBINFHSA-N 0 3 285.271 1.975 10 5 CDBEHN Cc1nc2sccn2c1C(=O)OCC(C)[N+](=O)[O-] ZINC000860776681 692586962 /nfs/dbraw/zinc/58/69/62/692586962.db2.gz GRYCKMGRPAIWGG-ZCFIWIBFSA-N 0 3 269.282 1.526 10 5 CDBEHN CC(C)c1cc(C(=O)OCC(C)[N+](=O)[O-])nn1C ZINC000813102101 694766467 /nfs/dbraw/zinc/76/64/67/694766467.db2.gz NTWBGVHEPJZUGU-QMMMGPOBSA-N 0 3 255.274 1.366 10 5 CDBEHN CC[C@@H]1C[C@H](CC(=O)OCC(C)[N+](=O)[O-])CCO1 ZINC000813114855 695043874 /nfs/dbraw/zinc/04/38/74/695043874.db2.gz HUGLWBCFRFMHPI-HBNTYKKESA-N 0 3 259.302 1.790 10 5 CDBEHN CC(COC(=O)/C=C/c1ccc(Cl)nc1)[N+](=O)[O-] ZINC000813105475 1163813572 /nfs/dbraw/zinc/81/35/72/1163813572.db2.gz ZRQPLIAUYVCXPX-WGAJWPLOSA-N 0 3 270.672 1.957 10 5 CDBEHN COCCOC1CCC(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813110314 723136812 /nfs/dbraw/zinc/13/68/12/723136812.db2.gz XHOPIHFAWSJMLI-VOMCLLRMSA-N 0 3 289.328 1.417 10 5 CDBEHN CCc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110159 723669984 /nfs/dbraw/zinc/66/99/84/723669984.db2.gz UAYCYPQNYGMYMQ-JTQLQIEISA-N 0 3 251.282 2.000 10 5 CDBEHN CCOCCC1(C(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000813101872 723671425 /nfs/dbraw/zinc/67/14/25/723671425.db2.gz KMCRGMFSBXWWFS-SNVBAGLBSA-N 0 3 259.302 1.792 10 5 CDBEHN CO[C@](C)(CO)CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000848921939 723683305 /nfs/dbraw/zinc/68/33/05/723683305.db2.gz KBUFYTSJWITEQM-LBPRGKRZSA-N 0 3 288.731 1.735 10 5 CDBEHN Cc1cc(C(=O)N[C@H]2CCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000928456500 933148894 /nfs/dbraw/zinc/14/88/94/933148894.db2.gz LWYLEFZLUGQGNH-JQWIXIFHSA-N 0 3 277.324 1.726 10 5 CDBEHN CC[C@@H](NC[C@@H](O)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC001653102028 1171505186 /nfs/dbraw/zinc/50/51/86/1171505186.db2.gz KAVXGIWHLITJOO-CHWSQXEVSA-N 0 3 282.340 1.767 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590043481 342520519 /nfs/dbraw/zinc/52/05/19/342520519.db2.gz AHFAHDHNSLVNOI-RNCFNFMXSA-N 0 3 293.298 1.510 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000590045836 342520689 /nfs/dbraw/zinc/52/06/89/342520689.db2.gz XWGPRRDQEALXGS-OCCSQVGLSA-N 0 3 289.335 1.300 10 5 CDBEHN Cc1c(C(=O)N2CC[C@@H](F)[C@H](N)C2)cccc1[N+](=O)[O-] ZINC000595260709 343014170 /nfs/dbraw/zinc/01/41/70/343014170.db2.gz JUEUJIYHUSKCHT-GHMZBOCLSA-N 0 3 281.287 1.415 10 5 CDBEHN C[C@@H](NC[C@]1(O)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595413745 343051303 /nfs/dbraw/zinc/05/13/03/343051303.db2.gz GXTXTCGEEFRXEV-BXUZGUMPSA-N 0 3 280.324 1.787 10 5 CDBEHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@]1(O)CCCOC1 ZINC000595485920 343074924 /nfs/dbraw/zinc/07/49/24/343074924.db2.gz ZGODIVNOLIXCMD-HNNXBMFYSA-N 0 3 294.351 1.611 10 5 CDBEHN C[C@]12COC[C@@H]1CN(CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000595758411 343143075 /nfs/dbraw/zinc/14/30/75/343143075.db2.gz MWFVIQOJWHMNPG-WFASDCNBSA-N 0 3 292.335 1.942 10 5 CDBEHN CC(C)N1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596095156 343235110 /nfs/dbraw/zinc/23/51/10/343235110.db2.gz ZWHDBKFCPKDFPI-LLVKDONJSA-N 0 3 292.339 1.588 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC1([C@@H](C)O)CC1 ZINC000597234633 343490003 /nfs/dbraw/zinc/49/00/03/343490003.db2.gz LXDPYWDXCALTOB-SNVBAGLBSA-N 0 3 250.298 1.906 10 5 CDBEHN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)N1 ZINC000598536204 343828549 /nfs/dbraw/zinc/82/85/49/343828549.db2.gz OLZPJSMCCHSXSM-DTWKUNHWSA-N 0 3 266.301 1.135 10 5 CDBEHN O=[N+]([O-])c1ccc(NC[C@H]2CCN2C2CCCC2)nc1 ZINC000599166752 343973374 /nfs/dbraw/zinc/97/33/74/343973374.db2.gz ZWTRYPBULUACFX-GFCCVEGCSA-N 0 3 276.340 1.841 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2COC[C@@H]2C1 ZINC000601976984 344305617 /nfs/dbraw/zinc/30/56/17/344305617.db2.gz SFTHKTQOKFBKKA-BETUJISGSA-N 0 3 262.309 1.981 10 5 CDBEHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)C(O)[C@@H](C)C1 ZINC000602889017 344636228 /nfs/dbraw/zinc/63/62/28/344636228.db2.gz PVPZXCZHLJVTIZ-UWVGGRQHSA-N 0 3 282.344 1.048 10 5 CDBEHN O=C1NCCC[C@@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000295112409 199350131 /nfs/dbraw/zinc/35/01/31/199350131.db2.gz VFZIWPAMQQHMOM-UXONFWTHSA-N 0 3 275.308 1.476 10 5 CDBEHN O=[N+]([O-])c1cnccc1N1CCN(c2ccncc2)CC1 ZINC000066796954 350876271 /nfs/dbraw/zinc/87/62/71/350876271.db2.gz ZEHXNPSNGNLQDS-UHFFFAOYSA-N 0 3 285.307 1.711 10 5 CDBEHN COc1ccc(CN[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000052013331 363128235 /nfs/dbraw/zinc/12/82/35/363128235.db2.gz ZSKVDGXBGIXIIR-YPMHNXCESA-N 0 3 280.324 1.997 10 5 CDBEHN CC1(C)[C@@H](O)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000336797126 356268696 /nfs/dbraw/zinc/26/86/96/356268696.db2.gz YWIZNJZBIUWSHG-LBPRGKRZSA-N 0 3 250.298 1.940 10 5 CDBEHN COc1cccc(N2CCO[C@@H](CN(C)C)C2)c1[N+](=O)[O-] ZINC000185378963 357538047 /nfs/dbraw/zinc/53/80/47/357538047.db2.gz CZADQDPVCYSUKY-NSHDSACASA-N 0 3 295.339 1.370 10 5 CDBEHN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]1CN(C)C ZINC000361072659 357792372 /nfs/dbraw/zinc/79/23/72/357792372.db2.gz FPRZFEFDLMUZEM-NSHDSACASA-N 0 3 281.360 1.650 10 5 CDBEHN C[C@@H]1CC(O)C[C@@H](C)N1CCn1cc([N+](=O)[O-])cn1 ZINC000191175247 358118275 /nfs/dbraw/zinc/11/82/75/358118275.db2.gz IBXJUPHQPLOWLK-NXEZZACHSA-N 0 3 268.317 1.025 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@H](C)CO ZINC000228591974 189793729 /nfs/dbraw/zinc/79/37/29/189793729.db2.gz UULBWZOLZWPJHS-ZJUUUORDSA-N 0 3 268.313 1.710 10 5 CDBEHN CC(C)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531887663 372816727 /nfs/dbraw/zinc/81/67/27/372816727.db2.gz BMFAXNPJLMWRRK-UHFFFAOYSA-N 0 3 292.339 1.546 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNCC1([S@](C)=O)CC1 ZINC000282212410 375071809 /nfs/dbraw/zinc/07/18/09/375071809.db2.gz DKJWNTKWRFCIEG-IBGZPJMESA-N 0 3 282.365 1.904 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CNCC1(O)CCOCC1 ZINC000162617781 375390459 /nfs/dbraw/zinc/39/04/59/375390459.db2.gz NLYHBTNSEYTUSU-UHFFFAOYSA-N 0 3 296.323 1.235 10 5 CDBEHN COC[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000227712390 375596530 /nfs/dbraw/zinc/59/65/30/375596530.db2.gz ZYYFIIHFNCZKGS-GWCFXTLKSA-N 0 3 268.313 1.907 10 5 CDBEHN COC[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000452080223 391006702 /nfs/dbraw/zinc/00/67/02/391006702.db2.gz IQANROYYWKFIND-LBPRGKRZSA-N 0 3 282.344 1.540 10 5 CDBEHN CNC(=O)[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000183635075 391278938 /nfs/dbraw/zinc/27/89/38/391278938.db2.gz FBAOBCFZYLWTJJ-ZDUSSCGKSA-N 0 3 295.339 1.334 10 5 CDBEHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532138832 393067839 /nfs/dbraw/zinc/06/78/39/393067839.db2.gz IQJYPGVGQRFZBD-MFKMUULPSA-N 0 3 292.339 1.402 10 5 CDBEHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000343592727 152236411 /nfs/dbraw/zinc/23/64/11/152236411.db2.gz VLXMAGTXUTWGLQ-NXEZZACHSA-N 0 3 295.343 1.311 10 5 CDBEHN O=[N+]([O-])c1ccccc1CNCC[C@@H](O)C(F)(F)F ZINC000349334782 154092036 /nfs/dbraw/zinc/09/20/36/154092036.db2.gz TWYDYCSNVMRRSC-SNVBAGLBSA-N 0 3 278.230 1.998 10 5 CDBEHN CN(C)CCNCc1cc([N+](=O)[O-])c(F)cc1F ZINC000037184165 173016491 /nfs/dbraw/zinc/01/64/91/173016491.db2.gz FBSLQHHMYROEDK-UHFFFAOYSA-N 0 3 259.256 1.524 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)C ZINC000037386069 173169030 /nfs/dbraw/zinc/16/90/30/173169030.db2.gz OYIVDVFETDOXAN-UHFFFAOYSA-N 0 3 267.285 1.540 10 5 CDBEHN CC(C)NCc1ccc(OCCCO)c([N+](=O)[O-])c1 ZINC000043443911 175047791 /nfs/dbraw/zinc/04/77/91/175047791.db2.gz XFCXQYBHTDKIMA-UHFFFAOYSA-N 0 3 268.313 1.854 10 5 CDBEHN CC(C)N[C@@H]1CCN(c2cc([N+](=O)[O-])ccc2F)C1=O ZINC000071039998 176027010 /nfs/dbraw/zinc/02/70/10/176027010.db2.gz YDYNTKUDLPVEII-LLVKDONJSA-N 0 3 281.287 1.837 10 5 CDBEHN O=[N+]([O-])c1cccc(N2CCCN(CCO)CC2)c1 ZINC000071349556 176132462 /nfs/dbraw/zinc/13/24/62/176132462.db2.gz QXIXSIZKFLAYDP-UHFFFAOYSA-N 0 3 265.313 1.099 10 5 CDBEHN C[C@@H]1CN2CCC[C@H]2CN1c1c([N+](=O)[O-])ncn1C ZINC000265015018 288314780 /nfs/dbraw/zinc/31/47/80/288314780.db2.gz XRAJJMPMHKHFPB-ZJUUUORDSA-N 0 3 265.317 1.001 10 5 CDBEHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554861011 290195170 /nfs/dbraw/zinc/19/51/70/290195170.db2.gz ZXYBXBNPKJLVIN-AOOOYVTPSA-N 0 3 295.343 1.311 10 5 CDBEHN CN1C[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CCC1=O ZINC000563419590 316304320 /nfs/dbraw/zinc/30/43/20/316304320.db2.gz XHTVFEUQWLRQSC-GXFFZTMASA-N 0 3 289.335 1.793 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(OCCOC)c1 ZINC000050517009 520000878 /nfs/dbraw/zinc/00/08/78/520000878.db2.gz CQPYNNXXIRISCE-UHFFFAOYSA-N 0 3 254.286 1.730 10 5 CDBEHN CC(C)NCc1ccc([N+](=O)[O-])c(O[C@@H](C)C(N)=O)c1 ZINC000050517184 519727294 /nfs/dbraw/zinc/72/72/94/519727294.db2.gz CZHBNJVXBBGOMR-VIFPVBQESA-N 0 3 281.312 1.345 10 5 CDBEHN CCNCc1cnn(Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000054719314 520018091 /nfs/dbraw/zinc/01/80/91/520018091.db2.gz WHZOENOSZSDRFC-UHFFFAOYSA-N 0 3 290.323 1.958 10 5 CDBEHN CNCc1cnn(Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000054719180 522148532 /nfs/dbraw/zinc/14/85/32/522148532.db2.gz UKKDISQSZPMGKD-UHFFFAOYSA-N 0 3 260.297 1.867 10 5 CDBEHN CC[C@@H](Oc1ccc([N+](=O)[O-])cc1CNC(C)C)C(N)=O ZINC000061675907 523044742 /nfs/dbraw/zinc/04/47/42/523044742.db2.gz QUFBQECOPIWITI-GFCCVEGCSA-N 0 3 295.339 1.736 10 5 CDBEHN COC(=O)COc1ccc([N+](=O)[O-])cc1CNCC(C)C ZINC000062732075 523228117 /nfs/dbraw/zinc/22/81/17/523228117.db2.gz VFKGBZVHLNONSU-UHFFFAOYSA-N 0 3 296.323 1.892 10 5 CDBEHN Cc1nc(CNCCc2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000054822441 526886776 /nfs/dbraw/zinc/88/67/76/526886776.db2.gz VZWAWRIHFRNCFF-UHFFFAOYSA-N 0 3 260.297 1.959 10 5 CDBEHN Cc1ncc(CNCCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000054822441 526886782 /nfs/dbraw/zinc/88/67/82/526886782.db2.gz VZWAWRIHFRNCFF-UHFFFAOYSA-N 0 3 260.297 1.959 10 5 CDBEHN C[C@@H]1[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000928430204 619005928 /nfs/dbraw/zinc/00/59/28/619005928.db2.gz FQOLCJNCDDOKBL-BXKDBHETSA-N 0 3 295.314 1.485 10 5 CDBEHN C[C@H](NC[C@H](O)C1(O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000930595688 695283244 /nfs/dbraw/zinc/28/32/44/695283244.db2.gz WXUZRZYRTRWESC-FZMZJTMJSA-N 0 3 294.351 1.911 10 5 CDBEHN CC(COC(=O)CCc1ccccc1F)[N+](=O)[O-] ZINC000813111485 695308231 /nfs/dbraw/zinc/30/82/31/695308231.db2.gz IKCPRHMDFFMDQU-VIFPVBQESA-N 0 3 255.245 1.967 10 5 CDBEHN CC(=O)c1cccc(O[C@H](C)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813107276 695466605 /nfs/dbraw/zinc/46/66/05/695466605.db2.gz OIILZBJININMGA-GXSJLCMTSA-N 0 3 295.291 1.865 10 5 CDBEHN COc1ccc2c(c1)OC[C@H]2CC(=O)OCC(C)[N+](=O)[O-] ZINC000813105324 695638496 /nfs/dbraw/zinc/63/84/96/695638496.db2.gz LWNLUJCATROATR-VHSXEESVSA-N 0 3 295.291 1.770 10 5 CDBEHN CC(COC(=O)CCc1ccc(F)cc1)[N+](=O)[O-] ZINC000813100572 695730331 /nfs/dbraw/zinc/73/03/31/695730331.db2.gz UPEQEBYLAWRLTQ-VIFPVBQESA-N 0 3 255.245 1.967 10 5 CDBEHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(OC)c1C ZINC000813105536 695879585 /nfs/dbraw/zinc/87/95/85/695879585.db2.gz ODZFGESZVVWSQK-QMMMGPOBSA-N 0 3 283.280 1.834 10 5 CDBEHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CNCCO1 ZINC000852744809 695880240 /nfs/dbraw/zinc/88/02/40/695880240.db2.gz IXMNQZOBHNXVFT-GFCCVEGCSA-N 0 3 299.758 1.668 10 5 CDBEHN CN1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3F)[C@@H]2C1 ZINC000854600550 695979730 /nfs/dbraw/zinc/97/97/30/695979730.db2.gz YATHIUUYJKZPGA-TVQRCGJNSA-N 0 3 293.298 1.510 10 5 CDBEHN CC(COC(=O)[C@H]1CC(C)(C)OC1(C)C)[N+](=O)[O-] ZINC000860775981 696007655 /nfs/dbraw/zinc/00/76/55/696007655.db2.gz AJQJFXBKYKDYGL-DTWKUNHWSA-N 0 3 259.302 1.789 10 5 CDBEHN CC(COC(=O)c1ncsc1Br)[N+](=O)[O-] ZINC000813103317 696087279 /nfs/dbraw/zinc/08/72/79/696087279.db2.gz ZZDMEFRYPIHNDR-BYPYZUCNSA-N 0 3 295.114 1.728 10 5 CDBEHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H]2CCN(C)[C@H]2C1 ZINC001612407512 1165513642 /nfs/dbraw/zinc/51/36/42/1165513642.db2.gz YJXROIGYWFEJOS-MNOVXSKESA-N 0 3 279.344 1.260 10 5 CDBEHN CN1CCCC[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001636801828 1166699406 /nfs/dbraw/zinc/69/94/06/1166699406.db2.gz NDURWFULSIQETG-JTQLQIEISA-N 0 3 292.339 1.391 10 5 CDBEHN CCOC(=O)c1cnc(C)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112657 1163816679 /nfs/dbraw/zinc/81/66/79/1163816679.db2.gz SJUPRTHONSTTNI-MRVPVSSYSA-N 0 3 296.279 1.389 10 5 CDBEHN CC(COC(=O)C[C@@H](C)c1ccncc1)[N+](=O)[O-] ZINC000813115587 724414816 /nfs/dbraw/zinc/41/48/16/724414816.db2.gz WAIOBYLUTSAUSX-NXEZZACHSA-N 0 3 252.270 1.784 10 5 CDBEHN CC(COC(=O)CCC(=O)c1cccc(F)c1)[N+](=O)[O-] ZINC000813112709 723697991 /nfs/dbraw/zinc/69/79/91/723697991.db2.gz UAJWVXRJFMYHNP-VIFPVBQESA-N 0 3 283.255 1.997 10 5 CDBEHN CC(COC(=O)[C@@H](F)Cc1ccccc1)[N+](=O)[O-] ZINC000813112183 723868333 /nfs/dbraw/zinc/86/83/33/723868333.db2.gz DCWJMUHEDDLZNK-KOLCDFICSA-N 0 3 255.245 1.776 10 5 CDBEHN CC(COC(=O)[C@H]1COc2ccccc21)[N+](=O)[O-] ZINC000813107750 723984648 /nfs/dbraw/zinc/98/46/48/723984648.db2.gz VTFFXKLNHUSMLG-SCZZXKLOSA-N 0 3 251.238 1.371 10 5 CDBEHN CCCc1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000797283416 724052999 /nfs/dbraw/zinc/05/29/99/724052999.db2.gz WRZPCURGIIWGHT-SSDOTTSWSA-N 0 3 256.258 1.758 10 5 CDBEHN Cc1cc(NCCc2ccc([N+](=O)[O-])cc2)nc(N)n1 ZINC000048893836 724592264 /nfs/dbraw/zinc/59/22/64/724592264.db2.gz BPHXPAXSQKGDTJ-UHFFFAOYSA-N 0 3 273.296 1.930 10 5 CDBEHN CC(COC(=O)CCCc1nc(C2CC2)no1)[N+](=O)[O-] ZINC000813104129 724690135 /nfs/dbraw/zinc/69/01/35/724690135.db2.gz KJHCVTNNURPROQ-QMMMGPOBSA-N 0 3 283.284 1.478 10 5 CDBEHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)C1(O)CCC1 ZINC000930439441 725233707 /nfs/dbraw/zinc/23/37/07/725233707.db2.gz HUNSRLBJIGKFAR-AWEZNQCLSA-N 0 3 294.351 1.345 10 5 CDBEHN CCN(CC(=O)OCC(C)[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000813103801 725384402 /nfs/dbraw/zinc/38/44/02/725384402.db2.gz UHSIULLQVUDSKA-SECBINFHSA-N 0 3 290.316 1.452 10 5 CDBEHN Cc1ccc(/C=C/C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813101842 725402552 /nfs/dbraw/zinc/40/25/52/725402552.db2.gz JXAFUIOKXKBADB-BRAIEQGRSA-N 0 3 250.254 1.612 10 5 CDBEHN Cc1ccc(/C=C\C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813101845 725640020 /nfs/dbraw/zinc/64/00/20/725640020.db2.gz JXAFUIOKXKBADB-WWQCOOJYSA-N 0 3 250.254 1.612 10 5 CDBEHN COc1cccc2c1[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2 ZINC000816091216 726004189 /nfs/dbraw/zinc/00/41/89/726004189.db2.gz OKNMSCZZYDUDAX-KOLCDFICSA-N 0 3 279.292 1.933 10 5 CDBEHN CC(C)C1(O)CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001176922209 914360417 /nfs/dbraw/zinc/36/04/17/914360417.db2.gz ZQYIJQLGUPSXGL-UHFFFAOYSA-N 0 3 282.344 1.274 10 5 CDBEHN CC(C)N1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC001296126352 954814503 /nfs/dbraw/zinc/81/45/03/954814503.db2.gz HNNRIPVBOROPPZ-SNVBAGLBSA-N 0 3 280.328 1.526 10 5 CDBEHN CCc1nn(C)c(N2C[C@H]3CCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC001651081899 1171285154 /nfs/dbraw/zinc/28/51/54/1171285154.db2.gz PWMZOJPMKMIQAJ-KOLCDFICSA-N 0 3 279.344 1.031 10 5 CDBEHN CC[C@H](C)[C@H](NCCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001654772450 1171637651 /nfs/dbraw/zinc/63/76/51/1171637651.db2.gz VMPGQKFSBOPDQQ-GWCFXTLKSA-N 0 3 295.339 1.463 10 5 CDBEHN Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@H](CN(C)C)C2)n1 ZINC000611616505 346838185 /nfs/dbraw/zinc/83/81/85/346838185.db2.gz UQDPVKOTGSPOLC-GFCCVEGCSA-N 0 3 294.355 1.373 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCC23CCCC3)c1 ZINC000593038360 342756251 /nfs/dbraw/zinc/75/62/51/342756251.db2.gz IHNORHUKIGHWRC-UHFFFAOYSA-N 0 3 250.302 1.810 10 5 CDBEHN CC(C)(CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000573660079 361911712 /nfs/dbraw/zinc/91/17/12/361911712.db2.gz LQUADKHLZHVJER-UHFFFAOYSA-N 0 3 292.339 1.594 10 5 CDBEHN Cc1ccc([C@H](C)N[C@H]2C[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000593718773 342828598 /nfs/dbraw/zinc/82/85/98/342828598.db2.gz OXEFKSLMUFOMGT-ZMLRMANQSA-N 0 3 277.324 1.818 10 5 CDBEHN CO[C@](C)(CO)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000594513882 342913010 /nfs/dbraw/zinc/91/30/10/342913010.db2.gz UJASEDYLCSCXAL-FZMZJTMJSA-N 0 3 282.340 1.951 10 5 CDBEHN Cc1ccc(CN2CCN3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594614444 342927913 /nfs/dbraw/zinc/92/79/13/342927913.db2.gz WIDUKZNQVCUKFA-UONOGXRCSA-N 0 3 291.351 1.154 10 5 CDBEHN N[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[C@H]1F ZINC000595261120 343014620 /nfs/dbraw/zinc/01/46/20/343014620.db2.gz RQTLVJUHCNHVAP-GHMZBOCLSA-N 0 3 281.287 1.035 10 5 CDBEHN O=[N+]([O-])c1ccc(OCCN[C@H]2C[C@@H](O)C23CCC3)cc1 ZINC000595777589 343149431 /nfs/dbraw/zinc/14/94/31/343149431.db2.gz HOQNYHZHHZSIHN-UONOGXRCSA-N 0 3 292.335 1.867 10 5 CDBEHN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H](C)N1 ZINC000598536861 343828668 /nfs/dbraw/zinc/82/86/68/343828668.db2.gz ZZLVGGDGRXRKCM-VHSXEESVSA-N 0 3 280.328 1.146 10 5 CDBEHN Cc1ccc(CN[C@H]2CCOC[C@@H]2O)cc1[N+](=O)[O-] ZINC000599012688 343940097 /nfs/dbraw/zinc/94/00/97/343940097.db2.gz UWFTZEHVHQITGP-AAEUAGOBSA-N 0 3 266.297 1.143 10 5 CDBEHN C[C@H](NC[C@@H]1COCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000599075880 343949285 /nfs/dbraw/zinc/94/92/85/343949285.db2.gz AWFWEHLKVXIGSJ-SMDDNHRTSA-N 0 3 279.340 1.576 10 5 CDBEHN C[C@H](N[C@H]1CCOC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000599080960 343957289 /nfs/dbraw/zinc/95/72/89/343957289.db2.gz MBKJQXYPZBLTCX-XDTLVQLUSA-N 0 3 266.297 1.395 10 5 CDBEHN C[C@](O)(C[C@H](O)CNCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000601966111 344298165 /nfs/dbraw/zinc/29/81/65/344298165.db2.gz PSZWZHPZPUIBLG-GJZGRUSLSA-N 0 3 294.351 1.596 10 5 CDBEHN Cc1c(CN[C@H]2CCC(=O)N(C)C2)cccc1[N+](=O)[O-] ZINC000084088741 178785423 /nfs/dbraw/zinc/78/54/23/178785423.db2.gz OKFRJEVRMIZMQC-LBPRGKRZSA-N 0 3 277.324 1.614 10 5 CDBEHN CC1(C)OCC[C@@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000295147980 199371824 /nfs/dbraw/zinc/37/18/24/199371824.db2.gz CVZRTQLUNNVVGH-STQMWFEESA-N 0 3 280.324 1.785 10 5 CDBEHN C[C@@H](NCCc1nnnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000611304400 346742884 /nfs/dbraw/zinc/74/28/84/346742884.db2.gz GVPHQLMIHWQMLL-SECBINFHSA-N 0 3 276.300 1.012 10 5 CDBEHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCCC[C@H]2O)o1 ZINC000085963292 179204745 /nfs/dbraw/zinc/20/47/45/179204745.db2.gz HKIODWRGVLOODI-GXSJLCMTSA-N 0 3 254.286 1.829 10 5 CDBEHN C[C@H](CO)[C@H](C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000273964862 192381090 /nfs/dbraw/zinc/38/10/90/192381090.db2.gz GXESLZMPGJOFDA-ZJUUUORDSA-N 0 3 281.312 1.140 10 5 CDBEHN COc1cc(CNCC[C@@H](C)O)c([N+](=O)[O-])cc1OC ZINC000114771261 349292029 /nfs/dbraw/zinc/29/20/29/349292029.db2.gz HNVMPNUKKITBHH-SECBINFHSA-N 0 3 284.312 1.473 10 5 CDBEHN Cc1cc(C(=O)NC[C@@H]2CCCN2C)c(N)c([N+](=O)[O-])c1 ZINC000104866804 186029429 /nfs/dbraw/zinc/02/94/29/186029429.db2.gz HKSZOZQWSVDJJO-JTQLQIEISA-N 0 3 292.339 1.309 10 5 CDBEHN C[C@H](CO)CNCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000109133281 186244688 /nfs/dbraw/zinc/24/46/88/186244688.db2.gz FQVVOMILILSBTE-QMMMGPOBSA-N 0 3 258.705 1.966 10 5 CDBEHN Nc1c(C(=O)N2CCN3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000157334342 188310327 /nfs/dbraw/zinc/31/03/27/188310327.db2.gz ZHIDFQONQDTVKO-JTQLQIEISA-N 0 3 290.323 1.097 10 5 CDBEHN CC1(C)[C@H](O)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000310907637 357213032 /nfs/dbraw/zinc/21/30/32/357213032.db2.gz BYSLWGUDAYIJMS-GFCCVEGCSA-N 0 3 250.298 1.940 10 5 CDBEHN COc1cc(CN2CC[C@@](C)(C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000361557208 358280828 /nfs/dbraw/zinc/28/08/28/358280828.db2.gz OQGMEEBNEALQOI-CQSZACIVSA-N 0 3 293.323 1.301 10 5 CDBEHN Cc1cccc(OC[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC000080745197 359002676 /nfs/dbraw/zinc/00/26/76/359002676.db2.gz HFTOUCXTHPJJBW-JTQLQIEISA-N 0 3 252.270 1.270 10 5 CDBEHN C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])nc2)CCN1C ZINC000581469702 363995268 /nfs/dbraw/zinc/99/52/68/363995268.db2.gz ZCEIHCXUHGOOPE-QWRGUYRKSA-N 0 3 264.329 1.909 10 5 CDBEHN C[C@H]1[C@@H](O)CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000296115646 374286900 /nfs/dbraw/zinc/28/69/00/374286900.db2.gz ILEKMLNUITVKGM-FZMZJTMJSA-N 0 3 280.324 1.819 10 5 CDBEHN C[C@@H]1CCCN(CCNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531878441 374513733 /nfs/dbraw/zinc/51/37/33/374513733.db2.gz MEIFVVCFISLRLG-LLVKDONJSA-N 0 3 292.339 1.452 10 5 CDBEHN C[C@@H]1CNCCN1c1nc2cc([N+](=O)[O-])ccc2o1 ZINC000095069577 374864272 /nfs/dbraw/zinc/86/42/72/374864272.db2.gz KJOVFLFKPUBICK-MRVPVSSYSA-N 0 3 262.269 1.534 10 5 CDBEHN COC[C@H](O)CNCc1ccc([N+](=O)[O-])cc1C ZINC000282522783 375090094 /nfs/dbraw/zinc/09/00/94/375090094.db2.gz AGCQVCADLGDYPU-GFCCVEGCSA-N 0 3 254.286 1.000 10 5 CDBEHN CCN(CCNC(=O)c1cc([N+](=O)[O-])cnc1C)C1CC1 ZINC000171141792 376218639 /nfs/dbraw/zinc/21/86/39/376218639.db2.gz NCALJXKPMMNYRZ-UHFFFAOYSA-N 0 3 292.339 1.512 10 5 CDBEHN COCCCN(C)CCNc1ccc([N+](=O)[O-])nc1 ZINC000450353074 251241438 /nfs/dbraw/zinc/24/14/38/251241438.db2.gz DEEHRDYFZLWSRN-UHFFFAOYSA-N 0 3 268.317 1.370 10 5 CDBEHN O=[N+]([O-])c1cnc2c(c1)CN(C[C@H]1CCOC1)CC2 ZINC000408196115 285184925 /nfs/dbraw/zinc/18/49/25/285184925.db2.gz ARYKPUXQXWUGBG-SNVBAGLBSA-N 0 3 263.297 1.384 10 5 CDBEHN C[C@H]1CN2CCC[C@H]2CN1c1c([N+](=O)[O-])ncn1C ZINC000265015014 391577320 /nfs/dbraw/zinc/57/73/20/391577320.db2.gz XRAJJMPMHKHFPB-UWVGGRQHSA-N 0 3 265.317 1.001 10 5 CDBEHN C[C@H]1CC(C)(C)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000412048896 391830666 /nfs/dbraw/zinc/83/06/66/391830666.db2.gz VMAKMNCIINBVKU-JTQLQIEISA-N 0 3 252.318 1.912 10 5 CDBEHN CN(C)C1(CN(C)C(=O)c2ccc([N+](=O)[O-])cn2)CCC1 ZINC000527114246 392973561 /nfs/dbraw/zinc/97/35/61/392973561.db2.gz CVGMVPJVSCKCQY-UHFFFAOYSA-N 0 3 292.339 1.546 10 5 CDBEHN CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC2)C1 ZINC000347004607 153376180 /nfs/dbraw/zinc/37/61/80/153376180.db2.gz CKHJLBKMENFFOP-AWEZNQCLSA-N 0 3 289.335 1.904 10 5 CDBEHN CC[C@@H](C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000037389496 173172372 /nfs/dbraw/zinc/17/23/72/173172372.db2.gz YTGMZFZDQDFAFW-MRVPVSSYSA-N 0 3 295.295 1.650 10 5 CDBEHN CCN1CCC[C@H](Nc2cc([N+](=O)[O-])ccn2)C1 ZINC000043567959 175067436 /nfs/dbraw/zinc/06/74/36/175067436.db2.gz OGCNEVXJWRARAD-JTQLQIEISA-N 0 3 250.302 1.886 10 5 CDBEHN CCCNCC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000044651666 175224829 /nfs/dbraw/zinc/22/48/29/175224829.db2.gz PYZJSITVIMKPEH-UHFFFAOYSA-N 0 3 255.249 1.672 10 5 CDBEHN CNC(=O)CCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000044987609 175285366 /nfs/dbraw/zinc/28/53/66/175285366.db2.gz NBDAZIXKGNDZJQ-SECBINFHSA-N 0 3 251.286 1.382 10 5 CDBEHN CCc1ccc(OCC[C@](C)(N)C(N)=O)c([N+](=O)[O-])c1 ZINC000070498050 175957688 /nfs/dbraw/zinc/95/76/88/175957688.db2.gz ZEYBTLBGBHYEAE-ZDUSSCGKSA-N 0 3 281.312 1.129 10 5 CDBEHN C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)N1C ZINC000292872082 274368470 /nfs/dbraw/zinc/36/84/70/274368470.db2.gz TXKIDUDHVBOUAA-AOOOYVTPSA-N 0 3 289.339 2.000 10 5 CDBEHN C[C@H](Cn1cncn1)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284001011 279389306 /nfs/dbraw/zinc/38/93/06/279389306.db2.gz HTKIZKZXQFIFCN-NXEZZACHSA-N 0 3 290.327 1.508 10 5 CDBEHN CC(C)CN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532139110 281922551 /nfs/dbraw/zinc/92/25/51/281922551.db2.gz VHFGUPBUIWPTLM-UHFFFAOYSA-N 0 3 294.355 1.650 10 5 CDBEHN CNCc1cc([N+](=O)[O-])ccc1OCCCC(=O)NC ZINC000068816448 522113285 /nfs/dbraw/zinc/11/32/85/522113285.db2.gz NRRFAKPYWJUFLM-UHFFFAOYSA-N 0 3 281.312 1.219 10 5 CDBEHN CN[C@](C)(C[C@@H](C)Oc1ccccc1[N+](=O)[O-])C(N)=O ZINC000068650976 522521122 /nfs/dbraw/zinc/52/11/22/522521122.db2.gz JZHQCLFNKWLPJI-NOZJJQNGSA-N 0 3 281.312 1.216 10 5 CDBEHN CCN[C@@](C)(C[C@@H](C)Oc1ccccc1[N+](=O)[O-])C(N)=O ZINC000068650943 520141532 /nfs/dbraw/zinc/14/15/32/520141532.db2.gz RHOLRTDNIARAKO-YGRLFVJLSA-N 0 3 295.339 1.606 10 5 CDBEHN CCN[C@@](C)(C[C@@H](C)Oc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000068650871 520141682 /nfs/dbraw/zinc/14/16/82/520141682.db2.gz FUXHKHFXYZTDON-YGRLFVJLSA-N 0 3 295.339 1.606 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(O[C@H]2CCC[C@@H]2O)c1 ZINC000050516739 522128387 /nfs/dbraw/zinc/12/83/87/522128387.db2.gz VLIFHLFPECQICO-RYUDHWBXSA-N 0 3 266.297 1.606 10 5 CDBEHN CN[C@](C)(COc1c(C)cc(C)cc1[N+](=O)[O-])C(N)=O ZINC000050442073 522519019 /nfs/dbraw/zinc/51/90/19/522519019.db2.gz RUVOQGIJAXAREH-CYBMUJFWSA-N 0 3 281.312 1.054 10 5 CDBEHN CN(c1ccc([N+](=O)[O-])cc1N)C1CCN(C)CC1 ZINC000052840086 523641077 /nfs/dbraw/zinc/64/10/77/523641077.db2.gz MPMKPCUUPAKBHI-UHFFFAOYSA-N 0 3 264.329 1.707 10 5 CDBEHN C[C@@H](NC[C@H]1CN(C)CCN1C)c1ccccc1[N+](=O)[O-] ZINC000068801298 525506504 /nfs/dbraw/zinc/50/65/04/525506504.db2.gz SOTZHOHPYGNBCL-OLZOCXBDSA-N 0 3 292.383 1.491 10 5 CDBEHN C[C@H](Oc1cc(CN)ccc1[N+](=O)[O-])C(=O)NC1CC1 ZINC000050516504 525922723 /nfs/dbraw/zinc/92/27/23/525922723.db2.gz QNANQHGSTPCCKP-QMMMGPOBSA-N 0 3 279.296 1.099 10 5 CDBEHN CN1CCC[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000729919517 574827723 /nfs/dbraw/zinc/82/77/23/574827723.db2.gz PHFHVESOSHREGI-XURPKSDJSA-N 0 3 289.335 1.818 10 5 CDBEHN Cc1cccc(O[C@H](C)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813108752 617345449 /nfs/dbraw/zinc/34/54/49/617345449.db2.gz AILKNTTXMLFMNT-GHMZBOCLSA-N 0 3 267.281 1.971 10 5 CDBEHN Cc1sc(=O)n(CCC(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813110036 617345749 /nfs/dbraw/zinc/34/57/49/617345749.db2.gz RCEDIKPMGZOXEZ-ZETCQYMHSA-N 0 3 288.325 1.125 10 5 CDBEHN C[C@H]1[C@H](NC(=O)c2ccccc2[N+](=O)[O-])CCN1C ZINC000928457090 619121352 /nfs/dbraw/zinc/12/13/52/619121352.db2.gz YUDLIZYKDAYNQF-GXSJLCMTSA-N 0 3 263.297 1.417 10 5 CDBEHN CN(C)CCN(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001566177511 1168249668 /nfs/dbraw/zinc/24/96/68/1168249668.db2.gz NAEHYDFJUFQJLK-UHFFFAOYSA-N 0 3 285.731 1.882 10 5 CDBEHN CC(=O)c1cccc(O[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813107277 726249616 /nfs/dbraw/zinc/24/96/16/726249616.db2.gz OIILZBJININMGA-KOLCDFICSA-N 0 3 295.291 1.865 10 5 CDBEHN Cc1cccnc1/C=C/C(=O)OCC(C)[N+](=O)[O-] ZINC000813109361 726275449 /nfs/dbraw/zinc/27/54/49/726275449.db2.gz JCLUSZJNWADHSP-BRAIEQGRSA-N 0 3 250.254 1.612 10 5 CDBEHN CC(COC(=O)C(F)(F)C1CCOCC1)[N+](=O)[O-] ZINC000813111681 726836818 /nfs/dbraw/zinc/83/68/18/726836818.db2.gz KHQHBBQMWKIZFY-ZETCQYMHSA-N 0 3 267.228 1.257 10 5 CDBEHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C)[C@@H]2C)c1 ZINC000928445182 726890768 /nfs/dbraw/zinc/89/07/68/726890768.db2.gz OZWLFQIMOJGFBB-SKDRFNHKSA-N 0 3 293.323 1.426 10 5 CDBEHN CC(COC(=O)[C@@H](C)N(C)CC(F)(F)F)[N+](=O)[O-] ZINC000813112118 726963062 /nfs/dbraw/zinc/96/30/62/726963062.db2.gz BUDOGYYEKJDDSE-NKWVEPMBSA-N 0 3 272.223 1.077 10 5 CDBEHN CCCCn1ncc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813106081 727008423 /nfs/dbraw/zinc/00/84/23/727008423.db2.gz YAOJDFVBDJHKAO-SECBINFHSA-N 0 3 269.301 1.814 10 5 CDBEHN Cc1c(CN[C@@H]2CC23CC(O)C3)cccc1[N+](=O)[O-] ZINC000724993875 727230290 /nfs/dbraw/zinc/23/02/90/727230290.db2.gz URBHCZMFJPXCTF-HRDQMINSSA-N 0 3 262.309 1.906 10 5 CDBEHN CC(COC(=O)CSC[C@H]1CCCCO1)[N+](=O)[O-] ZINC000813108790 727485903 /nfs/dbraw/zinc/48/59/03/727485903.db2.gz LTZOHJHNUGHDIH-NXEZZACHSA-N 0 3 277.342 1.497 10 5 CDBEHN Cc1nc(C2CC2)oc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813114878 728349313 /nfs/dbraw/zinc/34/93/13/728349313.db2.gz IIAYIPMVXYKLHT-ZCFIWIBFSA-N 0 3 254.242 1.682 10 5 CDBEHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](C)C1 ZINC001629369035 1166134625 /nfs/dbraw/zinc/13/46/25/1166134625.db2.gz USCKGSQWFFXLAI-JTQLQIEISA-N 0 3 280.328 1.479 10 5 CDBEHN CC[C@H](C)[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001197727475 925205968 /nfs/dbraw/zinc/20/59/68/925205968.db2.gz COVWVJKCCRXVTE-BIMULSAOSA-N 0 3 295.339 1.118 10 5 CDBEHN COc1ccc(CNCC[C@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000601147180 342481904 /nfs/dbraw/zinc/48/19/04/342481904.db2.gz IPRKIPBJQUXZQS-JTQLQIEISA-N 0 3 290.266 1.709 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000590046594 342520915 /nfs/dbraw/zinc/52/09/15/342520915.db2.gz IHERLVMHIOPZGU-SMDDNHRTSA-N 0 3 289.335 1.679 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1 ZINC000590445634 342546430 /nfs/dbraw/zinc/54/64/30/342546430.db2.gz REZFNDIWYPXTFL-RISCZKNCSA-N 0 3 289.335 1.679 10 5 CDBEHN NC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000401692956 342607579 /nfs/dbraw/zinc/60/75/79/342607579.db2.gz IAVFHYIOCMCCCX-QMMMGPOBSA-N 0 3 277.202 1.214 10 5 CDBEHN NC[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000401720589 342633741 /nfs/dbraw/zinc/63/37/41/342633741.db2.gz ZXPDOJHTBDRQIU-QMMMGPOBSA-N 0 3 277.202 1.214 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](CO)CCF ZINC000593685470 342822422 /nfs/dbraw/zinc/82/24/22/342822422.db2.gz IBHDHCGGZSUZJP-LLVKDONJSA-N 0 3 256.277 1.713 10 5 CDBEHN CN1CCC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000048768615 342271771 /nfs/dbraw/zinc/27/17/71/342271771.db2.gz AAPGCBNACJJICO-NSHDSACASA-N 0 3 278.312 1.811 10 5 CDBEHN CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](CN)C(F)(F)F ZINC000596000686 343206688 /nfs/dbraw/zinc/20/66/88/343206688.db2.gz NJTSDBUJBRHRNV-VIFPVBQESA-N 0 3 291.229 1.556 10 5 CDBEHN CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](CN)C(F)(F)F ZINC000596000681 343206704 /nfs/dbraw/zinc/20/67/04/343206704.db2.gz NJTSDBUJBRHRNV-SECBINFHSA-N 0 3 291.229 1.556 10 5 CDBEHN O=[N+]([O-])c1cncc(Cl)c1N1C[C@H]2CCC[C@@H](C1)N2 ZINC000596016832 343219590 /nfs/dbraw/zinc/21/95/90/343219590.db2.gz WCNMRNCWDKMBLW-DTORHVGOSA-N 0 3 282.731 1.974 10 5 CDBEHN C[NH+]1CCC2(CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC000596238594 343283638 /nfs/dbraw/zinc/28/36/38/343283638.db2.gz OMJNKWLYNVKUNE-UHFFFAOYSA-N 0 3 292.339 1.618 10 5 CDBEHN CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CCN(CC)C1 ZINC000596456102 343316457 /nfs/dbraw/zinc/31/64/57/343316457.db2.gz BLRAYNPZTIDDCW-JTQLQIEISA-N 0 3 280.328 1.479 10 5 CDBEHN Cc1ccc(CNC[C@@H]2COCCN2C)cc1[N+](=O)[O-] ZINC000599003291 343937432 /nfs/dbraw/zinc/93/74/32/343937432.db2.gz HPNDQBUWMYPHLW-CYBMUJFWSA-N 0 3 279.340 1.323 10 5 CDBEHN COC[C@H]1CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000293458115 362562139 /nfs/dbraw/zinc/56/21/39/362562139.db2.gz DAXUTTYOVQTDIH-LLVKDONJSA-N 0 3 293.323 1.644 10 5 CDBEHN CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CCN(C2CC2)C1 ZINC000609509401 345358321 /nfs/dbraw/zinc/35/83/21/345358321.db2.gz XFHJBKUYOXROKX-LLVKDONJSA-N 0 3 292.339 1.242 10 5 CDBEHN [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1ccc([O-])cc1[N+](=O)[O-] ZINC000085359307 179032050 /nfs/dbraw/zinc/03/20/50/179032050.db2.gz BCCQLVOEYBESPT-DTWKUNHWSA-N 0 3 265.269 1.366 10 5 CDBEHN CCCN1CCC(Nc2ncnc(NC)c2[N+](=O)[O-])CC1 ZINC000085538801 179092429 /nfs/dbraw/zinc/09/24/29/179092429.db2.gz UINOPFMMWBSVAE-UHFFFAOYSA-N 0 3 294.359 1.713 10 5 CDBEHN COC(=O)C[C@@H]1c2ccccc2[C@H](O)C1[N+](=O)[O-] ZINC000584607296 346498668 /nfs/dbraw/zinc/49/86/68/346498668.db2.gz QXUPQFHZOZQUQT-USWWRNFRSA-N 0 3 251.238 1.026 10 5 CDBEHN Cc1sc(C(=O)NCCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000066924206 349005717 /nfs/dbraw/zinc/00/57/17/349005717.db2.gz WWNNLMPCBDXHMI-UHFFFAOYSA-N 0 3 283.353 1.789 10 5 CDBEHN COc1ccc(C(=O)N2CC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000170863313 369978342 /nfs/dbraw/zinc/97/83/42/369978342.db2.gz KCSPDHWVJNWIAF-LLVKDONJSA-N 0 3 293.323 1.380 10 5 CDBEHN O=[N+]([O-])c1ccc(C2=[N+]([O-])[C@@H]3CCCC[C@@H]3[N+]([O-])=C2)cc1 ZINC000225405065 374299850 /nfs/dbraw/zinc/29/98/50/374299850.db2.gz IHKVUPKKDOPRNE-QWHCGFSZSA-N 0 3 291.307 1.583 10 5 CDBEHN C[C@@H]1[C@H](O)CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000296274265 375210419 /nfs/dbraw/zinc/21/04/19/375210419.db2.gz OOEOVYZNRAKCSP-BXUZGUMPSA-N 0 3 264.325 1.983 10 5 CDBEHN C[C@H]1COCC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000277557239 377636941 /nfs/dbraw/zinc/63/69/41/377636941.db2.gz TXUWZGXBESIQGX-QWRGUYRKSA-N 0 3 293.323 1.548 10 5 CDBEHN CNC(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000421383739 392933383 /nfs/dbraw/zinc/93/33/83/392933383.db2.gz DJQOQHRQNHKRRR-LBPRGKRZSA-N 0 3 277.324 1.471 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(N2CCO[C@H]3CCN(C)C[C@@H]32)c1 ZINC000284470049 393192104 /nfs/dbraw/zinc/19/21/04/393192104.db2.gz FTEZHIUPZZIAAT-GJZGRUSLSA-N 0 3 291.351 1.813 10 5 CDBEHN CN[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2OC)C1=O ZINC000071042991 176029091 /nfs/dbraw/zinc/02/90/91/176029091.db2.gz MWAJNGHFWBGRSZ-JTQLQIEISA-N 0 3 279.296 1.318 10 5 CDBEHN CN[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000055421318 260220229 /nfs/dbraw/zinc/22/02/29/260220229.db2.gz VVRQVVYIOBNDQC-LURJTMIESA-N 0 3 257.677 1.795 10 5 CDBEHN CN(C)C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000105924166 273801602 /nfs/dbraw/zinc/80/16/02/273801602.db2.gz FGQMKSBSNWYHSE-NSHDSACASA-N 0 3 297.330 1.496 10 5 CDBEHN O=[N+]([O-])c1cnc(N2CCN3CCC[C@@H]3C2)c(F)c1 ZINC000408473077 275041109 /nfs/dbraw/zinc/04/11/09/275041109.db2.gz YQNUXRPPNAGNIS-SECBINFHSA-N 0 3 266.276 1.413 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000154606159 289212436 /nfs/dbraw/zinc/21/24/36/289212436.db2.gz DAHILWRJSRDZCQ-AWEZNQCLSA-N 0 3 291.351 1.738 10 5 CDBEHN CCCNC(=O)[C@H](C)Oc1cc(CNC)ccc1[N+](=O)[O-] ZINC000050516811 519893571 /nfs/dbraw/zinc/89/35/71/519893571.db2.gz QJOQZFREFDONML-JTQLQIEISA-N 0 3 295.339 1.608 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(OCC(=O)NCC)c1 ZINC000050517034 520001694 /nfs/dbraw/zinc/00/16/94/520001694.db2.gz DVHXGDLUIPVXNB-UHFFFAOYSA-N 0 3 281.312 1.219 10 5 CDBEHN COCC[C@@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000052792402 521826535 /nfs/dbraw/zinc/82/65/35/521826535.db2.gz FYIMLUSOTMESLU-SECBINFHSA-N 0 3 287.703 1.551 10 5 CDBEHN CN(C)C[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1NN ZINC000061653312 521840440 /nfs/dbraw/zinc/84/04/40/521840440.db2.gz BMINFRSVWREWAO-ZDUSSCGKSA-N 0 3 293.371 1.406 10 5 CDBEHN CN[C@@H](CCSc1ccccc1[N+](=O)[O-])C(N)=O ZINC000062596732 522351961 /nfs/dbraw/zinc/35/19/61/522351961.db2.gz CBHMNBWNPQRJJQ-QMMMGPOBSA-N 0 3 269.326 1.150 10 5 CDBEHN COCCN(Cc1ccc(N)c([N+](=O)[O-])c1)[C@H](C)COC ZINC000050816921 523750833 /nfs/dbraw/zinc/75/08/33/523750833.db2.gz GDPJNVKINCQLAP-LLVKDONJSA-N 0 3 297.355 1.660 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1[C@H](C)CNC[C@H]1C ZINC000069132538 525561589 /nfs/dbraw/zinc/56/15/89/525561589.db2.gz UBFBVXGVDUCLKZ-GHMZBOCLSA-N 0 3 277.324 1.726 10 5 CDBEHN O=[N+]([O-])c1ccccc1CCN1CCC[C@H]1CO ZINC000062727294 527397303 /nfs/dbraw/zinc/39/73/03/527397303.db2.gz RQPHCMMVYHKUMZ-LBPRGKRZSA-N 0 3 250.298 1.594 10 5 CDBEHN CN(C)C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000105924164 535947781 /nfs/dbraw/zinc/94/77/81/535947781.db2.gz FGQMKSBSNWYHSE-LLVKDONJSA-N 0 3 297.330 1.496 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(Nc2cnn(CCN(C)C)c2)n1 ZINC000765479491 576028340 /nfs/dbraw/zinc/02/83/40/576028340.db2.gz DYGXUDUVFZTJAK-UHFFFAOYSA-N 0 3 290.327 1.800 10 5 CDBEHN CC(COC(=O)C(C)(C)COCC(F)F)[N+](=O)[O-] ZINC000813101649 617341980 /nfs/dbraw/zinc/34/19/80/617341980.db2.gz GEFWFZATGQVMHO-SSDOTTSWSA-N 0 3 269.244 1.503 10 5 CDBEHN CC(COC(=O)[C@@H]1OCCc2ccccc21)[N+](=O)[O-] ZINC000813108570 617345334 /nfs/dbraw/zinc/34/53/34/617345334.db2.gz ZWKUZPWGXIXYNV-JOYOIKCWSA-N 0 3 265.265 1.509 10 5 CDBEHN CCOc1ncc(C(=O)OCC(C)[N+](=O)[O-])cc1Cl ZINC000813110175 617345843 /nfs/dbraw/zinc/34/58/43/617345843.db2.gz UIXTTXHGPHJHDR-SSDOTTSWSA-N 0 3 288.687 1.956 10 5 CDBEHN CC(COC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C)[N+](=O)[O-] ZINC000813110855 617345885 /nfs/dbraw/zinc/34/58/85/617345885.db2.gz KSRWDSGDINEEBV-UTLUCORTSA-N 0 3 271.313 1.836 10 5 CDBEHN CC(C)(C)OC(=O)N1CC[C@H](NCC[N+](=O)[O-])C12CCC2 ZINC000931188167 617636952 /nfs/dbraw/zinc/63/69/52/617636952.db2.gz LKEFANGKBLTLCZ-NSHDSACASA-N 0 3 299.371 1.785 10 5 CDBEHN Cn1cc([N+](=O)[O-])c(NC[C@@H]2CCCCN2C2CC2)n1 ZINC001639883834 1166974110 /nfs/dbraw/zinc/97/41/10/1166974110.db2.gz XYHXUEMDBJGCOV-NSHDSACASA-N 0 3 279.344 1.757 10 5 CDBEHN C[C@H](NC[C@@H](O)C(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC001655555851 1171703763 /nfs/dbraw/zinc/70/37/63/1171703763.db2.gz YLUZRDBRMRODHF-JOYOIKCWSA-N 0 3 268.313 1.377 10 5 CDBEHN CCCC[C@@H](NC(=O)NCC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813111474 1163815441 /nfs/dbraw/zinc/81/54/41/1163815441.db2.gz IEACFPBKUVRSJP-NXEZZACHSA-N 0 3 289.332 1.073 10 5 CDBEHN CC(COC(=O)Cc1ccc(F)cc1F)[N+](=O)[O-] ZINC000813103651 729366940 /nfs/dbraw/zinc/36/69/40/729366940.db2.gz DGTQJIQDWQPOEL-SSDOTTSWSA-N 0 3 259.208 1.716 10 5 CDBEHN CC(COC(=O)[C@H]1CC(=O)c2ccccc21)[N+](=O)[O-] ZINC000813113220 728466323 /nfs/dbraw/zinc/46/63/23/728466323.db2.gz XVTRSVZFWVDQCH-KWQFWETISA-N 0 3 263.249 1.565 10 5 CDBEHN COC(=O)C1=CC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000862465000 729477511 /nfs/dbraw/zinc/47/75/11/729477511.db2.gz MAGVNFVTZAYHAE-LBPRGKRZSA-N 0 3 276.292 1.946 10 5 CDBEHN Cn1cc(CN[C@@H]2CCC[C@]23CCCO3)c([N+](=O)[O-])n1 ZINC000880498081 729660413 /nfs/dbraw/zinc/66/04/13/729660413.db2.gz KEWQUPSQYWPJCI-YPMHNXCESA-N 0 3 280.328 1.520 10 5 CDBEHN CC(COC(=O)CCOCC(F)(F)F)[N+](=O)[O-] ZINC000813108333 729848595 /nfs/dbraw/zinc/84/85/95/729848595.db2.gz XQMSJMXNRADHRP-LURJTMIESA-N 0 3 259.180 1.164 10 5 CDBEHN CC(COC(=O)[C@H]1CCCN1Cc1ccccc1)[N+](=O)[O-] ZINC000813113870 729867513 /nfs/dbraw/zinc/86/75/13/729867513.db2.gz VQSOUJQYEVFOEH-GXTWGEPZSA-N 0 3 292.335 1.859 10 5 CDBEHN CN1C[C@@H]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000816949271 729977860 /nfs/dbraw/zinc/97/78/60/729977860.db2.gz RPQZMNKNEDAEMF-TVQRCGJNSA-N 0 3 293.298 1.510 10 5 CDBEHN CC(COC(=O)c1csc([C@H]2CCCO2)n1)[N+](=O)[O-] ZINC000813115156 730356822 /nfs/dbraw/zinc/35/68/22/730356822.db2.gz LKVYFHBLTODCPV-IONNQARKSA-N 0 3 286.309 1.817 10 5 CDBEHN CN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001639135768 1166903231 /nfs/dbraw/zinc/90/32/31/1166903231.db2.gz LKNXOLNPFMKABB-LBPRGKRZSA-N 0 3 277.324 1.665 10 5 CDBEHN Cc1ccc(CNC[C@H](O)c2ccnn2C)cc1[N+](=O)[O-] ZINC000922974807 923405959 /nfs/dbraw/zinc/40/59/59/923405959.db2.gz YXJJWKSCCFMLQX-AWEZNQCLSA-N 0 3 290.323 1.460 10 5 CDBEHN COc1ccc(CNCCOCCCO)cc1[N+](=O)[O-] ZINC000353035989 948606469 /nfs/dbraw/zinc/60/64/69/948606469.db2.gz QBABUJGPALUDKN-UHFFFAOYSA-N 0 3 284.312 1.092 10 5 CDBEHN O=[N+]([O-])c1cc(CNCC[C@H](O)C(F)F)cs1 ZINC000601146932 342481799 /nfs/dbraw/zinc/48/17/99/342481799.db2.gz FDFOSZJBESLHPI-ZETCQYMHSA-N 0 3 266.269 1.762 10 5 CDBEHN CN1CC[C@]2(CCN(c3ccncc3[N+](=O)[O-])C2)C1 ZINC000589879240 342516190 /nfs/dbraw/zinc/51/61/90/342516190.db2.gz SJHZFCRDENSQMW-ZDUSSCGKSA-N 0 3 262.313 1.522 10 5 CDBEHN CN1C[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000590011091 342519715 /nfs/dbraw/zinc/51/97/15/342519715.db2.gz HKUMDWYKWZKUJT-OCCSQVGLSA-N 0 3 261.325 1.731 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000590011957 342519883 /nfs/dbraw/zinc/51/98/83/342519883.db2.gz NRGFTQHEIBHQAK-BXUZGUMPSA-N 0 3 291.351 1.739 10 5 CDBEHN CN1C[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590012368 342519935 /nfs/dbraw/zinc/51/99/35/342519935.db2.gz RWUJDLOXOMIHDY-TZMCWYRMSA-N 0 3 261.325 1.731 10 5 CDBEHN NC[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C(F)(F)F ZINC000401663336 342588697 /nfs/dbraw/zinc/58/86/97/342588697.db2.gz ZHIFXNKLTDQLPH-YFKPBYRVSA-N 0 3 283.231 1.276 10 5 CDBEHN Cc1c(C(=O)N[C@H](CN)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000401745127 342659220 /nfs/dbraw/zinc/65/92/20/342659220.db2.gz ULRZYYQPFWXTLF-SECBINFHSA-N 0 3 291.229 1.523 10 5 CDBEHN N[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[C@H]1F ZINC000595260846 343014445 /nfs/dbraw/zinc/01/44/45/343014445.db2.gz MFSNLFYIDFZPGF-RNFRBKRXSA-N 0 3 273.289 1.168 10 5 CDBEHN O=[N+]([O-])c1cccc(CNCC[C@]2(O)CCOC2)c1 ZINC000404171350 349767596 /nfs/dbraw/zinc/76/75/96/349767596.db2.gz OOLNJSVFIRERGM-ZDUSSCGKSA-N 0 3 266.297 1.226 10 5 CDBEHN CC[C@H](CO)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075956715 342316550 /nfs/dbraw/zinc/31/65/50/342316550.db2.gz OPCFDLRDZURVPP-CQSZACIVSA-N 0 3 293.367 1.483 10 5 CDBEHN O=[N+]([O-])c1ccccc1OCCN[C@H]1C[C@@H](O)C12CCC2 ZINC000595778797 343150061 /nfs/dbraw/zinc/15/00/61/343150061.db2.gz VGGFKNFZAPXKNP-UONOGXRCSA-N 0 3 292.335 1.867 10 5 CDBEHN C[C@]12COC[C@@H]1CN(CCOc1ccccc1[N+](=O)[O-])C2 ZINC000595759073 343143231 /nfs/dbraw/zinc/14/32/31/343143231.db2.gz OWTFNHZCXSJBSW-WFASDCNBSA-N 0 3 292.335 1.942 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595989327 343212616 /nfs/dbraw/zinc/21/26/16/343212616.db2.gz JTZBATCQHGPPQX-NXEZZACHSA-N 0 3 281.287 1.415 10 5 CDBEHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCCNC1=O ZINC000295015713 199300874 /nfs/dbraw/zinc/30/08/74/199300874.db2.gz KBDMYNNGURZCGM-YPMHNXCESA-N 0 3 291.351 1.784 10 5 CDBEHN [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccc([O-])cc1[N+](=O)[O-] ZINC000085359302 179031932 /nfs/dbraw/zinc/03/19/32/179031932.db2.gz BCCQLVOEYBESPT-IUCAKERBSA-N 0 3 265.269 1.366 10 5 CDBEHN O=[N+]([O-])c1ccc2oc([S@@](=O)[C@@H]3CCCNC3)nc2c1 ZINC000095092166 365924272 /nfs/dbraw/zinc/92/42/72/365924272.db2.gz ZAXHPKMMUXKBIB-GSDQLPOLSA-N 0 3 295.320 1.596 10 5 CDBEHN Cc1cc(C(=O)N2CC[C@@H](N(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000104898305 186030488 /nfs/dbraw/zinc/03/04/88/186030488.db2.gz NUFYGTXBMLWCAD-SNVBAGLBSA-N 0 3 292.339 1.262 10 5 CDBEHN CNc1ccc(CN(CCO)C2CC2)cc1[N+](=O)[O-] ZINC000050818007 522605495 /nfs/dbraw/zinc/60/54/95/522605495.db2.gz QSEODDPPASJRKX-UHFFFAOYSA-N 0 3 265.313 1.593 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN(C)CC1(O)CCOCC1 ZINC000188845660 357944351 /nfs/dbraw/zinc/94/43/51/357944351.db2.gz LFNRUFMFIXVPLT-UHFFFAOYSA-N 0 3 294.351 1.877 10 5 CDBEHN C[C@@H]1CC[C@H](C)N(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174882313 364588274 /nfs/dbraw/zinc/58/82/74/364588274.db2.gz ZXHUAWLAMYCKAF-MNOVXSKESA-N 0 3 252.318 1.912 10 5 CDBEHN Cc1ccc(OC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000164074715 375816494 /nfs/dbraw/zinc/81/64/94/375816494.db2.gz BEMCIUZZWMVXKQ-NSHDSACASA-N 0 3 252.270 1.270 10 5 CDBEHN O=[N+]([O-])c1cc(F)ccc1NCCN1CCC(CO)CC1 ZINC000068764333 377717912 /nfs/dbraw/zinc/71/79/12/377717912.db2.gz XWGXIHMIBKHZDI-UHFFFAOYSA-N 0 3 297.330 1.850 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CCC(c3ncc[nH]3)CC2)n1 ZINC000267106672 190304214 /nfs/dbraw/zinc/30/42/14/190304214.db2.gz WINKHMIREBUSQW-UHFFFAOYSA-N 0 3 290.327 1.394 10 5 CDBEHN CNC(=O)[C@]1(C)CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000281173942 195134264 /nfs/dbraw/zinc/13/42/64/195134264.db2.gz QXMGYFRRTNBKCH-OAHLLOKOSA-N 0 3 291.351 1.861 10 5 CDBEHN CCN[C@@H]1CCC[C@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942116 177905226 /nfs/dbraw/zinc/90/52/26/177905226.db2.gz UZKUTYVOTSDZIN-CHWSQXEVSA-N 0 3 298.364 1.899 10 5 CDBEHN C[C@@H]1CC(C)(C)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000412048897 391830716 /nfs/dbraw/zinc/83/07/16/391830716.db2.gz VMAKMNCIINBVKU-SNVBAGLBSA-N 0 3 252.318 1.912 10 5 CDBEHN CN1C[C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000425280746 393015850 /nfs/dbraw/zinc/01/58/50/393015850.db2.gz ILICMRYOWDUNCW-JOYOIKCWSA-N 0 3 280.303 1.659 10 5 CDBEHN O=C(Cc1ccccc1[N+](=O)[O-])N1CCN2CCC[C@H]2C1 ZINC000195316348 140153974 /nfs/dbraw/zinc/15/39/74/140153974.db2.gz PATDGACBXXFQJJ-ZDUSSCGKSA-N 0 3 289.335 1.444 10 5 CDBEHN CN(C)C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000362512155 159165619 /nfs/dbraw/zinc/16/56/19/159165619.db2.gz JELXYRMOAZOIHU-SNVBAGLBSA-N 0 3 280.328 1.100 10 5 CDBEHN C[C@@H](NCCCC(N)=O)c1ccccc1[N+](=O)[O-] ZINC000037658508 173606050 /nfs/dbraw/zinc/60/60/50/173606050.db2.gz QDMQNQMOGSJEKH-SECBINFHSA-N 0 3 251.286 1.511 10 5 CDBEHN C[C@H](CNCc1cc([N+](=O)[O-])c(F)cc1F)N(C)C ZINC000038087504 174099891 /nfs/dbraw/zinc/09/98/91/174099891.db2.gz ZQGFJEJFQVUQOE-MRVPVSSYSA-N 0 3 273.283 1.913 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCOC1 ZINC000038094195 174107506 /nfs/dbraw/zinc/10/75/06/174107506.db2.gz MCZBZDIYVSVGGH-JTQLQIEISA-N 0 3 266.297 1.730 10 5 CDBEHN CCNCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000044286667 175159478 /nfs/dbraw/zinc/15/94/78/175159478.db2.gz SYBILJAIMCSLBX-UHFFFAOYSA-N 0 3 257.677 1.796 10 5 CDBEHN CCCN[C@H]1CCN(c2ccc(F)c([N+](=O)[O-])c2)C1=O ZINC000071039949 176027086 /nfs/dbraw/zinc/02/70/86/176027086.db2.gz PHXHWLBWRWXRLS-NSHDSACASA-N 0 3 281.287 1.839 10 5 CDBEHN CNC(=O)NC(=O)CCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000298938623 277003412 /nfs/dbraw/zinc/00/34/12/277003412.db2.gz ODLIZTNXPPPTCM-VIFPVBQESA-N 0 3 294.311 1.091 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C(N)=O)CC[C@H]1C ZINC000248571626 280365066 /nfs/dbraw/zinc/36/50/66/280365066.db2.gz CRQBFSRRMRDDDG-YPMHNXCESA-N 0 3 291.351 1.989 10 5 CDBEHN CN(C)CCNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000050697534 521785427 /nfs/dbraw/zinc/78/54/27/521785427.db2.gz IRTIXUXZXPVTRP-UHFFFAOYSA-N 0 3 286.719 1.122 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(OCC(=O)N(C)C2CC2)c1 ZINC000050516727 522124262 /nfs/dbraw/zinc/12/42/62/522124262.db2.gz CMZSPAMWNDUXRG-UHFFFAOYSA-N 0 3 293.323 1.314 10 5 CDBEHN COC[C@](C)(CCO)NCCOc1cccc([N+](=O)[O-])c1 ZINC000079920480 522882192 /nfs/dbraw/zinc/88/21/92/522882192.db2.gz ZCKKXVOCLZWJNE-AWEZNQCLSA-N 0 3 298.339 1.351 10 5 CDBEHN C[C@H]1CNC[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000069133449 524696783 /nfs/dbraw/zinc/69/67/83/524696783.db2.gz ZSKOHXNZGARMSA-IUCAKERBSA-N 0 3 281.287 1.556 10 5 CDBEHN C[C@](N)(CCOc1cc([N+](=O)[O-])ccc1Cl)C(N)=O ZINC000069508345 525148367 /nfs/dbraw/zinc/14/83/67/525148367.db2.gz CYXWJYDFTVTLIG-NSHDSACASA-N 0 3 287.703 1.220 10 5 CDBEHN CN1CC[C@@H](CNCc2csc([N+](=O)[O-])c2)CC1=O ZINC000424190388 536449840 /nfs/dbraw/zinc/44/98/40/536449840.db2.gz OGTPNZGYWPTEKO-SECBINFHSA-N 0 3 283.353 1.614 10 5 CDBEHN N=C(N)c1ncccc1COc1cccc([N+](=O)[O-])c1 ZINC000061658800 526826010 /nfs/dbraw/zinc/82/60/10/526826010.db2.gz DMEOQGOTHIZCEL-UHFFFAOYSA-N 0 3 272.264 1.853 10 5 CDBEHN O=[N+]([O-])c1ccccc1CCN1CCC[C@@H](CO)C1 ZINC000062727281 527397598 /nfs/dbraw/zinc/39/75/98/527397598.db2.gz OCJHJSUJNHOPCH-GFCCVEGCSA-N 0 3 264.325 1.842 10 5 CDBEHN COC[C@](C)(CCO)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000255053994 536629512 /nfs/dbraw/zinc/62/95/12/536629512.db2.gz BBXBMIMHJVTHOE-PKYBCLHXSA-N 0 3 294.351 1.985 10 5 CDBEHN COc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813101694 617341819 /nfs/dbraw/zinc/34/18/19/617341819.db2.gz HCFMGWCWFXZLDR-VIFPVBQESA-N 0 3 283.280 1.455 10 5 CDBEHN CC(COC(=O)c1coc(C2CCC2)n1)[N+](=O)[O-] ZINC000813113342 617347310 /nfs/dbraw/zinc/34/73/10/617347310.db2.gz YYQIQNRVEIHSHF-SSDOTTSWSA-N 0 3 254.242 1.764 10 5 CDBEHN COc1ccc(OC)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813114173 617347724 /nfs/dbraw/zinc/34/77/24/617347724.db2.gz ZOOKGNZWNRBWDT-MRVPVSSYSA-N 0 3 269.253 1.526 10 5 CDBEHN C[C@H]1[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CCN1C ZINC000928430038 619002016 /nfs/dbraw/zinc/00/20/16/619002016.db2.gz FGRWXUCPBLOONR-CABZTGNLSA-N 0 3 295.314 1.485 10 5 CDBEHN COc1cc(C)c(C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813111742 730583932 /nfs/dbraw/zinc/58/39/32/730583932.db2.gz KSLQGZPQSZLVNI-VIFPVBQESA-N 0 3 283.280 1.834 10 5 CDBEHN CC(COC(=O)[C@@H](C)NC(=O)C1CCCCC1)[N+](=O)[O-] ZINC000813102670 730864933 /nfs/dbraw/zinc/86/49/33/730864933.db2.gz INJBXVRISHWGIR-NXEZZACHSA-N 0 3 286.328 1.280 10 5 CDBEHN CC(COC(=O)CCCC1CCOCC1)[N+](=O)[O-] ZINC000813115044 731016812 /nfs/dbraw/zinc/01/68/12/731016812.db2.gz JSXAXRQUKCZUBY-SNVBAGLBSA-N 0 3 259.302 1.792 10 5 CDBEHN CC(COC(=O)c1cc(Br)nn1C)[N+](=O)[O-] ZINC000813104533 731028095 /nfs/dbraw/zinc/02/80/95/731028095.db2.gz ODYFOLOECNSVMB-RXMQYKEDSA-N 0 3 292.089 1.005 10 5 CDBEHN CO[C@H]1C[C@@H](N(C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796216683 731466479 /nfs/dbraw/zinc/46/64/79/731466479.db2.gz IGCNVCNZKHHDDK-HZSPNIEDSA-N 0 3 280.324 1.737 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865809287 731632298 /nfs/dbraw/zinc/63/22/98/731632298.db2.gz MLUZZCYDGNPGCV-NSHDSACASA-N 0 3 295.314 1.487 10 5 CDBEHN CC(C)C(=O)N1CCCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110228 731889504 /nfs/dbraw/zinc/88/95/04/731889504.db2.gz VFIICUKIOVHMHN-MNOVXSKESA-N 0 3 286.328 1.232 10 5 CDBEHN CC[C@@H]1C[C@H](CC(=O)OCC(C)[N+](=O)[O-])CCO1 ZINC000813114854 732968598 /nfs/dbraw/zinc/96/85/98/732968598.db2.gz HUGLWBCFRFMHPI-GMTAPVOTSA-N 0 3 259.302 1.790 10 5 CDBEHN CC(COC(=O)c1cccc([S@@](C)=O)c1)[N+](=O)[O-] ZINC000813113833 733158113 /nfs/dbraw/zinc/15/81/13/733158113.db2.gz JUDVJRGHCNDFES-DCXZOGHSSA-N 0 3 271.294 1.246 10 5 CDBEHN CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C(C)(C)C1 ZINC001635809832 1166624460 /nfs/dbraw/zinc/62/44/60/1166624460.db2.gz XPIUHLBKKJZIBP-LLVKDONJSA-N 0 3 280.328 1.383 10 5 CDBEHN CC(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001266623845 895618526 /nfs/dbraw/zinc/61/85/26/895618526.db2.gz KSDMVRISZSTTAD-UHFFFAOYSA-N 0 3 251.286 1.163 10 5 CDBEHN Cc1ncc([N+](=O)[O-])n1CCN1CC(C)(C)[C@H]2COC[C@H]21 ZINC001473544568 969808621 /nfs/dbraw/zinc/80/86/21/969808621.db2.gz DAPYGNFAPXHYLY-NWDGAFQWSA-N 0 3 294.355 1.457 10 5 CDBEHN COc1cc(CN2CC[C@H]3CN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590010428 342519332 /nfs/dbraw/zinc/51/93/32/342519332.db2.gz IZZFDVFNYVREQJ-JSGCOSHPSA-N 0 3 291.351 1.739 10 5 CDBEHN CO[C@](C)(CO)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000594509449 342915018 /nfs/dbraw/zinc/91/50/18/342915018.db2.gz IMHJFIAVQWVXAW-ZDUSSCGKSA-N 0 3 268.313 1.390 10 5 CDBEHN N[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1F ZINC000595260602 343014345 /nfs/dbraw/zinc/01/43/45/343014345.db2.gz FLIOBMUOSJTOHO-GHMZBOCLSA-N 0 3 267.260 1.106 10 5 CDBEHN O=[N+]([O-])c1ccccc1OCCN[C@@H]1C[C@@H](O)C12CCC2 ZINC000595778798 343149795 /nfs/dbraw/zinc/14/97/95/343149795.db2.gz VGGFKNFZAPXKNP-ZIAGYGMSSA-N 0 3 292.335 1.867 10 5 CDBEHN COc1cc(F)c([N+](=O)[O-])c(N(C)CCN(C)C)c1 ZINC000080684697 342359125 /nfs/dbraw/zinc/35/91/25/342359125.db2.gz NGPKWIJUUKHFDM-UHFFFAOYSA-N 0 3 271.292 1.740 10 5 CDBEHN CN1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596090385 343233990 /nfs/dbraw/zinc/23/39/90/343233990.db2.gz CWVABCRJNRHDCD-JTQLQIEISA-N 0 3 278.312 1.200 10 5 CDBEHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000596438941 343321701 /nfs/dbraw/zinc/32/17/01/343321701.db2.gz AOOYKLMYDHCOOH-SNVBAGLBSA-N 0 3 294.355 1.536 10 5 CDBEHN C[C@H](NCC1(CO)COC1)c1ccccc1[N+](=O)[O-] ZINC000090606150 342396442 /nfs/dbraw/zinc/39/64/42/342396442.db2.gz GLLLRRXFUQCSRK-JTQLQIEISA-N 0 3 266.297 1.254 10 5 CDBEHN O=[N+]([O-])c1cc2c(cc1CNCC1COC1)OCCO2 ZINC000599011497 343939554 /nfs/dbraw/zinc/93/95/54/343939554.db2.gz JEKABTADUWBAIH-UHFFFAOYSA-N 0 3 280.280 1.102 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNCCN1CC[C@H](O)C1 ZINC000599018442 343945062 /nfs/dbraw/zinc/94/50/62/343945062.db2.gz IJRFBLRDZJYVKC-AWEZNQCLSA-N 0 3 279.340 1.059 10 5 CDBEHN CN1CCC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000604199754 344865411 /nfs/dbraw/zinc/86/54/11/344865411.db2.gz UXLIDXGZQUWKHX-LBPRGKRZSA-N 0 3 277.324 1.348 10 5 CDBEHN CCC[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000161726867 188542314 /nfs/dbraw/zinc/54/23/14/188542314.db2.gz CZKZVSFDQJXZBU-AWEZNQCLSA-N 0 3 293.367 1.984 10 5 CDBEHN C[C@@H]1CCCCN1CCNc1ncc([N+](=O)[O-])cn1 ZINC000273649233 192246106 /nfs/dbraw/zinc/24/61/06/192246106.db2.gz UDPPEUAEVVCCDC-SNVBAGLBSA-N 0 3 265.317 1.671 10 5 CDBEHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)n1 ZINC000331181071 357118427 /nfs/dbraw/zinc/11/84/27/357118427.db2.gz HURIHSQNFUNRNM-VHSXEESVSA-N 0 3 295.343 1.024 10 5 CDBEHN C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)CCN1C ZINC000408227048 358448398 /nfs/dbraw/zinc/44/83/98/358448398.db2.gz QPXPTMHJFRCNLN-UWVGGRQHSA-N 0 3 280.328 1.478 10 5 CDBEHN CO[C@@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000290413831 366494847 /nfs/dbraw/zinc/49/48/47/366494847.db2.gz ADHPAKPXAQGJJA-VWYCJHECSA-N 0 3 295.339 1.935 10 5 CDBEHN CC(C)(N)c1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000313658820 359151886 /nfs/dbraw/zinc/15/18/86/359151886.db2.gz KRWDUHRAPQZVJM-UHFFFAOYSA-N 0 3 279.275 1.568 10 5 CDBEHN CCN1CC[C@H](N(C)C(=O)c2c[nH]nc2[N+](=O)[O-])[C@H](C)C1 ZINC000548091092 360088937 /nfs/dbraw/zinc/08/89/37/360088937.db2.gz MXWVKBIZCANGQR-KOLCDFICSA-N 0 3 295.343 1.120 10 5 CDBEHN CSCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000178882698 372217678 /nfs/dbraw/zinc/21/76/78/372217678.db2.gz WLUTXBIYALRRPO-SNVBAGLBSA-N 0 3 282.369 1.839 10 5 CDBEHN Cc1n[nH]c(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000266046202 373784369 /nfs/dbraw/zinc/78/43/69/373784369.db2.gz FAVBRXPCIQGOLA-WCBMZHEXSA-N 0 3 295.343 1.181 10 5 CDBEHN Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000266046202 373784380 /nfs/dbraw/zinc/78/43/80/373784380.db2.gz FAVBRXPCIQGOLA-WCBMZHEXSA-N 0 3 295.343 1.181 10 5 CDBEHN Cc1ccnc(NC[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000115516254 374412626 /nfs/dbraw/zinc/41/26/26/374412626.db2.gz JBRXPVGWKDSLOW-JTQLQIEISA-N 0 3 250.302 1.804 10 5 CDBEHN O=[N+]([O-])c1cccnc1[S@@](=O)C[C@@H]1CCCCN1 ZINC000095091880 285167425 /nfs/dbraw/zinc/16/74/25/285167425.db2.gz NERBZQKUQCJNRZ-NIVTXAMTSA-N 0 3 269.326 1.240 10 5 CDBEHN O=[N+]([O-])c1cnc(NC[C@H](O)CN2CCCCC2)c(F)c1 ZINC000413054767 285180250 /nfs/dbraw/zinc/18/02/50/285180250.db2.gz OQJRDNNPLXYKEU-NSHDSACASA-N 0 3 298.318 1.388 10 5 CDBEHN Cc1ccc(N2CCCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000071349659 390486354 /nfs/dbraw/zinc/48/63/54/390486354.db2.gz MDIVERCJWBRQFN-UHFFFAOYSA-N 0 3 279.340 1.408 10 5 CDBEHN CCN(CCCO)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352544978 155262802 /nfs/dbraw/zinc/26/28/02/155262802.db2.gz FKTVUOKVEWIRIR-UHFFFAOYSA-N 0 3 268.313 1.808 10 5 CDBEHN Cc1ccc([C@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000038097556 174111630 /nfs/dbraw/zinc/11/16/30/174111630.db2.gz AAPKGXUFFMQJIC-CMPLNLGQSA-N 0 3 294.311 1.404 10 5 CDBEHN CCN1CCC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000040503196 174299665 /nfs/dbraw/zinc/29/96/65/174299665.db2.gz GLWYGVWAIJNKEW-SNVBAGLBSA-N 0 3 250.302 1.886 10 5 CDBEHN CCN[C@H]1CCN(c2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000071036925 176026165 /nfs/dbraw/zinc/02/61/65/176026165.db2.gz HCYNIERYCZSIGT-JTQLQIEISA-N 0 3 283.715 1.963 10 5 CDBEHN CN(C[C@@H]1CCN(C)C1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000071193100 176075077 /nfs/dbraw/zinc/07/50/77/176075077.db2.gz QFORHUCBJRBAKQ-SNVBAGLBSA-N 0 3 292.339 1.201 10 5 CDBEHN O=[N+]([O-])c1ccc(CN2CCC([N+](=O)[O-])C2)cc1 ZINC000071260722 176096244 /nfs/dbraw/zinc/09/62/44/176096244.db2.gz FGYNZSNZHVWHDL-NSHDSACASA-N 0 3 251.242 1.446 10 5 CDBEHN Cc1c([N+](=O)[O-])ccc(=O)n1CCN1CCCC1 ZINC000071526749 176194572 /nfs/dbraw/zinc/19/45/72/176194572.db2.gz RPKBGAZKWCWYHE-UHFFFAOYSA-N 0 3 251.286 1.161 10 5 CDBEHN CCN1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)C1 ZINC000076489305 177027536 /nfs/dbraw/zinc/02/75/36/177027536.db2.gz ANIVEYSNICBXEP-GHMZBOCLSA-N 0 3 295.339 1.990 10 5 CDBEHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@@H]1N(C)C ZINC000340745412 278156956 /nfs/dbraw/zinc/15/69/56/278156956.db2.gz QIXPBLDLWGNFPD-WDEREUQCSA-N 0 3 282.369 1.472 10 5 CDBEHN CCNCc1ccc(OC[C@@H](O)COCC)c([N+](=O)[O-])c1 ZINC000069274948 520000369 /nfs/dbraw/zinc/00/03/69/520000369.db2.gz XJTGQCLDTYJKIA-LBPRGKRZSA-N 0 3 298.339 1.481 10 5 CDBEHN CCN(CC)C(=O)COc1cc(CNC)ccc1[N+](=O)[O-] ZINC000050516886 520490373 /nfs/dbraw/zinc/49/03/73/520490373.db2.gz MLTDHNYNRDNPFX-UHFFFAOYSA-N 0 3 295.339 1.561 10 5 CDBEHN CN(C)C[C@H]1CCCN1CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000061645724 521866227 /nfs/dbraw/zinc/86/62/27/521866227.db2.gz QKIHVAQPTYDFQA-CQSZACIVSA-N 0 3 291.351 1.804 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(OCCn2ccnc2)c1 ZINC000050516676 522124048 /nfs/dbraw/zinc/12/40/48/522124048.db2.gz GXQVUDCKPDKIQK-UHFFFAOYSA-N 0 3 276.296 1.590 10 5 CDBEHN COCCN1C(=O)CC[C@H](N)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000070292925 523796229 /nfs/dbraw/zinc/79/62/29/523796229.db2.gz GGJQMFMCZKNOJW-SMDDNHRTSA-N 0 3 293.323 1.232 10 5 CDBEHN CN1CCCC[C@H]1CNC(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050708176 523799035 /nfs/dbraw/zinc/79/90/35/523799035.db2.gz KDDPFXMAJHYJBZ-NSHDSACASA-N 0 3 292.339 1.391 10 5 CDBEHN C[C@H](CN1CCCC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000049184081 524321871 /nfs/dbraw/zinc/32/18/71/524321871.db2.gz OYBLPAKRVFFSOW-SECBINFHSA-N 0 3 251.290 1.281 10 5 CDBEHN C[C@H]1CNC[C@H](C)N1C(=O)c1csc([N+](=O)[O-])c1 ZINC000069132758 524699876 /nfs/dbraw/zinc/69/98/76/524699876.db2.gz FTYRVZFAQHZCMA-YUMQZZPRSA-N 0 3 269.326 1.479 10 5 CDBEHN C[C@H](Oc1ccc([N+](=O)[O-])cc1CNC(C)(C)C)C(N)=O ZINC000062732003 525940824 /nfs/dbraw/zinc/94/08/24/525940824.db2.gz SXPRAASBKIGREX-VIFPVBQESA-N 0 3 295.339 1.736 10 5 CDBEHN NC(=O)N1CCC(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000052926204 526914895 /nfs/dbraw/zinc/91/48/95/526914895.db2.gz UHPZADBXNIOLLF-UHFFFAOYSA-N 0 3 278.312 1.228 10 5 CDBEHN C[C@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000902927004 625643895 /nfs/dbraw/zinc/64/38/95/625643895.db2.gz YLVDXOWFACKCIG-CABZTGNLSA-N 0 3 278.312 1.809 10 5 CDBEHN NC(=O)CC1(NCc2cccnc2[N+](=O)[O-])CCCCC1 ZINC001660553614 1172234765 /nfs/dbraw/zinc/23/47/65/1172234765.db2.gz YZFXWZXYXKQPKT-UHFFFAOYSA-N 0 3 292.339 1.658 10 5 CDBEHN CC(COC(=O)[C@@H]1CC(=O)c2ccccc21)[N+](=O)[O-] ZINC000813113215 735434795 /nfs/dbraw/zinc/43/47/95/735434795.db2.gz XVTRSVZFWVDQCH-GZMMTYOYSA-N 0 3 263.249 1.565 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928448226 736107354 /nfs/dbraw/zinc/10/73/54/736107354.db2.gz BRGQTVUJCRPPNH-JOYOIKCWSA-N 0 3 293.323 1.426 10 5 CDBEHN CC(C)(Cn1cc(CNC2CCCC2)nn1)[N+](=O)[O-] ZINC000864642618 733889190 /nfs/dbraw/zinc/88/91/90/733889190.db2.gz SLZXTNCZXNJKHL-UHFFFAOYSA-N 0 3 267.333 1.366 10 5 CDBEHN C[C@@H]1CC[C@H](O)CN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000817288700 734008683 /nfs/dbraw/zinc/00/86/83/734008683.db2.gz LGVAJYLQUNVVSU-DDTOSNHZSA-N 0 3 280.324 1.473 10 5 CDBEHN C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000928458907 734062626 /nfs/dbraw/zinc/06/26/26/734062626.db2.gz ZEWRPRUTMWMJJO-JOYOIKCWSA-N 0 3 263.297 1.417 10 5 CDBEHN O=[N+]([O-])c1ccc(F)cc1OC[C@H]1CNCCO1 ZINC000080745186 734315497 /nfs/dbraw/zinc/31/54/97/734315497.db2.gz VWTUBCKCPJIOID-SECBINFHSA-N 0 3 256.233 1.101 10 5 CDBEHN O=[N+]([O-])c1cccc(CNCCOC2CCOCC2)c1 ZINC000701375326 734583599 /nfs/dbraw/zinc/58/35/99/734583599.db2.gz VDXZOVQDXJCVEC-UHFFFAOYSA-N 0 3 280.324 1.880 10 5 CDBEHN CC(COC(=O)c1csc([C@H]2CCCO2)n1)[N+](=O)[O-] ZINC000813115157 734773926 /nfs/dbraw/zinc/77/39/26/734773926.db2.gz LKVYFHBLTODCPV-VXNVDRBHSA-N 0 3 286.309 1.817 10 5 CDBEHN COCCOC[C@H](O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000872231956 735226152 /nfs/dbraw/zinc/22/61/52/735226152.db2.gz VDCXMHHXEJMERC-CYBMUJFWSA-N 0 3 298.339 1.017 10 5 CDBEHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](CO)[C@H](CCO)C1 ZINC001198751302 925516628 /nfs/dbraw/zinc/51/66/28/925516628.db2.gz CJRQMTYBVBWIHT-JHJVBQTASA-N 0 3 294.351 1.579 10 5 CDBEHN Cc1c(CNC[C@H](O)Cn2cccn2)cccc1[N+](=O)[O-] ZINC000231885630 341994853 /nfs/dbraw/zinc/99/48/53/341994853.db2.gz YHCGLJMXONTJOA-ZDUSSCGKSA-N 0 3 290.323 1.250 10 5 CDBEHN C[C@@H]1[C@H](C)N(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C ZINC000590696054 342583616 /nfs/dbraw/zinc/58/36/16/342583616.db2.gz NQQYZBRUBPQDRC-ZJUUUORDSA-N 0 3 289.339 2.000 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CC[C@]3(CC3(F)F)C2)n1 ZINC000593117764 342770677 /nfs/dbraw/zinc/77/06/77/342770677.db2.gz RPAPSRWEDVHYJI-JTQLQIEISA-N 0 3 272.255 1.522 10 5 CDBEHN CN1CCC[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593455030 342802491 /nfs/dbraw/zinc/80/24/91/342802491.db2.gz GDPCXRVXTPBGOU-LBPRGKRZSA-N 0 3 295.314 1.487 10 5 CDBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CCC(=O)N1 ZINC000594988947 342993951 /nfs/dbraw/zinc/99/39/51/342993951.db2.gz SGNPRUYZUDWIGW-HJTPGIPUSA-N 0 3 289.335 1.866 10 5 CDBEHN Cc1ccc(C(=O)N2CC[C@@H](F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000595260858 343014425 /nfs/dbraw/zinc/01/44/25/343014425.db2.gz MNVOLVBYCIFICA-GHMZBOCLSA-N 0 3 281.287 1.415 10 5 CDBEHN CC[NH+](CC)[C@H](C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596078866 343227380 /nfs/dbraw/zinc/22/73/80/343227380.db2.gz ZZFDPGUDTIURPC-SECBINFHSA-N 0 3 268.317 1.838 10 5 CDBEHN CC(C)(C)N1CC[C@H]1CNc1ccncc1[N+](=O)[O-] ZINC000596308478 343293799 /nfs/dbraw/zinc/29/37/99/343293799.db2.gz SSRGAOLQLSHMRN-JTQLQIEISA-N 0 3 264.329 1.696 10 5 CDBEHN O=[N+]([O-])c1ccc(N2CCNCC2)cc1OC(F)F ZINC000204877649 342438101 /nfs/dbraw/zinc/43/81/01/342438101.db2.gz YZHNSODONQUQRV-UHFFFAOYSA-N 0 3 273.239 1.606 10 5 CDBEHN CN1CCC(CC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000273172542 192065171 /nfs/dbraw/zinc/06/51/71/192065171.db2.gz FDWZFDCAOLZOTJ-UHFFFAOYSA-N 0 3 291.351 1.943 10 5 CDBEHN O=[N+]([O-])c1cnccc1NC[C@@H]1CCN1C1CCCC1 ZINC000599163580 343972138 /nfs/dbraw/zinc/97/21/38/343972138.db2.gz DVUDWGGDCKKSCJ-LBPRGKRZSA-N 0 3 276.340 1.841 10 5 CDBEHN C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000599101676 343954678 /nfs/dbraw/zinc/95/46/78/343954678.db2.gz AFXCTMDZWBNTCM-ZJUUUORDSA-N 0 3 299.352 1.014 10 5 CDBEHN CN1CCC[C@@H]1CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963018 344668619 /nfs/dbraw/zinc/66/86/19/344668619.db2.gz RRCHIGOOZGEUKH-CABCVRRESA-N 0 3 293.367 1.486 10 5 CDBEHN CN1CCC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000604198938 344865597 /nfs/dbraw/zinc/86/55/97/344865597.db2.gz MJZMCORWJXRBBA-LLVKDONJSA-N 0 3 293.323 1.184 10 5 CDBEHN COc1cc(C[NH2+]CC[C@@H]2CCOC2)c([N+](=O)[O-])cc1[O-] ZINC000344301034 362561069 /nfs/dbraw/zinc/56/10/69/362561069.db2.gz TWAVBCLCKIVQPI-SNVBAGLBSA-N 0 3 296.323 1.825 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCc1nnnn1C ZINC000611327414 346749051 /nfs/dbraw/zinc/74/90/51/346749051.db2.gz BSOIPJULXJCDCL-SNVBAGLBSA-N 0 3 290.327 1.320 10 5 CDBEHN O=[N+]([O-])c1cnccc1NCCCN1CCC(O)CC1 ZINC000060378713 348476185 /nfs/dbraw/zinc/47/61/85/348476185.db2.gz LXKUVILPWAOAEU-UHFFFAOYSA-N 0 3 280.328 1.249 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCCC1 ZINC000042505689 348726858 /nfs/dbraw/zinc/72/68/58/348726858.db2.gz OHUQTYBMSFIRMY-JTQLQIEISA-N 0 3 292.339 1.512 10 5 CDBEHN COC[C@H](O)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000153720927 188099185 /nfs/dbraw/zinc/09/91/85/188099185.db2.gz XFRPDJQEUTXHQN-LLVKDONJSA-N 0 3 288.731 1.735 10 5 CDBEHN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000181048014 357307438 /nfs/dbraw/zinc/30/74/38/357307438.db2.gz SIHFKLODPXEQQS-SNVBAGLBSA-N 0 3 290.323 1.097 10 5 CDBEHN CN(C)CC1(NC(=O)c2ccc([N+](=O)[O-])cn2)CCC1 ZINC000545252035 363607223 /nfs/dbraw/zinc/60/72/23/363607223.db2.gz ZMLXQGLMMHNICR-UHFFFAOYSA-N 0 3 278.312 1.204 10 5 CDBEHN CCN1CC[C@H](Nc2nccc(C)c2[N+](=O)[O-])C1 ZINC000389321916 358899697 /nfs/dbraw/zinc/89/96/97/358899697.db2.gz GNEYOMUENFDVMW-JTQLQIEISA-N 0 3 250.302 1.804 10 5 CDBEHN Cc1c(CC(=O)N2CC[C@@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000119945326 359047595 /nfs/dbraw/zinc/04/75/95/359047595.db2.gz LBTXUQPCINGBTR-CYBMUJFWSA-N 0 3 291.351 1.608 10 5 CDBEHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H]1C1CC1 ZINC000453011254 359054739 /nfs/dbraw/zinc/05/47/39/359054739.db2.gz HMWBIKPVZWKWHV-CHWSQXEVSA-N 0 3 292.335 1.819 10 5 CDBEHN CN1CCC[C@@H](CNc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302026763 201306226 /nfs/dbraw/zinc/30/62/26/201306226.db2.gz IJZRSBGOTUCOCW-LBPRGKRZSA-N 0 3 279.340 1.841 10 5 CDBEHN Nc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000110414339 365044946 /nfs/dbraw/zinc/04/49/46/365044946.db2.gz QWSWLZLZOWLEAF-LLVKDONJSA-N 0 3 290.323 1.097 10 5 CDBEHN CN(C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000170864944 369979271 /nfs/dbraw/zinc/97/92/71/369979271.db2.gz UFQKQAAJXHGNQW-SNVBAGLBSA-N 0 3 281.287 1.510 10 5 CDBEHN C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)CCN1C ZINC000531883426 374514091 /nfs/dbraw/zinc/51/40/91/374514091.db2.gz XZLUUCUCTQQHFC-WDEREUQCSA-N 0 3 292.339 1.545 10 5 CDBEHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000037890365 374935663 /nfs/dbraw/zinc/93/56/63/374935663.db2.gz TUSCMQWLTNYDPB-GXSJLCMTSA-N 0 3 296.352 1.565 10 5 CDBEHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000450379970 251254902 /nfs/dbraw/zinc/25/49/02/251254902.db2.gz QNLJUUQLKPOPKT-SKDRFNHKSA-N 0 3 262.313 1.884 10 5 CDBEHN Cc1cc(N2CCCN(C3CC3)CC2)ncc1[N+](=O)[O-] ZINC000074744895 391338054 /nfs/dbraw/zinc/33/80/54/391338054.db2.gz MAGGFDPKXMQZMS-UHFFFAOYSA-N 0 3 276.340 1.973 10 5 CDBEHN COc1cc(CN(CCO)C2CCC2)ccc1[N+](=O)[O-] ZINC000439295722 391581795 /nfs/dbraw/zinc/58/17/95/391581795.db2.gz ITGCENQBJVTZDU-UHFFFAOYSA-N 0 3 280.324 1.950 10 5 CDBEHN O=[N+]([O-])c1c(F)cccc1NC[C@@H](O)CN1CCCCC1 ZINC000174683730 296496272 /nfs/dbraw/zinc/49/62/72/296496272.db2.gz KANFPORKJNSYOY-LLVKDONJSA-N 0 3 297.330 1.993 10 5 CDBEHN CN(C)C[C@@H]1CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000362498514 159161061 /nfs/dbraw/zinc/16/10/61/159161061.db2.gz MLXONKHBHQEEQU-LBPRGKRZSA-N 0 3 295.314 1.900 10 5 CDBEHN CCN1CCC[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000040503290 174299850 /nfs/dbraw/zinc/29/98/50/174299850.db2.gz WNBVUHKBZYXDLS-LLVKDONJSA-N 0 3 292.339 1.590 10 5 CDBEHN CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000040633255 174359477 /nfs/dbraw/zinc/35/94/77/174359477.db2.gz PVHAJNDLWOHYHC-GXSJLCMTSA-N 0 3 279.296 1.219 10 5 CDBEHN CN[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1=O ZINC000071036980 176026157 /nfs/dbraw/zinc/02/61/57/176026157.db2.gz VYRCJDYTBQPUSE-SECBINFHSA-N 0 3 253.233 1.059 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1N1CC[C@H](NC2CC2)C1=O ZINC000071038641 176027084 /nfs/dbraw/zinc/02/70/84/176027084.db2.gz FHNDGEKRNQJWJT-NSHDSACASA-N 0 3 291.307 1.461 10 5 CDBEHN Cc1c([N+](=O)[O-])cccc1N1CCCN(CCO)CC1 ZINC000071349517 176132787 /nfs/dbraw/zinc/13/27/87/176132787.db2.gz JQNUAQKEHQVNGX-UHFFFAOYSA-N 0 3 279.340 1.408 10 5 CDBEHN Cc1cc(N2CCCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000071349665 176133742 /nfs/dbraw/zinc/13/37/42/176133742.db2.gz IGIXTRNNEHIQDW-UHFFFAOYSA-N 0 3 279.340 1.408 10 5 CDBEHN Cn1cnc(CCNCc2ccc([N+](=O)[O-])cc2F)c1 ZINC000313287822 270324707 /nfs/dbraw/zinc/32/47/07/270324707.db2.gz XPSHEQTUGBXRKE-UHFFFAOYSA-N 0 3 278.287 1.800 10 5 CDBEHN C[C@@H](Cn1cncn1)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284001017 274233505 /nfs/dbraw/zinc/23/35/05/274233505.db2.gz HTKIZKZXQFIFCN-UWVGGRQHSA-N 0 3 290.327 1.508 10 5 CDBEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000282196090 288839335 /nfs/dbraw/zinc/83/93/35/288839335.db2.gz CGFRWMDNFUUWBF-CABZTGNLSA-N 0 3 263.297 1.352 10 5 CDBEHN C[C@@H]1C[C@@H](C)CN(CCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000046880801 482436019 /nfs/dbraw/zinc/43/60/19/482436019.db2.gz LCSXIXGVCNQSHY-GHMZBOCLSA-N 0 3 295.339 1.896 10 5 CDBEHN CNCc1cnn(Cc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000054719163 522149588 /nfs/dbraw/zinc/14/95/88/522149588.db2.gz CTKBYEVGSMZETP-UHFFFAOYSA-N 0 3 264.260 1.698 10 5 CDBEHN CN[C@@H](CCOc1c(C)cc(C)cc1[N+](=O)[O-])C(N)=O ZINC000062595608 522346441 /nfs/dbraw/zinc/34/64/41/522346441.db2.gz PPLSVNGZBNFHBX-JTQLQIEISA-N 0 3 281.312 1.054 10 5 CDBEHN CC(C)N[C@H](CCOc1ccc(F)cc1[N+](=O)[O-])C(N)=O ZINC000062595966 519738599 /nfs/dbraw/zinc/73/85/99/519738599.db2.gz BOEGWSSWLFCRTL-SNVBAGLBSA-N 0 3 299.302 1.355 10 5 CDBEHN CN[C@](C)(C[C@H](C)Oc1ccc([N+](=O)[O-])c(F)c1)C(N)=O ZINC000068652470 522522574 /nfs/dbraw/zinc/52/25/74/522522574.db2.gz XGRNMKRRONTLDN-ISVAXAHUSA-N 0 3 299.302 1.355 10 5 CDBEHN O=[N+]([O-])c1cccc(CNCCOC[C@H]2CCCO2)c1 ZINC000115625293 1174942422 /nfs/dbraw/zinc/94/24/22/1174942422.db2.gz YGEYMLDVCAORKC-CQSZACIVSA-N 0 3 280.324 1.880 10 5 CDBEHN CC(COC(=O)c1noc2c1CCCC2)[N+](=O)[O-] ZINC000813111056 617345878 /nfs/dbraw/zinc/34/58/78/617345878.db2.gz BKIBVKHWTZCPQR-SSDOTTSWSA-N 0 3 254.242 1.375 10 5 CDBEHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1F ZINC000813109516 1163816789 /nfs/dbraw/zinc/81/67/89/1163816789.db2.gz KITZUHPTNKOVBL-SSDOTTSWSA-N 0 3 257.217 1.656 10 5 CDBEHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1CC(C)C ZINC000813103728 736496040 /nfs/dbraw/zinc/49/60/40/736496040.db2.gz GMVMPUYFCSPPFK-SECBINFHSA-N 0 3 269.301 1.670 10 5 CDBEHN COC(=O)[C@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776279770 736659048 /nfs/dbraw/zinc/65/90/48/736659048.db2.gz YVFVPGMRVGEEMQ-AAEUAGOBSA-N 0 3 294.307 1.123 10 5 CDBEHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000816949272 736959298 /nfs/dbraw/zinc/95/92/98/736959298.db2.gz RPQZMNKNEDAEMF-ZANVPECISA-N 0 3 293.298 1.510 10 5 CDBEHN CC(COC(=O)[C@@H]1CCCN1Cc1ccccc1)[N+](=O)[O-] ZINC000813113872 737190194 /nfs/dbraw/zinc/19/01/94/737190194.db2.gz VQSOUJQYEVFOEH-JSGCOSHPSA-N 0 3 292.335 1.859 10 5 CDBEHN CC(COC(=O)c1ccc([S@@](C)=O)cc1)[N+](=O)[O-] ZINC000813113637 737206651 /nfs/dbraw/zinc/20/66/51/737206651.db2.gz HFTNKSLHZSDCMS-NTCNTBNZSA-N 0 3 271.294 1.246 10 5 CDBEHN COCCOC1CCC(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813110313 737328301 /nfs/dbraw/zinc/32/83/01/737328301.db2.gz XHOPIHFAWSJMLI-UNXYVOJBSA-N 0 3 289.328 1.417 10 5 CDBEHN CC(C)Cn1cc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813113753 737909265 /nfs/dbraw/zinc/90/92/65/737909265.db2.gz USDRPBBBZKECEY-VIFPVBQESA-N 0 3 255.274 1.361 10 5 CDBEHN CCOC(=O)C[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000859318111 739077428 /nfs/dbraw/zinc/07/74/28/739077428.db2.gz BVYDRGOSCMMABR-GXFFZTMASA-N 0 3 296.323 1.560 10 5 CDBEHN COCc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813107156 736638669 /nfs/dbraw/zinc/63/86/69/736638669.db2.gz LFOOKXZWBXQUNG-SECBINFHSA-N 0 3 253.254 1.655 10 5 CDBEHN CC(COC(=O)c1occc1Br)[N+](=O)[O-] ZINC000813107882 736868182 /nfs/dbraw/zinc/86/81/82/736868182.db2.gz YLEKIBJBFFTHKM-YFKPBYRVSA-N 0 3 278.058 1.864 10 5 CDBEHN Cc1csc(CCC(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813111839 737043625 /nfs/dbraw/zinc/04/36/25/737043625.db2.gz ATOORZGFNGJDEF-QMMMGPOBSA-N 0 3 258.299 1.593 10 5 CDBEHN CC(COC(=O)c1ccnn1C1CCOCC1)[N+](=O)[O-] ZINC000851036371 737708461 /nfs/dbraw/zinc/70/84/61/737708461.db2.gz ILXTZJCZYWQGKB-VIFPVBQESA-N 0 3 283.284 1.057 10 5 CDBEHN CC(COC(=O)c1cc(C2CC2)n(C)n1)[N+](=O)[O-] ZINC000813111222 738212796 /nfs/dbraw/zinc/21/27/96/738212796.db2.gz DCFYYTDJZKVESA-SSDOTTSWSA-N 0 3 253.258 1.120 10 5 CDBEHN Cc1c(CN2C[C@@H](CO)[C@H](CCO)C2)cccc1[N+](=O)[O-] ZINC001176964292 914403677 /nfs/dbraw/zinc/40/36/77/914403677.db2.gz AFLWSLSEXBLVNT-KGLIPLIRSA-N 0 3 294.351 1.326 10 5 CDBEHN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)C[C@H](C)N1 ZINC001148882325 932805019 /nfs/dbraw/zinc/80/50/19/932805019.db2.gz XASVCMCFJNUPKO-WDEREUQCSA-N 0 3 292.339 1.511 10 5 CDBEHN Cc1nc(NC[C@@H]2CCN2C(C)(C)C)ncc1[N+](=O)[O-] ZINC001118536940 937637567 /nfs/dbraw/zinc/63/75/67/937637567.db2.gz LYXANFMANMZTPP-JTQLQIEISA-N 0 3 279.344 1.978 10 5 CDBEHN C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC001544079309 967336550 /nfs/dbraw/zinc/33/65/50/967336550.db2.gz LTNSRCAIKQXIID-ZJUUUORDSA-N 0 3 295.343 1.311 10 5 CDBEHN CCN1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@@H]1C ZINC000588006086 342491029 /nfs/dbraw/zinc/49/10/29/342491029.db2.gz UMIMYWJQPOPELV-JTQLQIEISA-N 0 3 294.355 1.200 10 5 CDBEHN O=[N+]([O-])c1ccc(OCCNC[C@@H](O)C(F)(F)F)cc1 ZINC000236559751 342054899 /nfs/dbraw/zinc/05/48/99/342054899.db2.gz VJESHECHDXJTQE-SNVBAGLBSA-N 0 3 294.229 1.486 10 5 CDBEHN [NH3+]CC[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000593727049 342829566 /nfs/dbraw/zinc/82/95/66/342829566.db2.gz BHCYJNXOHWPOLB-NSHDSACASA-N 0 3 279.340 1.861 10 5 CDBEHN CO[C@@](C)(CO)CNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000594509660 342915040 /nfs/dbraw/zinc/91/50/40/342915040.db2.gz JZVFRHJIESFLRU-WASHYIJTSA-N 0 3 294.351 1.985 10 5 CDBEHN COc1ccc(CN[C@@H](CO)C2CCC2)cc1[N+](=O)[O-] ZINC000594956292 342983319 /nfs/dbraw/zinc/98/33/19/342983319.db2.gz IZNWTRVAIQKKIU-LBPRGKRZSA-N 0 3 280.324 1.854 10 5 CDBEHN O=[N+]([O-])c1cccc(OCCN2CCC3(COC3)C2)c1 ZINC000595836547 343171290 /nfs/dbraw/zinc/17/12/90/343171290.db2.gz ZPTGKKVMHZIZPW-UHFFFAOYSA-N 0 3 278.308 1.696 10 5 CDBEHN CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H](CN)C(F)(F)F ZINC000595991662 343212466 /nfs/dbraw/zinc/21/24/66/343212466.db2.gz FXENFVIXGUYIFR-LURJTMIESA-N 0 3 281.190 1.149 10 5 CDBEHN CN1CCOC[C@@H]1CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000599004674 343937845 /nfs/dbraw/zinc/93/78/45/343937845.db2.gz WZDUECXBJDVENK-YVZNUBBCSA-N 0 3 291.351 1.528 10 5 CDBEHN Cc1ccc(CNCCc2cn[nH]c2)cc1[N+](=O)[O-] ZINC000289914396 362500771 /nfs/dbraw/zinc/50/07/71/362500771.db2.gz RVXDHEPGZQSCGZ-UHFFFAOYSA-N 0 3 260.297 1.959 10 5 CDBEHN O=[N+]([O-])c1ccc(NC2CCN([C@H]3CCOC3)CC2)cn1 ZINC000089603084 347599508 /nfs/dbraw/zinc/59/95/08/347599508.db2.gz FAKFXBVWYATBHU-ZDUSSCGKSA-N 0 3 292.339 1.655 10 5 CDBEHN C[C@@H](O)C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154224238 188130048 /nfs/dbraw/zinc/13/00/48/188130048.db2.gz WFYHEUJDJIPRKG-IAQYHMDHSA-N 0 3 294.351 1.721 10 5 CDBEHN CC(=O)[C@](C)(O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000347795870 359648175 /nfs/dbraw/zinc/64/81/75/359648175.db2.gz XXANLAGJSKYKKV-QMTHXVAHSA-N 0 3 280.324 1.894 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN(C)CCN(C)C ZINC000289699554 360234318 /nfs/dbraw/zinc/23/43/18/360234318.db2.gz GBAYKVJUMMHYNA-UHFFFAOYSA-N 0 3 251.330 1.897 10 5 CDBEHN Cc1cc(N(C)[C@H]2CCN(C3CC3)C2)ncc1[N+](=O)[O-] ZINC000348175114 360556124 /nfs/dbraw/zinc/55/61/24/360556124.db2.gz CZKJLQAZNVXDHJ-LBPRGKRZSA-N 0 3 276.340 1.971 10 5 CDBEHN O=[N+]([O-])c1ccc(CCN2CCNC[C@H]2C(F)F)cc1 ZINC000581012020 363962351 /nfs/dbraw/zinc/96/23/51/363962351.db2.gz OKFCZGOSRNTEQV-LBPRGKRZSA-N 0 3 285.294 1.676 10 5 CDBEHN Cc1sc(C(=O)NC[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000298351382 373512438 /nfs/dbraw/zinc/51/24/38/373512438.db2.gz NGCWDLLDHQKBEA-SSDOTTSWSA-N 0 3 271.342 1.645 10 5 CDBEHN Cc1cc(N2C[C@H](C)N(CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000419002019 374271138 /nfs/dbraw/zinc/27/11/38/374271138.db2.gz LXHMMFOKXOZXGK-STQMWFEESA-N 0 3 293.367 1.795 10 5 CDBEHN NC1(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000306595393 375773247 /nfs/dbraw/zinc/77/32/47/375773247.db2.gz KXMXKYMAPDWTLX-UHFFFAOYSA-N 0 3 258.075 1.700 10 5 CDBEHN Cc1ccnc(N2CCCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000172278067 377412397 /nfs/dbraw/zinc/41/23/97/377412397.db2.gz XVFOZZYONQDMDF-UHFFFAOYSA-N 0 3 276.340 1.973 10 5 CDBEHN CN(C/C=C/c1ccccc1[N+](=O)[O-])CCCO ZINC000281762533 195369925 /nfs/dbraw/zinc/36/99/25/195369925.db2.gz LNMNUCVXWWVPFJ-QPJJXVBHSA-N 0 3 250.298 1.922 10 5 CDBEHN CC(C)N(C/C=C\c1ccccc1[N+](=O)[O-])C[C@H](O)CO ZINC000421409777 392935043 /nfs/dbraw/zinc/93/50/43/392935043.db2.gz NNOVCBLDWGQIQG-VSKVDJIOSA-N 0 3 294.351 1.672 10 5 CDBEHN CCN1CCC[C@H](Nc2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000040503189 174299549 /nfs/dbraw/zinc/29/95/49/174299549.db2.gz AWLNSOWZGSKDBP-JTQLQIEISA-N 0 3 267.333 1.533 10 5 CDBEHN CC(C)(C)NC(=O)CNCCc1ccc([N+](=O)[O-])cc1 ZINC000040676135 174373765 /nfs/dbraw/zinc/37/37/65/174373765.db2.gz FNVTYACMPCHGCX-UHFFFAOYSA-N 0 3 279.340 1.642 10 5 CDBEHN CCC[C@@H](N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000040859142 174425162 /nfs/dbraw/zinc/42/51/62/174425162.db2.gz JLDQRRDAWPGJOZ-MRVPVSSYSA-N 0 3 295.295 1.432 10 5 CDBEHN COCCOCCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000044694018 175235122 /nfs/dbraw/zinc/23/51/22/175235122.db2.gz KHYRXSMHJZVJEU-LLVKDONJSA-N 0 3 268.313 1.908 10 5 CDBEHN CC[C@H](NCCC(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000044988538 175285826 /nfs/dbraw/zinc/28/58/26/175285826.db2.gz FKVXGROHWSIQOE-LBPRGKRZSA-N 0 3 265.313 1.772 10 5 CDBEHN O=[N+]([O-])c1cccc(CNC[C@@H]2CCC[C@H]2O)c1 ZINC000089161789 270232587 /nfs/dbraw/zinc/23/25/87/270232587.db2.gz CGKYSVLRXKKTDN-WCQYABFASA-N 0 3 250.298 1.845 10 5 CDBEHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)[C@H](C)CN1 ZINC000086471124 274364359 /nfs/dbraw/zinc/36/43/59/274364359.db2.gz VIVCGBZEPBRJFU-HTQZYQBOSA-N 0 3 277.284 1.318 10 5 CDBEHN Cc1cc(N2CCO[C@@H](CN(C)C)C2)ccc1[N+](=O)[O-] ZINC000108951855 274708768 /nfs/dbraw/zinc/70/87/68/274708768.db2.gz FASAAWUMZQLTLC-ZDUSSCGKSA-N 0 3 279.340 1.670 10 5 CDBEHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554861016 290195283 /nfs/dbraw/zinc/19/52/83/290195283.db2.gz ZXYBXBNPKJLVIN-UWVGGRQHSA-N 0 3 295.343 1.311 10 5 CDBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C ZINC000184783871 518441734 /nfs/dbraw/zinc/44/17/34/518441734.db2.gz PZEUGOHEBAJOTI-ZHACJKMWSA-N 0 3 277.324 1.676 10 5 CDBEHN CN1CCC(Nc2ccc([N+](=O)[O-])cc2N)CC1 ZINC000052840490 523778765 /nfs/dbraw/zinc/77/87/65/523778765.db2.gz CIIMYGOPTFSXQW-UHFFFAOYSA-N 0 3 250.302 1.683 10 5 CDBEHN Cc1cc(C)c(OCC[C@](C)(N)C(N)=O)c([N+](=O)[O-])c1 ZINC000050442062 524311037 /nfs/dbraw/zinc/31/10/37/524311037.db2.gz LLEHBCJEBROHCZ-ZDUSSCGKSA-N 0 3 281.312 1.183 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](O)C1 ZINC000183227867 525563656 /nfs/dbraw/zinc/56/36/56/525563656.db2.gz FXGNXQOUHBXZNP-CYBMUJFWSA-N 0 3 250.298 1.860 10 5 CDBEHN Cc1nn(Cc2nc(NN)ccc2Cl)c(C)c1[N+](=O)[O-] ZINC000061639297 526299067 /nfs/dbraw/zinc/29/90/67/526299067.db2.gz OWKTWOUYSATPNB-UHFFFAOYSA-N 0 3 296.718 1.790 10 5 CDBEHN N=C(N)c1ncccc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000061658810 526825299 /nfs/dbraw/zinc/82/52/99/526825299.db2.gz YKZSZCWCBATOFN-UHFFFAOYSA-N 0 3 290.254 1.992 10 5 CDBEHN NCc1ccc(OCc2ncccn2)c([N+](=O)[O-])c1 ZINC000054458277 527257927 /nfs/dbraw/zinc/25/79/27/527257927.db2.gz PPWHXEAIFOMCLT-UHFFFAOYSA-N 0 3 260.253 1.423 10 5 CDBEHN CCN(CCNC(=O)c1nn(CC)cc1[N+](=O)[O-])C1CC1 ZINC000191800802 528506723 /nfs/dbraw/zinc/50/67/23/528506723.db2.gz LDLQOJAXSCDYDN-UHFFFAOYSA-N 0 3 295.343 1.025 10 5 CDBEHN CC(COC(=O)COc1ccccc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813104757 617343017 /nfs/dbraw/zinc/34/30/17/617343017.db2.gz RCSQZDITUQXYKA-MRVPVSSYSA-N 0 3 284.224 1.182 10 5 CDBEHN CC(COC(=O)C1CCN(CC(F)F)CC1)[N+](=O)[O-] ZINC000813106203 617343416 /nfs/dbraw/zinc/34/34/16/617343416.db2.gz ALGYPUXWOODRIB-QMMMGPOBSA-N 0 3 280.271 1.172 10 5 CDBEHN CC(COC(=O)/C=C\c1cncc(F)c1)[N+](=O)[O-] ZINC000813106865 617343974 /nfs/dbraw/zinc/34/39/74/617343974.db2.gz IXWVGOSWFPGSIS-YAJNLLPGSA-N 0 3 254.217 1.442 10 5 CDBEHN CC(COC(=O)Cc1cc(F)cc2c1OCOC2)[N+](=O)[O-] ZINC000813112543 617346913 /nfs/dbraw/zinc/34/69/13/617346913.db2.gz IBHKCMGEYCMDDT-QMMMGPOBSA-N 0 3 299.254 1.443 10 5 CDBEHN C[C@H]1[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000902925954 625639435 /nfs/dbraw/zinc/63/94/35/625639435.db2.gz QSJQJSWOIBRFGN-CABZTGNLSA-N 0 3 278.312 1.809 10 5 CDBEHN Cc1cc(N2CC(N[C@H]3CCOC3)C2)c(F)cc1[N+](=O)[O-] ZINC001651456897 1171325907 /nfs/dbraw/zinc/32/59/07/1171325907.db2.gz JHVRVMVMJBURAH-JTQLQIEISA-N 0 3 295.314 1.609 10 5 CDBEHN CC(COC(=O)c1cc(C2CC2)n(C)n1)[N+](=O)[O-] ZINC000813111223 1163815976 /nfs/dbraw/zinc/81/59/76/1163815976.db2.gz DCFYYTDJZKVESA-ZETCQYMHSA-N 0 3 253.258 1.120 10 5 CDBEHN Cc1n[nH]c(C(=O)N2CCN(C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871153870 739594955 /nfs/dbraw/zinc/59/49/55/739594955.db2.gz VKHHNLMYGFUMPR-UHFFFAOYSA-N 0 3 295.343 1.183 10 5 CDBEHN Cc1[nH]nc(C(=O)N2CCN(C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871153870 739594967 /nfs/dbraw/zinc/59/49/67/739594967.db2.gz VKHHNLMYGFUMPR-UHFFFAOYSA-N 0 3 295.343 1.183 10 5 CDBEHN CC[S@@](=O)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788591998 740821592 /nfs/dbraw/zinc/82/15/92/740821592.db2.gz JTPDPFFAIHIXNG-AYLIAGHASA-N 0 3 285.369 1.596 10 5 CDBEHN COCCN(C)CCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872030592 741012010 /nfs/dbraw/zinc/01/20/10/741012010.db2.gz IGYXAIQPPLOYAL-LLVKDONJSA-N 0 3 299.346 1.963 10 5 CDBEHN Cc1nn(C)c(N[C@@H]2CCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000719622512 741368083 /nfs/dbraw/zinc/36/80/83/741368083.db2.gz FVNFOUKXHGVDGN-RKDXNWHRSA-N 0 3 253.306 1.141 10 5 CDBEHN C[C@@H](NC[C@@H](O)CC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000872200544 741637832 /nfs/dbraw/zinc/63/78/32/741637832.db2.gz IOVHZELOUOYATE-MFKMUULPSA-N 0 3 282.340 1.767 10 5 CDBEHN CC(COC(=O)[C@H](C)Sc1ccccn1)[N+](=O)[O-] ZINC000813115629 742293158 /nfs/dbraw/zinc/29/31/58/742293158.db2.gz WTCMXLOQTPGLQB-BDAKNGLRSA-N 0 3 270.310 1.771 10 5 CDBEHN CC(COC(=O)CC1CCC2(CC1)OCCO2)[N+](=O)[O-] ZINC000813108124 739624299 /nfs/dbraw/zinc/62/42/99/739624299.db2.gz ASJPKZJGFAEGRO-JTQLQIEISA-N 0 3 287.312 1.518 10 5 CDBEHN CO[C@@](C)(C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813111990 740005199 /nfs/dbraw/zinc/00/51/99/740005199.db2.gz MHEUJALXBBBFNG-GXFFZTMASA-N 0 3 267.281 1.757 10 5 CDBEHN CC(COC(=O)CCCc1nc(C(C)(C)C)no1)[N+](=O)[O-] ZINC000813102722 740052494 /nfs/dbraw/zinc/05/24/94/740052494.db2.gz JOHKKWWJSGDPTF-SECBINFHSA-N 0 3 299.327 1.898 10 5 CDBEHN Cc1cc(C(=O)N[C@H]2CN(C)CC2(C)C)cc([N+](=O)[O-])c1 ZINC001178708175 915599127 /nfs/dbraw/zinc/59/91/27/915599127.db2.gz CXYNKXVBCBPCGJ-ZDUSSCGKSA-N 0 3 291.351 1.973 10 5 CDBEHN Cc1c(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590043746 342520461 /nfs/dbraw/zinc/52/04/61/342520461.db2.gz FPTPTXAGTKSCCD-BXUZGUMPSA-N 0 3 289.335 1.679 10 5 CDBEHN Cc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000590441695 342546131 /nfs/dbraw/zinc/54/61/31/342546131.db2.gz DGZDBUNQRCVKAA-TZMCWYRMSA-N 0 3 289.335 1.679 10 5 CDBEHN Cc1cccc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000590443526 342546404 /nfs/dbraw/zinc/54/64/04/342546404.db2.gz KPPWNRWILGTQTM-WCQYABFASA-N 0 3 289.335 1.679 10 5 CDBEHN NC(=O)[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000593670497 342820799 /nfs/dbraw/zinc/82/07/99/342820799.db2.gz RWPLLQURGFFVMA-DTORHVGOSA-N 0 3 267.260 1.087 10 5 CDBEHN COc1cc(CN(C[C@H](C)O)C2CC2)ccc1[N+](=O)[O-] ZINC000594066374 342870211 /nfs/dbraw/zinc/87/02/11/342870211.db2.gz WITUHTVGTQFMKH-JTQLQIEISA-N 0 3 280.324 1.949 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000594612945 342927475 /nfs/dbraw/zinc/92/74/75/342927475.db2.gz PWNWLODSHITRMX-LSDHHAIUSA-N 0 3 291.351 1.154 10 5 CDBEHN C[C@@H](NCC[C@]1(O)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000404203813 349768620 /nfs/dbraw/zinc/76/86/20/349768620.db2.gz OWPAMVZLRYIYSJ-RISCZKNCSA-N 0 3 280.324 1.787 10 5 CDBEHN O=[N+]([O-])c1ccc(OCCN[C@@H]2C[C@H](O)C23CCC3)cc1 ZINC000595777588 343149376 /nfs/dbraw/zinc/14/93/76/343149376.db2.gz HOQNYHZHHZSIHN-KGLIPLIRSA-N 0 3 292.335 1.867 10 5 CDBEHN C[C@H](CN1CCC(C)CC1)Nc1ccncc1[N+](=O)[O-] ZINC000596488252 343329115 /nfs/dbraw/zinc/32/91/15/343329115.db2.gz PEUIWXSMESONMX-GFCCVEGCSA-N 0 3 278.356 1.944 10 5 CDBEHN CN(CCc1cn(C)nn1)CCc1ccccc1[N+](=O)[O-] ZINC000599412974 344035521 /nfs/dbraw/zinc/03/55/21/344035521.db2.gz QRGSGELRXMZVCA-UHFFFAOYSA-N 0 3 289.339 1.440 10 5 CDBEHN COc1ccc(CNC[C@@H](O)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000598991380 343936141 /nfs/dbraw/zinc/93/61/41/343936141.db2.gz YECPLZMRFODPNV-OCCSQVGLSA-N 0 3 296.323 1.233 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1COCCN1C ZINC000599079733 343956789 /nfs/dbraw/zinc/95/67/89/343956789.db2.gz NJLATCADRXJTSO-OCCSQVGLSA-N 0 3 293.367 1.884 10 5 CDBEHN COc1cc(CN(C)[C@H]2C[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000599644072 344112128 /nfs/dbraw/zinc/11/21/28/344112128.db2.gz HSBLBUDNTMSQAS-PHIMTYICSA-N 0 3 293.323 1.299 10 5 CDBEHN C[C@@](CO)(NC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000602965280 344668964 /nfs/dbraw/zinc/66/89/64/344668964.db2.gz BKSYYSFACDNXHL-KGLIPLIRSA-N 0 3 280.324 1.571 10 5 CDBEHN C[C@](CO)(NC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000602965282 344669355 /nfs/dbraw/zinc/66/93/55/344669355.db2.gz BKSYYSFACDNXHL-ZIAGYGMSSA-N 0 3 280.324 1.571 10 5 CDBEHN COc1cc(CNC[C@@H]2CCCO2)c([N+](=O)[O-])cc1O ZINC000101588950 345989086 /nfs/dbraw/zinc/98/90/86/345989086.db2.gz RCDSUTWPHCNLRC-JTQLQIEISA-N 0 3 282.296 1.578 10 5 CDBEHN CC[C@H](CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000610773211 346404302 /nfs/dbraw/zinc/40/43/02/346404302.db2.gz LZRPHSHJPPEPGR-LLVKDONJSA-N 0 3 292.339 1.594 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN1CC[C@H]2OCCN[C@H]2C1 ZINC000404185565 346685303 /nfs/dbraw/zinc/68/53/03/346685303.db2.gz JIAOZASPRQCZKN-GXTWGEPZSA-N 0 3 277.324 1.158 10 5 CDBEHN COC(=O)[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCN1 ZINC000013747233 357280619 /nfs/dbraw/zinc/28/06/19/357280619.db2.gz BLBRFFAJTBEQKE-STQMWFEESA-N 0 3 278.308 1.994 10 5 CDBEHN CN(CCN1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593882374 358617471 /nfs/dbraw/zinc/61/74/71/358617471.db2.gz DKMCECYSEXUAHQ-UHFFFAOYSA-N 0 3 292.339 1.548 10 5 CDBEHN CCN1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000389746799 373139370 /nfs/dbraw/zinc/13/93/70/373139370.db2.gz ULPBYWVCJTTYSG-SNVBAGLBSA-N 0 3 281.287 1.558 10 5 CDBEHN Cc1ccnc(N2CC[C@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000115516843 374412737 /nfs/dbraw/zinc/41/27/37/374412737.db2.gz RBPXQQLWMOSBLA-JTQLQIEISA-N 0 3 250.302 1.439 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCN(C)C ZINC000080390340 374465032 /nfs/dbraw/zinc/46/50/32/374465032.db2.gz YYOXPLHUFISDIU-UHFFFAOYSA-N 0 3 265.313 1.537 10 5 CDBEHN O=[N+]([O-])c1ccc(CCN2CC[C@H](c3nnc[nH]3)C2)cc1 ZINC000425541068 374443801 /nfs/dbraw/zinc/44/38/01/374443801.db2.gz FPCIASHFLZGVHM-LBPRGKRZSA-N 0 3 287.323 1.745 10 5 CDBEHN CN(CC1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531628610 374503694 /nfs/dbraw/zinc/50/36/94/374503694.db2.gz PNBAXWNBVFDMGO-UHFFFAOYSA-N 0 3 292.339 1.404 10 5 CDBEHN COC[C@@](C)(O)CCNCc1csc([N+](=O)[O-])c1 ZINC000449383564 374804122 /nfs/dbraw/zinc/80/41/22/374804122.db2.gz IHYVLBUHYJEEMA-NSHDSACASA-N 0 3 274.342 1.533 10 5 CDBEHN CCOC[C@@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266765574 375266885 /nfs/dbraw/zinc/26/68/85/375266885.db2.gz HSZXUECVORAEBA-MNOVXSKESA-N 0 3 268.313 1.643 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000194705259 375955153 /nfs/dbraw/zinc/95/51/53/375955153.db2.gz UYCXSAUKDZQKKP-LBPRGKRZSA-N 0 3 293.323 1.184 10 5 CDBEHN COc1cc(CN(C[C@@H](C)O)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000443325632 250021753 /nfs/dbraw/zinc/02/17/53/250021753.db2.gz HHHKLACDSOUIGG-GHMZBOCLSA-N 0 3 298.339 1.167 10 5 CDBEHN O=[N+]([O-])c1ccc(NC[C@H]2CCCN2CCCO)cn1 ZINC000450587843 251353133 /nfs/dbraw/zinc/35/31/33/251353133.db2.gz ADIMKHFYASZSCX-GFCCVEGCSA-N 0 3 280.328 1.249 10 5 CDBEHN COC(=O)c1cc(C)nc(NC[C@@H](C)N(C)C)c1[N+](=O)[O-] ZINC000285965602 390188453 /nfs/dbraw/zinc/18/84/53/390188453.db2.gz AVIQTNXLGSDXMY-SECBINFHSA-N 0 3 296.327 1.447 10 5 CDBEHN Nc1ccc([N+](=O)[O-])c(N2CCN3CCC[C@H]3C2)c1 ZINC000249212074 391945014 /nfs/dbraw/zinc/94/50/14/391945014.db2.gz CZLSPXBHNPYHCH-NSHDSACASA-N 0 3 262.313 1.461 10 5 CDBEHN CC1=C[C@@H](C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000430276034 393096531 /nfs/dbraw/zinc/09/65/31/393096531.db2.gz CCSAUNXMMURDCV-ZWNOBZJWSA-N 0 3 280.328 1.050 10 5 CDBEHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000358788411 158027065 /nfs/dbraw/zinc/02/70/65/158027065.db2.gz GCDINIMAJACIFW-MXWKQRLJSA-N 0 3 295.339 1.528 10 5 CDBEHN CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000040632927 174359729 /nfs/dbraw/zinc/35/97/29/174359729.db2.gz RMKWZLNIMNUOSJ-WCBMZHEXSA-N 0 3 283.259 1.049 10 5 CDBEHN CCc1ccc(NC(=O)[C@H]2C[C@H](OC)CN2)cc1[N+](=O)[O-] ZINC000040633663 174360080 /nfs/dbraw/zinc/36/00/80/174360080.db2.gz NHHKYHUCBFMZQM-NWDGAFQWSA-N 0 3 293.323 1.473 10 5 CDBEHN CN[C@@H]1CCN(c2ccc(F)c([N+](=O)[O-])c2)C1=O ZINC000071039929 176027384 /nfs/dbraw/zinc/02/73/84/176027384.db2.gz RAZGDLQTPFQHAZ-SECBINFHSA-N 0 3 253.233 1.059 10 5 CDBEHN CC[C@@H](CO)NCc1ccc(NC)c([N+](=O)[O-])c1 ZINC000071792485 176263465 /nfs/dbraw/zinc/26/34/65/176263465.db2.gz QJIIAXLAETVQIV-JTQLQIEISA-N 0 3 253.302 1.497 10 5 CDBEHN CNC(=O)NC(=O)CCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000298938619 277003741 /nfs/dbraw/zinc/00/37/41/277003741.db2.gz ODLIZTNXPPPTCM-SECBINFHSA-N 0 3 294.311 1.091 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](N(C)C)C2)n1 ZINC000178210369 281012749 /nfs/dbraw/zinc/01/27/49/281012749.db2.gz SEURPSSCJISHBE-SNVBAGLBSA-N 0 3 250.302 1.439 10 5 CDBEHN CC(C)CN1CCN(Cc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000055081515 519727034 /nfs/dbraw/zinc/72/70/34/519727034.db2.gz GROXJIMNKGWLIE-UHFFFAOYSA-N 0 3 292.383 1.951 10 5 CDBEHN CN(C)C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000061644512 521835259 /nfs/dbraw/zinc/83/52/59/521835259.db2.gz KCLKTSYEQNDOEA-NSHDSACASA-N 0 3 295.314 1.900 10 5 CDBEHN COCC[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000052792398 521946428 /nfs/dbraw/zinc/94/64/28/521946428.db2.gz AMKQBEJWHMNAQU-JTQLQIEISA-N 0 3 267.285 1.206 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(O[C@H]2CCC[C@H]2O)c1 ZINC000050516742 522127854 /nfs/dbraw/zinc/12/78/54/522127854.db2.gz VLIFHLFPECQICO-NEPJUHHUSA-N 0 3 266.297 1.606 10 5 CDBEHN CCn1cc([N+](=O)[O-])cc1C(=O)N1[C@H](C)CNC[C@@H]1C ZINC000069133108 523485792 /nfs/dbraw/zinc/48/57/92/523485792.db2.gz OUPQFKOJAQJDTJ-AOOOYVTPSA-N 0 3 280.328 1.239 10 5 CDBEHN COCCN(C)CCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000061374802 523610999 /nfs/dbraw/zinc/61/09/99/523610999.db2.gz GRTHOCZHZCWROD-LBPRGKRZSA-N 0 3 281.356 1.824 10 5 CDBEHN CN(c1ncc([N+](=O)[O-])cn1)[C@H]1CCN(C2CC2)C1 ZINC000354572194 523666104 /nfs/dbraw/zinc/66/61/04/523666104.db2.gz FKEVSOCZFFCOAV-JTQLQIEISA-N 0 3 263.301 1.058 10 5 CDBEHN C[C@@H](OC(=O)C1CCN(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000774016567 575848439 /nfs/dbraw/zinc/84/84/39/575848439.db2.gz SWRDVCPXQBXAPD-SKDRFNHKSA-N 0 3 292.291 1.677 10 5 CDBEHN COc1cc(F)c([N+](=O)[O-])c(NC[C@@]2(O)CCN(C)C2)c1 ZINC000762816712 576676275 /nfs/dbraw/zinc/67/62/75/576676275.db2.gz UEFSZUBNPPQXJA-ZDUSSCGKSA-N 0 3 299.302 1.221 10 5 CDBEHN CCc1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813101866 617342203 /nfs/dbraw/zinc/34/22/03/617342203.db2.gz KIACTWXTFPFHTI-LURJTMIESA-N 0 3 258.299 1.836 10 5 CDBEHN Cc1cccc(O[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813108757 617345512 /nfs/dbraw/zinc/34/55/12/617345512.db2.gz AILKNTTXMLFMNT-MNOVXSKESA-N 0 3 267.281 1.971 10 5 CDBEHN CC(COC(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C)[N+](=O)[O-] ZINC000813110854 617345821 /nfs/dbraw/zinc/34/58/21/617345821.db2.gz KSRWDSGDINEEBV-OPRDCNLKSA-N 0 3 271.313 1.836 10 5 CDBEHN CC(COC(=O)C[C@H](C)NC(=O)C1CCCC1)[N+](=O)[O-] ZINC000813113023 617347183 /nfs/dbraw/zinc/34/71/83/617347183.db2.gz WLHWTAZYAFRNCW-VHSXEESVSA-N 0 3 286.328 1.280 10 5 CDBEHN NC(=O)[C@H]1CCCC[C@H]1NCc1cccnc1[N+](=O)[O-] ZINC001645210830 1167375719 /nfs/dbraw/zinc/37/57/19/1167375719.db2.gz YRGQIHOEPHOMTA-WDEREUQCSA-N 0 3 278.312 1.124 10 5 CDBEHN CC(C)(C)O[C@H]1C[C@@H](NCC[N+](=O)[O-])C12CCC2 ZINC000931022242 743328740 /nfs/dbraw/zinc/32/87/40/743328740.db2.gz NPJVVLCFENRDNK-MNOVXSKESA-N 0 3 256.346 1.979 10 5 CDBEHN C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000928458908 744954438 /nfs/dbraw/zinc/95/44/38/744954438.db2.gz ZEWRPRUTMWMJJO-SKDRFNHKSA-N 0 3 263.297 1.417 10 5 CDBEHN C[C@@H](NCCN(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872071398 745610225 /nfs/dbraw/zinc/61/02/25/745610225.db2.gz OMNGVZZFJCHRSZ-SECBINFHSA-N 0 3 255.293 1.946 10 5 CDBEHN CC(COC(=O)CN1CCc2ccccc21)[N+](=O)[O-] ZINC000813113823 746027536 /nfs/dbraw/zinc/02/75/36/746027536.db2.gz JRFSMSQOXFASFN-JTQLQIEISA-N 0 3 264.281 1.258 10 5 CDBEHN O=[N+]([O-])c1cnn(CCNCc2ccnn2C2CCC2)c1 ZINC000921861484 746210841 /nfs/dbraw/zinc/21/08/41/746210841.db2.gz JDNPOTPRFGJVOL-UHFFFAOYSA-N 0 3 290.327 1.503 10 5 CDBEHN CC[C@H](NC[C@H](O)[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000717369676 746826642 /nfs/dbraw/zinc/82/66/42/746826642.db2.gz VREBUDIAHRZTPY-ICCXJUOJSA-N 0 3 268.313 1.377 10 5 CDBEHN CCc1nc(CC(=O)OCC(C)[N+](=O)[O-])cs1 ZINC000813111371 747095291 /nfs/dbraw/zinc/09/52/91/747095291.db2.gz SATVWPFVJKYEDL-ZETCQYMHSA-N 0 3 258.299 1.456 10 5 CDBEHN CC(COC(=O)CCc1nc(-c2ccco2)no1)[N+](=O)[O-] ZINC000813102931 747319749 /nfs/dbraw/zinc/31/97/49/747319749.db2.gz LXUUXDLVODLQIH-MRVPVSSYSA-N 0 3 295.251 1.471 10 5 CDBEHN CC(COC(=O)[C@H]1Cc2ccccc2S1)[N+](=O)[O-] ZINC000813110544 747743639 /nfs/dbraw/zinc/74/36/39/747743639.db2.gz DBMLEXDWJWFLRU-GZMMTYOYSA-N 0 3 267.306 1.912 10 5 CDBEHN C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000815165802 748298374 /nfs/dbraw/zinc/29/83/74/748298374.db2.gz WKQGTICASYBDQG-GIPNMCIBSA-N 0 3 250.298 1.968 10 5 CDBEHN CC(COC(=O)c1ccnc(C(F)(F)F)c1)[N+](=O)[O-] ZINC000813100962 748309214 /nfs/dbraw/zinc/30/92/14/748309214.db2.gz ZEVXDDPWYMDZRS-LURJTMIESA-N 0 3 278.186 1.922 10 5 CDBEHN COC(=O)[C@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776279779 748549253 /nfs/dbraw/zinc/54/92/53/748549253.db2.gz YVFVPGMRVGEEMQ-WCQYABFASA-N 0 3 294.307 1.123 10 5 CDBEHN Cc1c(CN2CC[C@H](O)[C@@H]2C)cccc1[N+](=O)[O-] ZINC001194384351 924198973 /nfs/dbraw/zinc/19/89/73/924198973.db2.gz LGAPFHBWZXYWPU-GWCFXTLKSA-N 0 3 250.298 1.858 10 5 CDBEHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NOCCN(C)C ZINC001328701546 955423327 /nfs/dbraw/zinc/42/33/27/955423327.db2.gz DFJJRQGUDHANSX-KHPPLWFESA-N 0 3 293.323 1.608 10 5 CDBEHN CC(=O)N(C)CCOCCNCc1ccc([N+](=O)[O-])cc1 ZINC001571670206 1170515988 /nfs/dbraw/zinc/51/59/88/1170515988.db2.gz DAKGROKFADJKKU-UHFFFAOYSA-N 0 3 295.339 1.179 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CCC(=O)N(C)C1 ZINC000600178221 341983317 /nfs/dbraw/zinc/98/33/17/341983317.db2.gz HXYNBUQPVMAQOT-AWEZNQCLSA-N 0 3 291.351 1.956 10 5 CDBEHN COC(=O)C[C@]1(N)CCc2ccc([N+](=O)[O-])cc21 ZINC000214820167 342033272 /nfs/dbraw/zinc/03/32/72/342033272.db2.gz KEXFYLCQLKBIGG-GFCCVEGCSA-N 0 3 250.254 1.258 10 5 CDBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594025610 342867429 /nfs/dbraw/zinc/86/74/29/342867429.db2.gz PDIMPRYZAVJSSR-TUKIKUTGSA-N 0 3 291.351 1.407 10 5 CDBEHN NC(=O)[C@H]1C[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594507420 342914676 /nfs/dbraw/zinc/91/46/76/342914676.db2.gz MPASQFXBOZMEAC-SBMIAAHKSA-N 0 3 275.308 1.436 10 5 CDBEHN O=[N+]([O-])c1ccc(CN2CCNC[C@H]2C(F)F)cc1 ZINC000565657543 365691481 /nfs/dbraw/zinc/69/14/81/365691481.db2.gz CAASNTCMHWVTRG-NSHDSACASA-N 0 3 271.267 1.634 10 5 CDBEHN CO[C@@H](CNCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000594953871 342982503 /nfs/dbraw/zinc/98/25/03/342982503.db2.gz JZEJILPNFZGCFJ-OCCSQVGLSA-N 0 3 280.324 1.736 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@H]2C[C@H](O)C23CCC3)cc1 ZINC000594988666 342993923 /nfs/dbraw/zinc/99/39/23/342993923.db2.gz RKORMWILKZSZBE-STQMWFEESA-N 0 3 262.309 1.988 10 5 CDBEHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000594920845 342987331 /nfs/dbraw/zinc/98/73/31/342987331.db2.gz AZDIDRMTJHHECF-OASPWFOLSA-N 0 3 278.308 1.882 10 5 CDBEHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCNC1=O ZINC000595054260 343000066 /nfs/dbraw/zinc/00/00/66/343000066.db2.gz OPLHCYAUNWDGHZ-JQWIXIFHSA-N 0 3 277.324 1.394 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CCC(=O)N1 ZINC000595089267 343003613 /nfs/dbraw/zinc/00/36/13/343003613.db2.gz GOEFVQZOKBMVGI-QWRGUYRKSA-N 0 3 277.324 1.832 10 5 CDBEHN O=[N+]([O-])c1cc(Cl)ccc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405252072 349782065 /nfs/dbraw/zinc/78/20/65/349782065.db2.gz DIPZSOUTZPQGOP-WDEREUQCSA-N 0 3 297.742 1.503 10 5 CDBEHN C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)C1O ZINC000595752282 343152740 /nfs/dbraw/zinc/15/27/40/343152740.db2.gz WFRNJZLMJVIWGJ-RYUDHWBXSA-N 0 3 294.351 1.922 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNCCN1CC[C@@H](O)C1 ZINC000599008818 343938970 /nfs/dbraw/zinc/93/89/70/343938970.db2.gz IJRFBLRDZJYVKC-CQSZACIVSA-N 0 3 279.340 1.059 10 5 CDBEHN C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000599101671 343954709 /nfs/dbraw/zinc/95/47/09/343954709.db2.gz AFXCTMDZWBNTCM-NXEZZACHSA-N 0 3 299.352 1.014 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000603843245 344837956 /nfs/dbraw/zinc/83/79/56/344837956.db2.gz HTRLFUOABCTCTL-MFKMUULPSA-N 0 3 290.323 1.763 10 5 CDBEHN COCCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000068910780 349083960 /nfs/dbraw/zinc/08/39/60/349083960.db2.gz SMVNJOSWBITRNT-LLVKDONJSA-N 0 3 280.328 1.513 10 5 CDBEHN CN(C)C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000105924687 186091229 /nfs/dbraw/zinc/09/12/29/186091229.db2.gz VKCBKBRWHFVDTN-AWEZNQCLSA-N 0 3 279.340 1.357 10 5 CDBEHN O=[N+]([O-])c1cc(CN[C@@H](CO)C2CCOCC2)cs1 ZINC000359871282 356429144 /nfs/dbraw/zinc/42/91/44/356429144.db2.gz HIKUAQSMXJOALL-NSHDSACASA-N 0 3 286.353 1.533 10 5 CDBEHN CCN1CC[C@H](Nc2nc(C)ccc2[N+](=O)[O-])C1 ZINC000389120801 359373368 /nfs/dbraw/zinc/37/33/68/359373368.db2.gz CELZAJLEGVXTGO-JTQLQIEISA-N 0 3 250.302 1.804 10 5 CDBEHN COC[C@H](CN[C@H](C)c1ccccc1[N+](=O)[O-])OC ZINC000227691082 360531949 /nfs/dbraw/zinc/53/19/49/360531949.db2.gz YZRCOBWAVIAJCE-MNOVXSKESA-N 0 3 268.313 1.907 10 5 CDBEHN CN(C)C[C@H]1CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000268072859 364201592 /nfs/dbraw/zinc/20/15/92/364201592.db2.gz AXBLAKQZDBONPX-CQSZACIVSA-N 0 3 291.351 1.690 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000170863822 369979231 /nfs/dbraw/zinc/97/92/31/369979231.db2.gz OSEUBLNRKLKRQU-LBPRGKRZSA-N 0 3 277.324 1.679 10 5 CDBEHN Cc1cc(N2C[C@H](C)N(CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000419002018 374272129 /nfs/dbraw/zinc/27/21/29/374272129.db2.gz LXHMMFOKXOZXGK-QWHCGFSZSA-N 0 3 293.367 1.795 10 5 CDBEHN O=[N+]([O-])c1cc(CNC[C@@H]2CCCCN2CCO)cs1 ZINC000449392844 374805513 /nfs/dbraw/zinc/80/55/13/374805513.db2.gz LFPNOQVJRBEVGY-LBPRGKRZSA-N 0 3 299.396 1.593 10 5 CDBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H]1CCCNC1=O ZINC000449436756 374811325 /nfs/dbraw/zinc/81/13/25/374811325.db2.gz JNSAWYNXSOBPGL-MSKHEQNASA-N 0 3 289.335 1.866 10 5 CDBEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000282361523 375082005 /nfs/dbraw/zinc/08/20/05/375082005.db2.gz NJCXVRTUAQGZLM-CABZTGNLSA-N 0 3 263.297 1.352 10 5 CDBEHN O=C(c1ccc([N+](=O)[O-])o1)N1CCN2CCC[C@H]2C1 ZINC000171584396 376834683 /nfs/dbraw/zinc/83/46/83/376834683.db2.gz YBXLQCXOYVCFPG-VIFPVBQESA-N 0 3 265.269 1.108 10 5 CDBEHN CC1(C)CN(c2ncc([N+](=O)[O-])cc2Cl)CCN1 ZINC000232841714 378632915 /nfs/dbraw/zinc/63/29/15/378632915.db2.gz VSPWQJAERXVWJW-UHFFFAOYSA-N 0 3 270.720 1.831 10 5 CDBEHN Cc1cnc(N2CCN3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000266177675 391477372 /nfs/dbraw/zinc/47/73/72/391477372.db2.gz BBGSCVGGVSJJQE-NSHDSACASA-N 0 3 262.313 1.583 10 5 CDBEHN Cc1cc(C)c([N+](=O)[O-])c(N2CCNC(C)(C)C2)n1 ZINC000420284300 392918210 /nfs/dbraw/zinc/91/82/10/392918210.db2.gz ULLGNRYQOXQIPP-UHFFFAOYSA-N 0 3 264.329 1.795 10 5 CDBEHN COCCOc1cc([N+](=O)[O-])c(CN)cc1OC ZINC000037226356 173046689 /nfs/dbraw/zinc/04/66/89/173046689.db2.gz YVSZXTDKPDBQHL-UHFFFAOYSA-N 0 3 256.258 1.087 10 5 CDBEHN CCN1CCC[C@@H]1CNC(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000037250695 173063193 /nfs/dbraw/zinc/06/31/93/173063193.db2.gz ZDMUKEMSPNDWKC-LLVKDONJSA-N 0 3 295.314 1.948 10 5 CDBEHN CCN1CCC[C@@H]1CNc1cc([N+](=O)[O-])ccn1 ZINC000043567684 175067368 /nfs/dbraw/zinc/06/73/68/175067368.db2.gz FSVBHWBQEWSYKU-LLVKDONJSA-N 0 3 250.302 1.886 10 5 CDBEHN CCCNCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000044288028 175159676 /nfs/dbraw/zinc/15/96/76/175159676.db2.gz IJDYFRGWIYHTCL-UHFFFAOYSA-N 0 3 267.285 1.542 10 5 CDBEHN CCN[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1=O ZINC000071036993 176026076 /nfs/dbraw/zinc/02/60/76/176026076.db2.gz ORPCOURYDNGIPW-SNVBAGLBSA-N 0 3 267.260 1.449 10 5 CDBEHN O=C1[C@@H](NC2CC2)CCN1c1cc([N+](=O)[O-])ccc1F ZINC000071040001 176027451 /nfs/dbraw/zinc/02/74/51/176027451.db2.gz OGRPAJNPIHEEJB-NSHDSACASA-N 0 3 279.271 1.591 10 5 CDBEHN C[C@H](Cn1cncn1)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579004125 324080776 /nfs/dbraw/zinc/08/07/76/324080776.db2.gz FENUAMQYDDPEBQ-ZWNOBZJWSA-N 0 3 287.323 1.852 10 5 CDBEHN CCCN(CCN(C)C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050816471 521658011 /nfs/dbraw/zinc/65/80/11/521658011.db2.gz ZARSZVVDMCHFLB-UHFFFAOYSA-N 0 3 280.372 1.951 10 5 CDBEHN CCNC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000061288469 519906966 /nfs/dbraw/zinc/90/69/66/519906966.db2.gz ZHCDLPRKXAHRPO-UHFFFAOYSA-N 0 3 281.312 1.930 10 5 CDBEHN CCOc1ccc(NC(=O)[C@@H](N)CCOC)c([N+](=O)[O-])c1 ZINC000052792568 521102853 /nfs/dbraw/zinc/10/28/53/521102853.db2.gz NGHHTJARMPJKPG-JTQLQIEISA-N 0 3 297.311 1.296 10 5 CDBEHN CCNC(=O)[C@@H](C)NCCc1ccccc1[N+](=O)[O-] ZINC000062726422 521743645 /nfs/dbraw/zinc/74/36/45/521743645.db2.gz UKFRBAAYELAZQA-SNVBAGLBSA-N 0 3 265.313 1.252 10 5 CDBEHN CC[C@H](C)[C@@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943217 521835601 /nfs/dbraw/zinc/83/56/01/521835601.db2.gz XDWDZMXEDMLRMF-JOYOIKCWSA-N 0 3 265.313 1.584 10 5 CDBEHN CN(C)C[C@H]1CCCN1C(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000061656025 521864076 /nfs/dbraw/zinc/86/40/76/521864076.db2.gz VRQYXCIRINRDMP-LLVKDONJSA-N 0 3 292.339 1.343 10 5 CDBEHN COC[C@@H](C)N(C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050815182 522219679 /nfs/dbraw/zinc/21/96/79/522219679.db2.gz PISYSPJQSHSLSS-SECBINFHSA-N 0 3 253.302 1.644 10 5 CDBEHN CNc1ccc(CN(C)C[C@@H](O)COC)cc1[N+](=O)[O-] ZINC000050817901 522606519 /nfs/dbraw/zinc/60/65/19/522606519.db2.gz FFSUQCJYEBXSHL-LLVKDONJSA-N 0 3 283.328 1.076 10 5 CDBEHN O=[N+]([O-])c1cc(Br)cnc1OC1CNC1 ZINC000062810088 527327401 /nfs/dbraw/zinc/32/74/01/527327401.db2.gz UFJPJTVBDUTSCP-UHFFFAOYSA-N 0 3 274.074 1.103 10 5 CDBEHN O=[N+]([O-])c1cccc(CNC2CCS(=O)CC2)c1 ZINC000052926248 527386688 /nfs/dbraw/zinc/38/66/88/527386688.db2.gz KJTAEDDAHXKTRP-UHFFFAOYSA-N 0 3 268.338 1.596 10 5 CDBEHN Nc1ccc(CN2CCC[C@@H]2CCCO)cc1[N+](=O)[O-] ZINC000052763193 527482942 /nfs/dbraw/zinc/48/29/42/527482942.db2.gz OCRFGZBGRUKTIX-GFCCVEGCSA-N 0 3 279.340 1.914 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@H]1C ZINC000744347768 576676555 /nfs/dbraw/zinc/67/65/55/576676555.db2.gz CNTKXWMEFYLGQP-SNVBAGLBSA-N 0 3 292.339 1.512 10 5 CDBEHN CC(COC(=O)CNC(=O)CCC1CCCC1)[N+](=O)[O-] ZINC000813112595 617347097 /nfs/dbraw/zinc/34/70/97/617347097.db2.gz IYFFBSIDKDDUQC-JTQLQIEISA-N 0 3 286.328 1.281 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928437733 619079805 /nfs/dbraw/zinc/07/98/05/619079805.db2.gz DASVEOGECOHQRV-ZWNOBZJWSA-N 0 3 277.324 1.726 10 5 CDBEHN C[C@H]1[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CCN1C ZINC000928442773 619087923 /nfs/dbraw/zinc/08/79/23/619087923.db2.gz BYIMTICVFROBNK-WDEREUQCSA-N 0 3 292.339 1.216 10 5 CDBEHN Cc1cc([N+](=O)[O-])cn(C[C@H]2CCCN2C)c1=O ZINC000917319697 632197242 /nfs/dbraw/zinc/19/72/42/632197242.db2.gz CZAJROQFLZTERA-SNVBAGLBSA-N 0 3 251.286 1.159 10 5 CDBEHN NC(=O)c1cc(N[C@@H]2CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC001613060242 1165529065 /nfs/dbraw/zinc/52/90/65/1165529065.db2.gz LIHIDFNDQMDLKZ-GFCCVEGCSA-N 0 3 290.323 1.200 10 5 CDBEHN CC(C)CCCN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001699712873 1176581035 /nfs/dbraw/zinc/58/10/35/1176581035.db2.gz VSQXEEGYWDCIGP-CHWSQXEVSA-N 0 3 283.372 1.230 10 5 CDBEHN CC(C)C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001714685949 1179326694 /nfs/dbraw/zinc/32/66/94/1179326694.db2.gz OLQLMSYFAVRGAU-UHFFFAOYSA-N 0 3 279.340 1.799 10 5 CDBEHN CC(COC(=O)CSc1ccncc1)[N+](=O)[O-] ZINC000813106998 1163814167 /nfs/dbraw/zinc/81/41/67/1163814167.db2.gz JWQGTGBBZHOZEK-MRVPVSSYSA-N 0 3 256.283 1.382 10 5 CDBEHN C[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000778140763 751348086 /nfs/dbraw/zinc/34/80/86/751348086.db2.gz FASKWSUVVVJKGE-NOZJJQNGSA-N 0 3 276.296 1.702 10 5 CDBEHN CC[C@H](OC1CCCC1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813108753 751675963 /nfs/dbraw/zinc/67/59/63/751675963.db2.gz LKBHGZJWSFIDBY-KOLCDFICSA-N 0 3 259.302 1.933 10 5 CDBEHN CC(COC(=O)[C@@H](C)Oc1ccccc1)[N+](=O)[O-] ZINC000139755237 751890448 /nfs/dbraw/zinc/89/04/48/751890448.db2.gz HFQGKEJNMRRORU-NXEZZACHSA-N 0 3 253.254 1.662 10 5 CDBEHN COc1ccc(CCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813112508 752025793 /nfs/dbraw/zinc/02/57/93/752025793.db2.gz RAZGBOVMHUPJAP-SNVBAGLBSA-N 0 3 267.281 1.836 10 5 CDBEHN CC(COC(=O)C[C@H]1CSCCS1)[N+](=O)[O-] ZINC000813112626 749911902 /nfs/dbraw/zinc/91/19/02/749911902.db2.gz RUKMDMWIIFUUIH-SFYZADRCSA-N 0 3 265.356 1.434 10 5 CDBEHN Cc1cc(C(F)(F)F)nn1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813106393 750813667 /nfs/dbraw/zinc/81/36/67/750813667.db2.gz CIEXQLYGICCPRQ-SSDOTTSWSA-N 0 3 295.217 1.419 10 5 CDBEHN CC(COC(=O)c1cccc(C[S@@](C)=O)c1)[N+](=O)[O-] ZINC000813107026 752860071 /nfs/dbraw/zinc/86/00/71/752860071.db2.gz KMSMIFQHFKGELK-AYLIAGHASA-N 0 3 285.321 1.387 10 5 CDBEHN O=[N+]([O-])c1cccc2ncnc(N3CC(N4CCCC4)C3)c21 ZINC000601193955 342488668 /nfs/dbraw/zinc/48/86/68/342488668.db2.gz STJGDWDBZICDHS-UHFFFAOYSA-N 0 3 299.334 1.822 10 5 CDBEHN C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)[C@@H](C)CN1C ZINC000588010631 342490438 /nfs/dbraw/zinc/49/04/38/342490438.db2.gz XPODZCRBUCQZNW-UWVGGRQHSA-N 0 3 294.355 1.198 10 5 CDBEHN Cc1cc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc([N+](=O)[O-])c1 ZINC000590044721 342520717 /nfs/dbraw/zinc/52/07/17/342520717.db2.gz MGZNSCMUHYWWCN-SMDDNHRTSA-N 0 3 289.335 1.679 10 5 CDBEHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000590345130 342537338 /nfs/dbraw/zinc/53/73/38/342537338.db2.gz SDRFGRHJGBCYBP-NSHDSACASA-N 0 3 292.339 1.546 10 5 CDBEHN CC1(C)CCCN[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000232818166 342033631 /nfs/dbraw/zinc/03/36/31/342033631.db2.gz QDVFMIWSACVQPG-CYBMUJFWSA-N 0 3 291.351 1.989 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC1(C)CNC1 ZINC000098060230 342226914 /nfs/dbraw/zinc/22/69/14/342226914.db2.gz JWVVPLBELJSIRM-UHFFFAOYSA-N 0 3 279.296 1.220 10 5 CDBEHN CCN1CCN([C@@H](C)CNc2ccncc2[N+](=O)[O-])CC1 ZINC000060375310 349800555 /nfs/dbraw/zinc/80/05/55/349800555.db2.gz VBHLIWSONUTZPG-LBPRGKRZSA-N 0 3 293.371 1.428 10 5 CDBEHN CCc1n[nH]c(C(=O)N(CC)[C@@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000597945581 343675724 /nfs/dbraw/zinc/67/57/24/343675724.db2.gz ITHNHLSFTQPHMU-SECBINFHSA-N 0 3 295.343 1.047 10 5 CDBEHN CCc1[nH]nc(C(=O)N(CC)[C@@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000597945581 343675725 /nfs/dbraw/zinc/67/57/25/343675725.db2.gz ITHNHLSFTQPHMU-SECBINFHSA-N 0 3 295.343 1.047 10 5 CDBEHN C[C@@H](NC[C@H]1COCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000599075879 343949465 /nfs/dbraw/zinc/94/94/65/343949465.db2.gz AWFWEHLKVXIGSJ-RISCZKNCSA-N 0 3 279.340 1.576 10 5 CDBEHN C[C@@]1(C(=O)NCc2cccc([N+](=O)[O-])c2)CCCCN1 ZINC000136157955 362307301 /nfs/dbraw/zinc/30/73/01/362307301.db2.gz CZAGPGXQEYYJTN-AWEZNQCLSA-N 0 3 277.324 1.743 10 5 CDBEHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599682285 344118427 /nfs/dbraw/zinc/11/84/27/344118427.db2.gz ZNEKVLLOMTTWMT-NJZAAPMLSA-N 0 3 292.335 1.819 10 5 CDBEHN CC(C)(C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCNCC1 ZINC000129596037 345645361 /nfs/dbraw/zinc/64/53/61/345645361.db2.gz JDDVUJNLLOAWBQ-UHFFFAOYSA-N 0 3 292.339 1.217 10 5 CDBEHN CN1CCC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000610667810 346338007 /nfs/dbraw/zinc/33/80/07/346338007.db2.gz LRCRCVNFUVLBSD-ZDUSSCGKSA-N 0 3 291.351 1.738 10 5 CDBEHN COC[C@](C)(CCO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000175853354 357416788 /nfs/dbraw/zinc/41/67/88/357416788.db2.gz CFMNYZUSXXLLGD-AWEZNQCLSA-N 0 3 298.339 1.481 10 5 CDBEHN Cc1noc(CCN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000294794284 199186112 /nfs/dbraw/zinc/18/61/12/199186112.db2.gz OPQNSFNFXUGTPV-QMMMGPOBSA-N 0 3 291.311 1.762 10 5 CDBEHN CCNC(=O)CCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000135742543 359987485 /nfs/dbraw/zinc/98/74/85/359987485.db2.gz QMMQYOBTHRBNLA-SNVBAGLBSA-N 0 3 265.313 1.772 10 5 CDBEHN COC[C@@]1(CO)CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000451922174 360414135 /nfs/dbraw/zinc/41/41/35/360414135.db2.gz DYWNSQZOGZLGHG-DOMZBBRYSA-N 0 3 294.351 1.987 10 5 CDBEHN Cc1ccc(CN2C[C@H](C(N)=O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000245549919 360706356 /nfs/dbraw/zinc/70/63/56/360706356.db2.gz ZRBOZOZPGMOQOP-DGCLKSJQSA-N 0 3 291.351 1.989 10 5 CDBEHN Cc1c([C@@H](C)NC[C@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC000180488301 189258349 /nfs/dbraw/zinc/25/83/49/189258349.db2.gz MBZBJQTZPILAKA-OLZOCXBDSA-N 0 3 293.367 1.884 10 5 CDBEHN O=[N+]([O-])c1ccc2nc(OC[C@H]3CC[NH2+]C3)[n-]c2c1 ZINC000094772363 366989823 /nfs/dbraw/zinc/98/98/23/366989823.db2.gz WFEXAXCDLUYMAC-QMMMGPOBSA-N 0 3 262.269 1.459 10 5 CDBEHN O=[N+]([O-])c1ccc2[n-]c(OC[C@H]3CC[NH2+]C3)nc2c1 ZINC000094772363 366989828 /nfs/dbraw/zinc/98/98/28/366989828.db2.gz WFEXAXCDLUYMAC-QMMMGPOBSA-N 0 3 262.269 1.459 10 5 CDBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@](C)(O)CO ZINC000619464237 374043991 /nfs/dbraw/zinc/04/39/91/374043991.db2.gz CTQPUPSDYKJSNT-KGBIHWOQSA-N 0 3 280.324 1.331 10 5 CDBEHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CCN1C ZINC000531634253 374504051 /nfs/dbraw/zinc/50/40/51/374504051.db2.gz PDCHXMCCFCFTIA-VHSXEESVSA-N 0 3 278.312 1.202 10 5 CDBEHN CN(CCN1CCCC1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531882921 374514334 /nfs/dbraw/zinc/51/43/34/374514334.db2.gz YHBMYDSLZFRUNL-UHFFFAOYSA-N 0 3 278.312 1.158 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(N2CCO[C@@H](CN(C)C)C2)n1 ZINC000124920062 374871277 /nfs/dbraw/zinc/87/12/77/374871277.db2.gz ZXZQCKMDXULHOZ-NSHDSACASA-N 0 3 280.328 1.065 10 5 CDBEHN CN[C@H](C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000054074574 376575830 /nfs/dbraw/zinc/57/58/30/376575830.db2.gz HBJGKOADKGHKQV-RKDXNWHRSA-N 0 3 251.286 1.380 10 5 CDBEHN CC1CCN(C[C@@H](O)CNc2ccncc2[N+](=O)[O-])CC1 ZINC000067373340 377037818 /nfs/dbraw/zinc/03/78/18/377037818.db2.gz DJBQOJFAWXDNAF-LBPRGKRZSA-N 0 3 294.355 1.495 10 5 CDBEHN N[C@H]1CCCn2c(=O)c3ccc([N+](=O)[O-])cc3nc21 ZINC000072266464 390634018 /nfs/dbraw/zinc/63/40/18/390634018.db2.gz DKOGAINWUCPMSU-VIFPVBQESA-N 0 3 260.253 1.098 10 5 CDBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000113233570 392868852 /nfs/dbraw/zinc/86/88/52/392868852.db2.gz OCBFAPQUMIKMEC-VXGBXAGGSA-N 0 3 289.335 1.904 10 5 CDBEHN CNC(=O)[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000420971893 392922619 /nfs/dbraw/zinc/92/26/19/392922619.db2.gz ITNLRZWFCKNYKE-LBPRGKRZSA-N 0 3 277.324 1.471 10 5 CDBEHN CNC(=O)[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000420973591 392924614 /nfs/dbraw/zinc/92/46/14/392924614.db2.gz LKAWIQXSDUXZAA-NSHDSACASA-N 0 3 293.323 1.042 10 5 CDBEHN CNC(=O)[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000421387671 392933750 /nfs/dbraw/zinc/93/37/50/392933750.db2.gz PDQPZCWPORDRPD-RYWCDNDXSA-N 0 3 289.335 1.676 10 5 CDBEHN O=[N+]([O-])c1cccc(CN2CC[C@@H](CCO)C2)c1 ZINC000227567179 140186302 /nfs/dbraw/zinc/18/63/02/140186302.db2.gz UUIUQMFEEVSROO-NSHDSACASA-N 0 3 250.298 1.799 10 5 CDBEHN COCC[C@@H](COC)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000314041734 149250775 /nfs/dbraw/zinc/25/07/75/149250775.db2.gz SAXVJCHIJNZHFE-LBPRGKRZSA-N 0 3 298.339 1.745 10 5 CDBEHN O=C(CCNCc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000020127373 171012613 /nfs/dbraw/zinc/01/26/13/171012613.db2.gz QPCCRBNYMNLNML-UHFFFAOYSA-N 0 3 277.324 1.697 10 5 CDBEHN CC[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000037386465 173170263 /nfs/dbraw/zinc/17/02/63/173170263.db2.gz OIWSDBTVKDKZNO-SECBINFHSA-N 0 3 281.312 1.930 10 5 CDBEHN Cc1ccc([C@@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000038097553 174112807 /nfs/dbraw/zinc/11/28/07/174112807.db2.gz AAPKGXUFFMQJIC-PWSUYJOCSA-N 0 3 294.311 1.404 10 5 CDBEHN CO[C@H]1CN[C@@H](C(=O)Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000040632926 174359303 /nfs/dbraw/zinc/35/93/03/174359303.db2.gz RMKWZLNIMNUOSJ-PSASIEDQSA-N 0 3 283.259 1.049 10 5 CDBEHN N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043299770 175000242 /nfs/dbraw/zinc/00/02/42/175000242.db2.gz HWNUAVRVWIVCLQ-MWLCHTKSSA-N 0 3 270.310 1.029 10 5 CDBEHN CN(C[C@@H]1CCN(C)C1)c1ncnc(Cl)c1[N+](=O)[O-] ZINC000071192661 176074511 /nfs/dbraw/zinc/07/45/11/176074511.db2.gz MSKVOJWQOHYQBX-MRVPVSSYSA-N 0 3 285.735 1.426 10 5 CDBEHN CNC(=O)[C@H]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000420967773 277252828 /nfs/dbraw/zinc/25/28/28/277252828.db2.gz ALJKHRLVONOBAZ-MNOVXSKESA-N 0 3 277.324 1.724 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(OCCCO)c1 ZINC000050516905 520002298 /nfs/dbraw/zinc/00/22/98/520002298.db2.gz OHAFXHOFMSGHGZ-UHFFFAOYSA-N 0 3 254.286 1.466 10 5 CDBEHN CCN[C@@](C)(CCSc1ccccc1[N+](=O)[O-])C(N)=O ZINC000045549775 520134650 /nfs/dbraw/zinc/13/46/50/520134650.db2.gz CRBGONOHPWFNQC-ZDUSSCGKSA-N 0 3 297.380 1.931 10 5 CDBEHN CCNCc1cc([N+](=O)[O-])ccc1OCCCC(=O)NC ZINC000068816453 519992687 /nfs/dbraw/zinc/99/26/87/519992687.db2.gz AKZOVSMJGDFTPH-UHFFFAOYSA-N 0 3 295.339 1.609 10 5 CDBEHN CCNCc1cc([N+](=O)[O-])ccc1OCCC(=O)OC ZINC000069317187 519993621 /nfs/dbraw/zinc/99/36/21/519993621.db2.gz FMUMQTUDSHPKQN-UHFFFAOYSA-N 0 3 282.296 1.646 10 5 CDBEHN CCN(CC)C(=O)[C@H](C)Oc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516515 520533962 /nfs/dbraw/zinc/53/39/62/520533962.db2.gz TWKOGPWFFRIPIM-JTQLQIEISA-N 0 3 295.339 1.689 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(OC[C@H]2CCOC2)c1 ZINC000050516720 522124243 /nfs/dbraw/zinc/12/42/43/522124243.db2.gz HQFPBJUPPRPAHF-NSHDSACASA-N 0 3 266.297 1.730 10 5 CDBEHN Cc1cccc(C(=O)N2[C@@H](C)CNC[C@@H]2C)c1[N+](=O)[O-] ZINC000069133166 524188627 /nfs/dbraw/zinc/18/86/27/524188627.db2.gz VLQRGBRSBWJTHE-QWRGUYRKSA-N 0 3 277.324 1.726 10 5 CDBEHN Cc1cc(NC(=O)C(C)(C)N)c([N+](=O)[O-])cc1C ZINC000050439864 525115025 /nfs/dbraw/zinc/11/50/25/525115025.db2.gz FNBPSWSWDQWURI-UHFFFAOYSA-N 0 3 251.286 1.887 10 5 CDBEHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813103637 617342682 /nfs/dbraw/zinc/34/26/82/617342682.db2.gz DBAYTALZNMBVNU-QMMMGPOBSA-N 0 3 269.253 1.526 10 5 CDBEHN COc1ccc(OC)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813114174 617347798 /nfs/dbraw/zinc/34/77/98/617347798.db2.gz ZOOKGNZWNRBWDT-QMMMGPOBSA-N 0 3 269.253 1.526 10 5 CDBEHN CCc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928437855 619080281 /nfs/dbraw/zinc/08/02/81/619080281.db2.gz JCDJEDCRGMLLNM-GWCFXTLKSA-N 0 3 291.351 1.980 10 5 CDBEHN Cc1cccc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000928455682 619120096 /nfs/dbraw/zinc/12/00/96/619120096.db2.gz SWBHTUIJMSQHKS-ZYHUDNBSSA-N 0 3 277.324 1.726 10 5 CDBEHN Cc1cc([N+](=O)[O-])cc(C(=O)NCCN2CC[C@H](C)C2)n1 ZINC001566011125 1168214449 /nfs/dbraw/zinc/21/44/49/1168214449.db2.gz QCUDJWPQNXPXPE-JTQLQIEISA-N 0 3 292.339 1.370 10 5 CDBEHN CCOC(=O)C[C@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001648276915 1169111810 /nfs/dbraw/zinc/11/18/10/1169111810.db2.gz BVYDRGOSCMMABR-MFKMUULPSA-N 0 3 296.323 1.560 10 5 CDBEHN CC(COC(=O)[C@H](C)Oc1cccc(F)c1)[N+](=O)[O-] ZINC000813105584 754395179 /nfs/dbraw/zinc/39/51/79/754395179.db2.gz PRAKTQMIHDZRLK-IUCAKERBSA-N 0 3 271.244 1.801 10 5 CDBEHN CN1CCC[C@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000824002939 754480190 /nfs/dbraw/zinc/48/01/90/754480190.db2.gz JQGYOIFXXRCRHZ-JTQLQIEISA-N 0 3 293.327 1.393 10 5 CDBEHN CC(COC(=O)CN1CCc2ccccc21)[N+](=O)[O-] ZINC000813113824 754824282 /nfs/dbraw/zinc/82/42/82/754824282.db2.gz JRFSMSQOXFASFN-SNVBAGLBSA-N 0 3 264.281 1.258 10 5 CDBEHN Cc1ccncc1/C=C/C(=O)OCC(C)[N+](=O)[O-] ZINC000813100090 754874209 /nfs/dbraw/zinc/87/42/09/754874209.db2.gz MEHSAJIJOGNOBK-HMDXOVGESA-N 0 3 250.254 1.612 10 5 CDBEHN CCN1CC[C@@H]1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000712551356 755497647 /nfs/dbraw/zinc/49/76/47/755497647.db2.gz YKLXHKJUIQXMIK-SNVBAGLBSA-N 0 3 275.312 1.977 10 5 CDBEHN C[C@H](C(=O)N[C@H]1CCN(C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000928444808 755673956 /nfs/dbraw/zinc/67/39/56/755673956.db2.gz VBWMQYFETUVEHY-WDMOLILDSA-N 0 3 291.351 1.907 10 5 CDBEHN C/C(=C\c1ccccn1)C(=O)OCC(C)[N+](=O)[O-] ZINC000847713831 756357961 /nfs/dbraw/zinc/35/79/61/756357961.db2.gz CXWCUWPOJMFZPL-PCYYEKQGSA-N 0 3 250.254 1.693 10 5 CDBEHN CC(COC(=O)CCc1nnc(C2CCCC2)o1)[N+](=O)[O-] ZINC000813107042 756496974 /nfs/dbraw/zinc/49/69/74/756496974.db2.gz KZJWUVZTLGZGFW-VIFPVBQESA-N 0 3 297.311 1.868 10 5 CDBEHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)C1(O)CCC1 ZINC000930353638 756504710 /nfs/dbraw/zinc/50/47/10/756504710.db2.gz LXUFRUOTFCUAHR-AWEZNQCLSA-N 0 3 294.351 1.345 10 5 CDBEHN C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1O ZINC000852502178 756708530 /nfs/dbraw/zinc/70/85/30/756708530.db2.gz BISVHJXJABBYNG-JTNHKYCSSA-N 0 3 294.351 1.577 10 5 CDBEHN CC(COC(=O)[C@@H](C)c1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000797281872 756899525 /nfs/dbraw/zinc/89/95/25/756899525.db2.gz QPFOZAVFVMOHRD-IUCAKERBSA-N 0 3 281.264 1.727 10 5 CDBEHN CN(CC1CN(C)C1)c1cc(N)ccc1[N+](=O)[O-] ZINC000853824361 756979029 /nfs/dbraw/zinc/97/90/29/756979029.db2.gz CVTVPITVYPVCGQ-UHFFFAOYSA-N 0 3 250.302 1.175 10 5 CDBEHN COc1cccc(OCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813108386 757290788 /nfs/dbraw/zinc/29/07/88/757290788.db2.gz FPIIGDFIKUEXCK-VIFPVBQESA-N 0 3 269.253 1.282 10 5 CDBEHN O=[N+]([O-])c1cccc(CNCC[C@H]2CCCS2(=O)=O)c1 ZINC000714356485 757477251 /nfs/dbraw/zinc/47/72/51/757477251.db2.gz JHNKRZCFQLRTFW-CYBMUJFWSA-N 0 3 298.364 1.652 10 5 CDBEHN Cc1oc(C(C)C)nc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102713 757815196 /nfs/dbraw/zinc/81/51/96/757815196.db2.gz JKNKYZNOWJJHKU-ZETCQYMHSA-N 0 3 256.258 1.928 10 5 CDBEHN Cc1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000928456502 758162442 /nfs/dbraw/zinc/16/24/42/758162442.db2.gz LWYLEFZLUGQGNH-ZYHUDNBSSA-N 0 3 277.324 1.726 10 5 CDBEHN CC(COC(=O)c1cccc(C(=O)NC2CC2)c1)[N+](=O)[O-] ZINC000813103085 758265873 /nfs/dbraw/zinc/26/58/73/758265873.db2.gz NBUPWHCFOBFQGD-SECBINFHSA-N 0 3 292.291 1.401 10 5 CDBEHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCCN2C)n1 ZINC001634570847 1166517140 /nfs/dbraw/zinc/51/71/40/1166517140.db2.gz UBXVIMKWHTUCTF-JTQLQIEISA-N 0 3 278.312 1.122 10 5 CDBEHN CC(C)N1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC001296126181 954813919 /nfs/dbraw/zinc/81/39/19/954813919.db2.gz GCZZRWAZAHSPBN-NSHDSACASA-N 0 3 292.339 1.592 10 5 CDBEHN C/C(=C\C(=O)NOCCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001334407139 959093394 /nfs/dbraw/zinc/09/33/94/959093394.db2.gz DPNJLKQDGWRZNR-ZHACJKMWSA-N 0 3 293.323 1.608 10 5 CDBEHN Cc1c(C(=O)N[C@@H]2CN(C)CC2(C)C)cccc1[N+](=O)[O-] ZINC001558504574 965301570 /nfs/dbraw/zinc/30/15/70/965301570.db2.gz ZKDDLGTYOBMUCZ-CYBMUJFWSA-N 0 3 291.351 1.973 10 5 CDBEHN CC[C@H](C)[C@H](NCCOc1cccc([N+](=O)[O-])c1)C(N)=O ZINC001460772372 969542083 /nfs/dbraw/zinc/54/20/83/969542083.db2.gz HNTFDTZSHNWJRD-GWCFXTLKSA-N 0 3 295.339 1.463 10 5 CDBEHN CN(C)C(=O)[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001655709431 1171718803 /nfs/dbraw/zinc/71/88/03/1171718803.db2.gz SETLRMOGQGQALN-CYBMUJFWSA-N 0 3 291.351 1.895 10 5 CDBEHN CN(CCN(C)C1CC1)c1ncc(F)cc1[N+](=O)[O-] ZINC000601143297 342480815 /nfs/dbraw/zinc/48/08/15/342480815.db2.gz CZAVRYWPTDPZET-UHFFFAOYSA-N 0 3 268.292 1.659 10 5 CDBEHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC(C3CC3)C2)c1 ZINC000589656473 342511179 /nfs/dbraw/zinc/51/11/79/342511179.db2.gz IBTPVUYGZOICDM-CQSZACIVSA-N 0 3 292.335 1.676 10 5 CDBEHN CN1C[C@H]2[C@@H](CCN2C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000590045263 342520576 /nfs/dbraw/zinc/52/05/76/342520576.db2.gz OIRXTEVWWJJQIB-WPRPVWTQSA-N 0 3 281.337 1.432 10 5 CDBEHN CC[C@@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@H](C)N1 ZINC000599180172 343983177 /nfs/dbraw/zinc/98/31/77/343983177.db2.gz UMDBCJRGUWGFGG-JGVFFNPUSA-N 0 3 256.331 1.628 10 5 CDBEHN O=[N+]([O-])c1ccccc1OCCN[C@H]1C[C@H](O)C12CCC2 ZINC000595778795 343149990 /nfs/dbraw/zinc/14/99/90/343149990.db2.gz VGGFKNFZAPXKNP-KBPBESRZSA-N 0 3 292.335 1.867 10 5 CDBEHN N[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1F ZINC000595905790 343188534 /nfs/dbraw/zinc/18/85/34/343188534.db2.gz FUUCCGXWJKSHFB-NXEZZACHSA-N 0 3 294.286 1.607 10 5 CDBEHN CN1CCOC[C@H]1CNCc1cccc([N+](=O)[O-])c1 ZINC000599004675 343937677 /nfs/dbraw/zinc/93/76/77/343937677.db2.gz XBCNIGGMGDAEHH-CYBMUJFWSA-N 0 3 265.313 1.015 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000603843196 344837900 /nfs/dbraw/zinc/83/79/00/344837900.db2.gz DQRUFHANCXRLAG-MFKMUULPSA-N 0 3 290.323 1.763 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1=CCN(C)CC1 ZINC000271874668 191383175 /nfs/dbraw/zinc/38/31/75/191383175.db2.gz MCDVYFDIDHQLRV-UHFFFAOYSA-N 0 3 289.335 1.895 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)[C@H](C)CO ZINC000450734027 358995889 /nfs/dbraw/zinc/99/58/89/358995889.db2.gz UGXVYZNJOKURAQ-MNOVXSKESA-N 0 3 295.339 1.448 10 5 CDBEHN CN1CCN(CCCNc2ccncc2[N+](=O)[O-])CC1 ZINC000248061726 360339695 /nfs/dbraw/zinc/33/96/95/360339695.db2.gz UXHXGJAIFOEFIW-UHFFFAOYSA-N 0 3 279.344 1.039 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000408469565 361214116 /nfs/dbraw/zinc/21/41/16/361214116.db2.gz SKMQSAOPYXIGFI-MFKMUULPSA-N 0 3 290.323 1.074 10 5 CDBEHN CCN1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000389530403 374920208 /nfs/dbraw/zinc/92/02/08/374920208.db2.gz BXKVCLVOYZHFQI-VIFPVBQESA-N 0 3 278.312 1.001 10 5 CDBEHN CCCCN(C)CCNC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427858778 247205018 /nfs/dbraw/zinc/20/50/18/247205018.db2.gz MGHOKCXSYJLLQV-UHFFFAOYSA-N 0 3 297.359 1.273 10 5 CDBEHN O=[N+]([O-])c1ccc2sc(N3CCNCC3)nc2c1 ZINC000095092052 285152200 /nfs/dbraw/zinc/15/22/00/285152200.db2.gz GLDZKYXWOYRBQZ-UHFFFAOYSA-N 0 3 264.310 1.614 10 5 CDBEHN O=[N+]([O-])c1cnc2c(c1)CN(CC1CCOCC1)CC2 ZINC000408197100 285184256 /nfs/dbraw/zinc/18/42/56/285184256.db2.gz GSURBBZWVONSTI-UHFFFAOYSA-N 0 3 277.324 1.775 10 5 CDBEHN Cc1cc(N2CCO[C@@H](CN(C)C)C2)ncc1[N+](=O)[O-] ZINC000266838214 391586486 /nfs/dbraw/zinc/58/64/86/391586486.db2.gz KUXBANDZQFQKRI-NSHDSACASA-N 0 3 280.328 1.065 10 5 CDBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000247017573 140285470 /nfs/dbraw/zinc/28/54/70/140285470.db2.gz GAHSIFHCTGMPHB-KOLCDFICSA-N 0 3 295.364 1.965 10 5 CDBEHN Cn1cc(CCNCc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000313624089 149245000 /nfs/dbraw/zinc/24/50/00/149245000.db2.gz GEYMFZYHUPQVMC-UHFFFAOYSA-N 0 3 278.287 1.800 10 5 CDBEHN CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CCN(C2CC2)C1 ZINC000347007688 153376401 /nfs/dbraw/zinc/37/64/01/153376401.db2.gz HLCATJZCJJMHLL-LLVKDONJSA-N 0 3 292.339 1.242 10 5 CDBEHN CN1CCC(Nc2ccc(O)cc2[N+](=O)[O-])CC1 ZINC000037162432 172997472 /nfs/dbraw/zinc/99/74/72/172997472.db2.gz HQYWJFDHMYBKQL-UHFFFAOYSA-N 0 3 251.286 1.807 10 5 CDBEHN CNCc1cc([N+](=O)[O-])ccc1OCCCOC ZINC000037753510 173677407 /nfs/dbraw/zinc/67/74/07/173677407.db2.gz GIRJLFJPNKGXAE-UHFFFAOYSA-N 0 3 254.286 1.730 10 5 CDBEHN CN(C)C(=O)CCCOc1ccc(CN)cc1[N+](=O)[O-] ZINC000043447992 175048545 /nfs/dbraw/zinc/04/85/45/175048545.db2.gz NDCAOYLDVHVYQV-UHFFFAOYSA-N 0 3 281.312 1.301 10 5 CDBEHN CS[C@@H]1CN(c2ccncc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000340754283 295651120 /nfs/dbraw/zinc/65/11/20/295651120.db2.gz OJQAICCYYTTZPR-NWDGAFQWSA-N 0 3 282.369 1.472 10 5 CDBEHN CNC(=O)CCN(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183327473 323330460 /nfs/dbraw/zinc/33/04/60/323330460.db2.gz CISDBHDBBFYDIU-UHFFFAOYSA-N 0 3 265.313 1.471 10 5 CDBEHN CCNc1ccc(CN(C)CCO)cc1[N+](=O)[O-] ZINC000050814517 520299966 /nfs/dbraw/zinc/29/99/66/520299966.db2.gz KVTRKYKCHCZFAG-UHFFFAOYSA-N 0 3 253.302 1.451 10 5 CDBEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000247281988 519693248 /nfs/dbraw/zinc/69/32/48/519693248.db2.gz KIYHMXWVJWABMC-NXEZZACHSA-N 0 3 281.312 1.646 10 5 CDBEHN CC(C)CNC(=O)[C@@H](C)Oc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516458 519739093 /nfs/dbraw/zinc/73/90/93/519739093.db2.gz RONRXEZKJMFIKS-SNVBAGLBSA-N 0 3 295.339 1.593 10 5 CDBEHN CCCNC(=O)[C@@H](C)Oc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516473 519888891 /nfs/dbraw/zinc/88/88/91/519888891.db2.gz UDKUXZIBJWUZCJ-SECBINFHSA-N 0 3 281.312 1.347 10 5 CDBEHN CCN[C@@](COc1ccc([N+](=O)[O-])cc1)(C(N)=O)C1CC1 ZINC000069194416 520159068 /nfs/dbraw/zinc/15/90/68/520159068.db2.gz VYWBGHAAXFQMQW-CQSZACIVSA-N 0 3 293.323 1.217 10 5 CDBEHN CCNC(=O)[C@H](C)NCCc1ccccc1[N+](=O)[O-] ZINC000062726423 521745429 /nfs/dbraw/zinc/74/54/29/521745429.db2.gz UKFRBAAYELAZQA-JTQLQIEISA-N 0 3 265.313 1.252 10 5 CDBEHN CN[C@](C)(C[C@H](C)Oc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000068650892 522523169 /nfs/dbraw/zinc/52/31/69/522523169.db2.gz ALAMGVRSYWNGRS-TVQRCGJNSA-N 0 3 281.312 1.216 10 5 CDBEHN CNc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000050792083 522610709 /nfs/dbraw/zinc/61/07/09/522610709.db2.gz MECVESIFTCFTJZ-NSHDSACASA-N 0 3 292.339 1.334 10 5 CDBEHN CC[C@H](Oc1ccc([N+](=O)[O-])cc1CNC1CC1)C(N)=O ZINC000061675908 522876883 /nfs/dbraw/zinc/87/68/83/522876883.db2.gz HPXMMMIGTTZLCZ-LBPRGKRZSA-N 0 3 293.323 1.490 10 5 CDBEHN COc1ccc(C(=O)N2[C@@H](C)CNC[C@@H]2C)cc1[N+](=O)[O-] ZINC000069132552 523673269 /nfs/dbraw/zinc/67/32/69/523673269.db2.gz CJOZYVGQLGAXFJ-UWVGGRQHSA-N 0 3 293.323 1.426 10 5 CDBEHN COCCNCc1cc([N+](=O)[O-])ccc1OCCN(C)C ZINC000062732097 523950126 /nfs/dbraw/zinc/95/01/26/523950126.db2.gz GLLCFCXCMUZWIU-UHFFFAOYSA-N 0 3 297.355 1.271 10 5 CDBEHN NNc1ccc(CN2CCC[C@H]2CCCO)cc1[N+](=O)[O-] ZINC000052763264 527279194 /nfs/dbraw/zinc/27/91/94/527279194.db2.gz CZAQLFFHSMQNDN-LBPRGKRZSA-N 0 3 294.355 1.617 10 5 CDBEHN O=[N+]([O-])c1ccc(OC2CNC2)cc1C(F)(F)F ZINC000062810117 527370886 /nfs/dbraw/zinc/37/08/86/527370886.db2.gz BGIKQMQXFXYQJW-UHFFFAOYSA-N 0 3 262.187 1.964 10 5 CDBEHN Cn1cccc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000746415300 576775254 /nfs/dbraw/zinc/77/52/54/576775254.db2.gz NOFWORDGVDJSRA-CQSZACIVSA-N 0 3 275.308 1.757 10 5 CDBEHN CC(COC(=O)[C@H](C)OCc1ccccc1)[N+](=O)[O-] ZINC000813102180 617342108 /nfs/dbraw/zinc/34/21/08/617342108.db2.gz ORYCSTFZDGNEFQ-MNOVXSKESA-N 0 3 267.281 1.800 10 5 CDBEHN CCOc1ncc(C(=O)OCC(C)[N+](=O)[O-])cc1Cl ZINC000813110176 617345816 /nfs/dbraw/zinc/34/58/16/617345816.db2.gz UIXTTXHGPHJHDR-ZETCQYMHSA-N 0 3 288.687 1.956 10 5 CDBEHN Cc1cc(N2CC(N[C@@H]3CCOC3)C2)c([N+](=O)[O-])s1 ZINC001640464553 1167026649 /nfs/dbraw/zinc/02/66/49/1167026649.db2.gz AETHPRKPUZFNMH-SECBINFHSA-N 0 3 283.353 1.532 10 5 CDBEHN NC(=O)C1CC(NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000716790951 769300551 /nfs/dbraw/zinc/30/05/51/769300551.db2.gz RWPLLQURGFFVMA-UHFFFAOYSA-N 0 3 267.260 1.087 10 5 CDBEHN COc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1F ZINC000813115235 769313005 /nfs/dbraw/zinc/31/30/05/769313005.db2.gz NODZGRCIKMDICA-MRVPVSSYSA-N 0 3 271.244 1.585 10 5 CDBEHN C/C(=C/c1ccncc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000847714245 769479926 /nfs/dbraw/zinc/47/99/26/769479926.db2.gz OAWAWLROYAALAI-RNKPRXRFSA-N 0 3 250.254 1.693 10 5 CDBEHN CC(COC(=O)c1ccc(N2CCOCC2)cc1)[N+](=O)[O-] ZINC000813114664 769805863 /nfs/dbraw/zinc/80/58/63/769805863.db2.gz FHZHOPWDGBXMNJ-NSHDSACASA-N 0 3 294.307 1.345 10 5 CDBEHN CC(COC(=O)CO[C@@H]1CCC[C@@H](C)C1)[N+](=O)[O-] ZINC000813106356 771128253 /nfs/dbraw/zinc/12/82/53/771128253.db2.gz BLSYWRAOUHABSN-GMTAPVOTSA-N 0 3 259.302 1.790 10 5 CDBEHN CC(COC(=O)CCC(=O)c1cccs1)[N+](=O)[O-] ZINC000813114760 771186606 /nfs/dbraw/zinc/18/66/06/771186606.db2.gz GJILJDVMHSOXKU-MRVPVSSYSA-N 0 3 271.294 1.919 10 5 CDBEHN Cc1nc(CC(=O)OCC(C)[N+](=O)[O-])c(C)s1 ZINC000813110796 771841475 /nfs/dbraw/zinc/84/14/75/771841475.db2.gz JQQIFFADOQZRIM-ZCFIWIBFSA-N 0 3 258.299 1.511 10 5 CDBEHN COCCCOc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813106742 771979005 /nfs/dbraw/zinc/97/90/05/771979005.db2.gz HGJXAVCFFDXCJP-LLVKDONJSA-N 0 3 297.307 1.924 10 5 CDBEHN O=[N+]([O-])c1ccc([C@H](O)CN2CC(C3CC3)C2)cc1 ZINC000812313328 772488510 /nfs/dbraw/zinc/48/85/10/772488510.db2.gz SOFGPEFUUKEOFQ-CQSZACIVSA-N 0 3 262.309 1.970 10 5 CDBEHN Cc1ccc(OCC(=O)OCC(C)[N+](=O)[O-])c(C)c1 ZINC000813114590 772780688 /nfs/dbraw/zinc/78/06/88/772780688.db2.gz DGTWNLWLYQGKCA-NSHDSACASA-N 0 3 267.281 1.891 10 5 CDBEHN Cc1nc2sccn2c1C(=O)OCC(C)[N+](=O)[O-] ZINC000860776680 772894621 /nfs/dbraw/zinc/89/46/21/772894621.db2.gz GRYCKMGRPAIWGG-LURJTMIESA-N 0 3 269.282 1.526 10 5 CDBEHN CC(C)[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CCN1C ZINC000866216662 773098164 /nfs/dbraw/zinc/09/81/64/773098164.db2.gz AHQRDFXWHVQNCK-CQSZACIVSA-N 0 3 278.356 1.953 10 5 CDBEHN O=[N+]([O-])c1ccc(CCO)c(-c2cnn3c2CNCC3)c1 ZINC000863727230 773324167 /nfs/dbraw/zinc/32/41/67/773324167.db2.gz OYAXVMJKKHONAZ-UHFFFAOYSA-N 0 3 288.307 1.096 10 5 CDBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C(C)(C)F ZINC001481200708 899148697 /nfs/dbraw/zinc/14/86/97/899148697.db2.gz AFKIWPDOVQUBFF-UHFFFAOYSA-N 0 3 297.330 1.891 10 5 CDBEHN O=C1OCC[C@@]12CCN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC001473899574 970889148 /nfs/dbraw/zinc/88/91/48/970889148.db2.gz PONRHKDVTOZJGI-CQSZACIVSA-N 0 3 276.292 1.734 10 5 CDBEHN CN(CCNC(=O)C1CC1)CCc1cccc([N+](=O)[O-])c1 ZINC001559782698 960818984 /nfs/dbraw/zinc/81/89/84/960818984.db2.gz WSJQMLCPTFJWMD-UHFFFAOYSA-N 0 3 291.351 1.595 10 5 CDBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ccccc1[N+](=O)[O-] ZINC000591982982 342659366 /nfs/dbraw/zinc/65/93/66/342659366.db2.gz SDEKUHYZCJLADT-LLVKDONJSA-N 0 3 292.339 1.151 10 5 CDBEHN O=[N+]([O-])c1ccc(-c2cnc(N3CCNCC3)nc2)cc1 ZINC000600846043 342252523 /nfs/dbraw/zinc/25/25/23/342252523.db2.gz UYONQLDLXGRAAE-UHFFFAOYSA-N 0 3 285.307 1.461 10 5 CDBEHN C[C@H](NCC[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000404213095 349768683 /nfs/dbraw/zinc/76/86/83/349768683.db2.gz XJLVUMKMYCZCOK-FZMZJTMJSA-N 0 3 280.324 1.787 10 5 CDBEHN COCCN1CCC[C@@H]1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000078658788 342339030 /nfs/dbraw/zinc/33/90/30/342339030.db2.gz MNBXTGKMNAAHRU-GFCCVEGCSA-N 0 3 294.355 1.821 10 5 CDBEHN CCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CCN(CC)C1 ZINC000598043879 343704626 /nfs/dbraw/zinc/70/46/26/343704626.db2.gz WXIFTZZJPNZHAK-NSHDSACASA-N 0 3 294.355 1.490 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCC[C@H]1O ZINC000052013539 362273915 /nfs/dbraw/zinc/27/39/15/362273915.db2.gz UECSYVJXCCJWTO-CHWSQXEVSA-N 0 3 280.324 1.997 10 5 CDBEHN CN1C[C@H]2[C@@H](CCN2C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601594638 344200505 /nfs/dbraw/zinc/20/05/05/344200505.db2.gz NCVJNKFCCQVBNL-CABZTGNLSA-N 0 3 293.298 1.510 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000601594637 344200526 /nfs/dbraw/zinc/20/05/26/344200526.db2.gz NCVJNKFCCQVBNL-BXKDBHETSA-N 0 3 293.298 1.510 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCOCCN(C)C ZINC000537543497 282364378 /nfs/dbraw/zinc/36/43/78/282364378.db2.gz OBPFAFUIPNNMOL-UHFFFAOYSA-N 0 3 295.339 1.211 10 5 CDBEHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000292856960 362515076 /nfs/dbraw/zinc/51/50/76/362515076.db2.gz AJSXLILOANGHIE-UTUOFQBUSA-N 0 3 280.324 1.675 10 5 CDBEHN CCN[C@@H](CCO)C[S@@](=O)c1ccc([N+](=O)[O-])cc1 ZINC000085928044 179202699 /nfs/dbraw/zinc/20/26/99/179202699.db2.gz NITINBTZNCSZKN-OVWNDWIMSA-N 0 3 286.353 1.063 10 5 CDBEHN COCC[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1C ZINC000341559141 358653445 /nfs/dbraw/zinc/65/34/45/358653445.db2.gz OWDQVXZKHUDQOS-LBPRGKRZSA-N 0 3 268.313 1.390 10 5 CDBEHN Cc1nc(N(C)[C@H]2CCN(C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000297108904 200087536 /nfs/dbraw/zinc/08/75/36/200087536.db2.gz LQYZIFDSCJAHLE-ONGXEEELSA-N 0 3 279.344 1.612 10 5 CDBEHN CN1CCC[C@H](CNc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302026762 201305827 /nfs/dbraw/zinc/30/58/27/201305827.db2.gz IJZRSBGOTUCOCW-GFCCVEGCSA-N 0 3 279.340 1.841 10 5 CDBEHN CN1CCC(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000094771676 366978744 /nfs/dbraw/zinc/97/87/44/366978744.db2.gz PILICKRKIDCFFB-UHFFFAOYSA-N 0 3 275.312 1.977 10 5 CDBEHN Cc1cc(OC[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000080745182 374478596 /nfs/dbraw/zinc/47/85/96/374478596.db2.gz CJVXZNHUMXHUAM-LLVKDONJSA-N 0 3 252.270 1.270 10 5 CDBEHN COC[C@@H](O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544106 390630984 /nfs/dbraw/zinc/63/09/84/390630984.db2.gz DRWWXRODUGNXAL-ZFWWWQNUSA-N 0 3 294.351 1.782 10 5 CDBEHN CNC(=O)[C@H](NCCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000183671098 391292604 /nfs/dbraw/zinc/29/26/04/391292604.db2.gz GRXOJOXHMYUJKE-CYBMUJFWSA-N 0 3 295.339 1.334 10 5 CDBEHN CCN1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000048753430 391376381 /nfs/dbraw/zinc/37/63/81/391376381.db2.gz IRWGACJQEDYEBG-GFCCVEGCSA-N 0 3 277.324 1.809 10 5 CDBEHN C[C@@H]1CC(C)(C)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000412050809 391840195 /nfs/dbraw/zinc/84/01/95/391840195.db2.gz ZVBQEURCTXDCDI-SNVBAGLBSA-N 0 3 252.318 1.912 10 5 CDBEHN Cc1cc(N2CCO[C@@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000284556299 393193421 /nfs/dbraw/zinc/19/34/21/393193421.db2.gz MZLPARJQPAGQSZ-LSDHHAIUSA-N 0 3 291.351 1.813 10 5 CDBEHN CC1(C)CCCN[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000232939702 140225957 /nfs/dbraw/zinc/22/59/57/140225957.db2.gz HPBQGULPBDYYAC-ZDUSSCGKSA-N 0 3 291.351 1.989 10 5 CDBEHN CO[C@@H]1CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000040633274 174359367 /nfs/dbraw/zinc/35/93/67/174359367.db2.gz SITWLSZEPUWDIR-JQWIXIFHSA-N 0 3 279.296 1.219 10 5 CDBEHN CO[C@@H]1CN[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000040633254 174359470 /nfs/dbraw/zinc/35/94/70/174359470.db2.gz PVHAJNDLWOHYHC-ONGXEEELSA-N 0 3 279.296 1.219 10 5 CDBEHN C[C@@H]1NC(=O)CC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000392942027 270336187 /nfs/dbraw/zinc/33/61/87/270336187.db2.gz QBPTVCJCKBUQSS-GXSJLCMTSA-N 0 3 263.297 1.352 10 5 CDBEHN C[C@H]1[C@H](CO)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000395211495 270342080 /nfs/dbraw/zinc/34/20/80/270342080.db2.gz QGYWNGHCLUZFBL-JQWIXIFHSA-N 0 3 250.298 1.798 10 5 CDBEHN C[C@@H]1[C@H](CO)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000395211497 270342164 /nfs/dbraw/zinc/34/21/64/270342164.db2.gz QGYWNGHCLUZFBL-PWSUYJOCSA-N 0 3 250.298 1.798 10 5 CDBEHN C[C@@H]1[C@@H](CO)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000395211499 270342453 /nfs/dbraw/zinc/34/24/53/270342453.db2.gz QGYWNGHCLUZFBL-ZYHUDNBSSA-N 0 3 250.298 1.798 10 5 CDBEHN CNC(=O)[C@H](C)CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000176354386 277248495 /nfs/dbraw/zinc/24/84/95/277248495.db2.gz DVRVJOPHHAEXGU-MNOVXSKESA-N 0 3 279.340 1.970 10 5 CDBEHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)[C@@H](C)CN1 ZINC000086471125 278803660 /nfs/dbraw/zinc/80/36/60/278803660.db2.gz VIVCGBZEPBRJFU-SFYZADRCSA-N 0 3 277.284 1.318 10 5 CDBEHN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](N(C)C)C2)n1 ZINC000408172597 280399221 /nfs/dbraw/zinc/39/92/21/280399221.db2.gz YMYZPVXWWZNWHV-LLVKDONJSA-N 0 3 264.329 1.747 10 5 CDBEHN CC(C)[C@H](CN(C)C)NC(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050708761 519814141 /nfs/dbraw/zinc/81/41/41/519814141.db2.gz VTNIOQLEADXDPC-LBPRGKRZSA-N 0 3 294.355 1.493 10 5 CDBEHN CCNC(C)(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000061288427 519908357 /nfs/dbraw/zinc/90/83/57/519908357.db2.gz DKYMRGWAWSCLNK-UHFFFAOYSA-N 0 3 251.286 1.921 10 5 CDBEHN CN(C)C[C@H]1CCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000061644501 521863615 /nfs/dbraw/zinc/86/36/15/521863615.db2.gz MDJGYFFNSUAVSG-LLVKDONJSA-N 0 3 295.314 1.900 10 5 CDBEHN CN(C)C[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1N ZINC000061653192 521869169 /nfs/dbraw/zinc/86/91/69/521869169.db2.gz NGGYXVQMNQDHMJ-CYBMUJFWSA-N 0 3 278.356 1.703 10 5 CDBEHN CN[C@@](C)(C[C@@H](C)Oc1ccc([N+](=O)[O-])c(C)c1)C(N)=O ZINC000068651117 522415099 /nfs/dbraw/zinc/41/50/99/522415099.db2.gz QUIVTHQTGROGDI-YGRLFVJLSA-N 0 3 295.339 1.524 10 5 CDBEHN CN[C@@](C)(C[C@H](C)Oc1ccc(C)cc1[N+](=O)[O-])C(N)=O ZINC000068652096 522420518 /nfs/dbraw/zinc/42/05/18/522420518.db2.gz KUVCFNFBUYCESX-HZMBPMFUSA-N 0 3 295.339 1.524 10 5 CDBEHN CN[C@](CSc1ccc([N+](=O)[O-])cc1)(C(N)=O)C1CC1 ZINC000069184483 522532336 /nfs/dbraw/zinc/53/23/36/522532336.db2.gz HHTBIEHVKZAUOR-ZDUSSCGKSA-N 0 3 295.364 1.540 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1Oc1c(CN)c(C)nn1C ZINC000050505897 522986772 /nfs/dbraw/zinc/98/67/72/522986772.db2.gz PVDWSULEPNSWSC-UHFFFAOYSA-N 0 3 292.295 1.896 10 5 CDBEHN CN1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2N)C1 ZINC000052840754 523816569 /nfs/dbraw/zinc/81/65/69/523816569.db2.gz GLQUDSLZEDZTNI-SECBINFHSA-N 0 3 250.302 1.683 10 5 CDBEHN CC(C)[C@H](CO)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000092400220 1174383931 /nfs/dbraw/zinc/38/39/31/1174383931.db2.gz YZTQJXPEWIGSRN-NSHDSACASA-N 0 3 256.277 1.840 10 5 CDBEHN C[C@H](NC[C@H]1CN(C)CCN1C)c1ccccc1[N+](=O)[O-] ZINC000068801294 525421815 /nfs/dbraw/zinc/42/18/15/525421815.db2.gz SOTZHOHPYGNBCL-STQMWFEESA-N 0 3 292.383 1.491 10 5 CDBEHN CC(COC(=O)c1cnn(C)c1C(F)F)[N+](=O)[O-] ZINC000813109640 617345437 /nfs/dbraw/zinc/34/54/37/617345437.db2.gz VAHUEFNPYMZKQX-RXMQYKEDSA-N 0 3 263.200 1.180 10 5 CDBEHN Cc1ncc(/C=C/C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813111539 617346366 /nfs/dbraw/zinc/34/63/66/617346366.db2.gz IRBSZJUSUKVYPW-SDLBARTOSA-N 0 3 256.283 1.673 10 5 CDBEHN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000910282151 628958130 /nfs/dbraw/zinc/95/81/30/628958130.db2.gz SKQAMWKTSAIYCV-LLVKDONJSA-N 0 3 292.339 1.546 10 5 CDBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C1CC1 ZINC001732756376 1183109826 /nfs/dbraw/zinc/10/98/26/1183109826.db2.gz CRGYNRFLRIDJJT-UHFFFAOYSA-N 0 3 291.351 1.943 10 5 CDBEHN CC(COC(=O)c1cncc(C(F)(F)F)c1)[N+](=O)[O-] ZINC000813102620 774070515 /nfs/dbraw/zinc/07/05/15/774070515.db2.gz TZBYZJVJISOLFN-LURJTMIESA-N 0 3 278.186 1.922 10 5 CDBEHN CSCC[C@H](N)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000870963269 774638000 /nfs/dbraw/zinc/63/80/00/774638000.db2.gz XTWGZYNFCYROJZ-NSHDSACASA-N 0 3 297.380 1.600 10 5 CDBEHN COc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1OC ZINC000813109533 774793169 /nfs/dbraw/zinc/79/31/69/774793169.db2.gz KTINNPPCHDYFKS-MRVPVSSYSA-N 0 3 269.253 1.526 10 5 CDBEHN CC(C)c1ccc(CNC[C@@H](O)[C@H](C)O)cc1[N+](=O)[O-] ZINC000865740294 775013568 /nfs/dbraw/zinc/01/35/68/775013568.db2.gz GCAFATISWWUKCM-IINYFYTJSA-N 0 3 282.340 1.550 10 5 CDBEHN CC(COC(=O)c1ccc(N2CCCC2)nc1)[N+](=O)[O-] ZINC000813114606 775674494 /nfs/dbraw/zinc/67/44/94/775674494.db2.gz DMYDKYLAOHDAOS-JTQLQIEISA-N 0 3 279.296 1.504 10 5 CDBEHN CC(COC(=O)CO[C@H]1CCC[C@@H](C)C1)[N+](=O)[O-] ZINC000813106359 777184051 /nfs/dbraw/zinc/18/40/51/777184051.db2.gz BLSYWRAOUHABSN-VWYCJHECSA-N 0 3 259.302 1.790 10 5 CDBEHN CC(COC(=O)c1cnc(C2CC2)s1)[N+](=O)[O-] ZINC000813110304 777453731 /nfs/dbraw/zinc/45/37/31/777453731.db2.gz WXUCSOOBPARFPU-LURJTMIESA-N 0 3 256.283 1.843 10 5 CDBEHN COc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1F ZINC000813108967 778540685 /nfs/dbraw/zinc/54/06/85/778540685.db2.gz CWWWIMPXSMFWLP-ZETCQYMHSA-N 0 3 257.217 1.656 10 5 CDBEHN Cc1ccc(CNC2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000037269812 780170085 /nfs/dbraw/zinc/17/00/85/780170085.db2.gz LHHKTMROBXQTQB-UHFFFAOYSA-N 0 3 298.364 1.570 10 5 CDBEHN O=[N+]([O-])c1cc(Cl)cnc1N1CC(N[C@H]2CCOC2)C1 ZINC001187740011 920640268 /nfs/dbraw/zinc/64/02/68/920640268.db2.gz SZVRLHJOENMOLS-VIFPVBQESA-N 0 3 298.730 1.210 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCCC[C@H]2[C@@H]2CCCO2)c1 ZINC001198686028 925501142 /nfs/dbraw/zinc/50/11/42/925501142.db2.gz PZTVAGWEAWOIQO-KBPBESRZSA-N 0 3 294.355 1.825 10 5 CDBEHN CC(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001326773178 954539179 /nfs/dbraw/zinc/53/91/79/954539179.db2.gz RENFXZVGDIDDEZ-UHFFFAOYSA-N 0 3 277.324 1.743 10 5 CDBEHN CN(C)C1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601135629 342476288 /nfs/dbraw/zinc/47/62/88/342476288.db2.gz IGLXCQLSQRIWKD-UHFFFAOYSA-N 0 3 293.249 1.097 10 5 CDBEHN CN1CC[C@@]2(CCN(c3ncc(F)cc3[N+](=O)[O-])C2)C1 ZINC000601168482 342485545 /nfs/dbraw/zinc/48/55/45/342485545.db2.gz YIAINSBHXKQRGP-CYBMUJFWSA-N 0 3 280.303 1.661 10 5 CDBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)[C@@H](C)CO)c1 ZINC000589506807 342508088 /nfs/dbraw/zinc/50/80/88/342508088.db2.gz WCGSDQPGDRUTLR-UWVGGRQHSA-N 0 3 296.323 1.488 10 5 CDBEHN CN1C[C@@H]2CCN(C(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590446437 342546802 /nfs/dbraw/zinc/54/68/02/342546802.db2.gz VFTVNBCAWCRZHI-GXFFZTMASA-N 0 3 275.308 1.371 10 5 CDBEHN O=C(NC[C@H]1CCN1C1CCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000600469183 342214798 /nfs/dbraw/zinc/21/47/98/342214798.db2.gz IAWFUKSIJPSBFY-SNVBAGLBSA-N 0 3 293.327 1.065 10 5 CDBEHN COc1cc(CN[C@H](CO)C2CCC2)c([N+](=O)[O-])cc1F ZINC000595616369 343110089 /nfs/dbraw/zinc/11/00/89/343110089.db2.gz MYAHFOJTGLNQEY-GFCCVEGCSA-N 0 3 298.314 1.993 10 5 CDBEHN CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC2(CNC2)O1 ZINC000595891740 343182319 /nfs/dbraw/zinc/18/23/19/343182319.db2.gz NGFPBLHQWCAYQF-CYBMUJFWSA-N 0 3 291.351 1.548 10 5 CDBEHN COc1cc(CN2CC[C@@H](CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000588975790 342446497 /nfs/dbraw/zinc/44/64/97/342446497.db2.gz JKEBYAJXWZCGRT-NSHDSACASA-N 0 3 293.323 1.301 10 5 CDBEHN CC[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000598536813 343828630 /nfs/dbraw/zinc/82/86/30/343828630.db2.gz YATPLJFPFLTXDU-WCQYABFASA-N 0 3 291.351 1.736 10 5 CDBEHN Cc1ccc([C@H](C)NC[C@H]2COCCN2C)cc1[N+](=O)[O-] ZINC000599082680 343957804 /nfs/dbraw/zinc/95/78/04/343957804.db2.gz YCNVDORMEZFUMB-JSGCOSHPSA-N 0 3 293.367 1.884 10 5 CDBEHN CCN1CCO[C@H](CNCc2cccc([N+](=O)[O-])c2)C1 ZINC000113266834 350662624 /nfs/dbraw/zinc/66/26/24/350662624.db2.gz NVGCTGYCZVMBPV-CQSZACIVSA-N 0 3 279.340 1.405 10 5 CDBEHN C[C@@H](O)C(C)(C)NCc1ccc([N+](=O)[O-])cc1F ZINC000336790136 356261925 /nfs/dbraw/zinc/26/19/25/356261925.db2.gz KSDGZWKQMWDXTN-MRVPVSSYSA-N 0 3 256.277 1.983 10 5 CDBEHN CCN1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)C1 ZINC000247163355 356700437 /nfs/dbraw/zinc/70/04/37/356700437.db2.gz ANIVEYSNICBXEP-WDEREUQCSA-N 0 3 295.339 1.990 10 5 CDBEHN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000183141193 357456611 /nfs/dbraw/zinc/45/66/11/357456611.db2.gz WAHZMESPCMNFHM-RNCFNFMXSA-N 0 3 293.323 1.351 10 5 CDBEHN CN(CCOc1ccccc1[N+](=O)[O-])CC1(CO)CC1 ZINC000186808995 357695034 /nfs/dbraw/zinc/69/50/34/357695034.db2.gz JBSMUPCQHRNHQL-UHFFFAOYSA-N 0 3 280.324 1.678 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCC[C@@]3(CCOC3)C2)c1 ZINC000451897563 359233155 /nfs/dbraw/zinc/23/31/55/359233155.db2.gz HPOPJXNOHCKBLX-CYBMUJFWSA-N 0 3 280.328 1.294 10 5 CDBEHN NCc1cc(I)cc([N+](=O)[O-])n1 ZINC000095766778 283527619 /nfs/dbraw/zinc/52/76/19/283527619.db2.gz LESOFONGRRLOSC-UHFFFAOYSA-N 0 3 279.037 1.053 10 5 CDBEHN COC[C@@](C)(CCO)NCc1cccc([N+](=O)[O-])c1C ZINC000177407822 238299129 /nfs/dbraw/zinc/29/91/29/238299129.db2.gz SSNAFXYPHWMTMT-CQSZACIVSA-N 0 3 282.340 1.780 10 5 CDBEHN CCN1CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301948211 201272052 /nfs/dbraw/zinc/27/20/52/201272052.db2.gz YKSKWWMQICHMBR-UHFFFAOYSA-N 0 3 290.327 1.534 10 5 CDBEHN Cc1c(C(=O)N2CC[C@@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000170863056 369978123 /nfs/dbraw/zinc/97/81/23/369978123.db2.gz LIBURNFKXIPHDI-LLVKDONJSA-N 0 3 277.324 1.679 10 5 CDBEHN O=[N+]([O-])c1ccc2nc(OC[C@@H]3CCCC[NH2+]3)[n-]c2c1 ZINC000094772360 374846889 /nfs/dbraw/zinc/84/68/89/374846889.db2.gz ZXVDICVEAHHOGH-VIFPVBQESA-N 0 3 276.296 1.992 10 5 CDBEHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000282303268 375076921 /nfs/dbraw/zinc/07/69/21/375076921.db2.gz JWMNYWXHMKQZCA-OPQQBVKSSA-N 0 3 277.324 1.913 10 5 CDBEHN COC[C@@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000227712394 375597329 /nfs/dbraw/zinc/59/73/29/375597329.db2.gz ZYYFIIHFNCZKGS-ZWNOBZJWSA-N 0 3 268.313 1.907 10 5 CDBEHN O=[N+]([O-])c1ccccc1NC[C@H]1CCCCN1CCO ZINC000450614469 251368907 /nfs/dbraw/zinc/36/89/07/251368907.db2.gz NHMCVUCPDSPGMM-GFCCVEGCSA-N 0 3 279.340 1.854 10 5 CDBEHN C[C@@H](O)CCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000450938940 390580714 /nfs/dbraw/zinc/58/07/14/390580714.db2.gz LCUADTPSPKRXPU-LLVKDONJSA-N 0 3 252.314 1.840 10 5 CDBEHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)N(C)C1CC1 ZINC000532143623 393068144 /nfs/dbraw/zinc/06/81/44/393068144.db2.gz PPEFZDWBTQTHPC-VIFPVBQESA-N 0 3 278.312 1.202 10 5 CDBEHN Cc1cc(N2CCO[C@@H]3CCN(C)C[C@@H]32)ncc1[N+](=O)[O-] ZINC000284593234 393193030 /nfs/dbraw/zinc/19/30/30/393193030.db2.gz QGMJSGFLLSCBDW-QWHCGFSZSA-N 0 3 292.339 1.208 10 5 CDBEHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN2CCC1CC2 ZINC000188842705 140102467 /nfs/dbraw/zinc/10/24/67/140102467.db2.gz XLVNZOYHLLNHHO-UHFFFAOYSA-N 0 3 289.335 1.444 10 5 CDBEHN CC(C)(C)[C@H](O)C[C@@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000284201549 196002770 /nfs/dbraw/zinc/00/27/70/196002770.db2.gz YYHCNJSDLJUVTE-GXTWGEPZSA-N 0 3 296.367 1.842 10 5 CDBEHN CO[C@H]1C[C@@H](CN(C)c2cc(C)c([N+](=O)[O-])cn2)N(C)C1 ZINC000284652627 196104681 /nfs/dbraw/zinc/10/46/81/196104681.db2.gz WWLOSWJBVZZDKO-RYUDHWBXSA-N 0 3 294.355 1.454 10 5 CDBEHN CCN1CCC[C@H](NCc2ccc([N+](=O)[O-])o2)C1 ZINC000040502789 174298961 /nfs/dbraw/zinc/29/89/61/174298961.db2.gz FOLSDWWNJDIMBQ-JTQLQIEISA-N 0 3 253.302 1.762 10 5 CDBEHN CO[C@@H]1CN[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040633259 174359578 /nfs/dbraw/zinc/35/95/78/174359578.db2.gz GMNQKHJXUFTQOU-GZMMTYOYSA-N 0 3 299.714 1.564 10 5 CDBEHN N[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043299765 175000259 /nfs/dbraw/zinc/00/02/59/175000259.db2.gz CJKXFOCAXVYPMX-KOLCDFICSA-N 0 3 270.310 1.029 10 5 CDBEHN CC(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000043474429 175054304 /nfs/dbraw/zinc/05/43/04/175054304.db2.gz JVBJWYXARLRTEZ-UHFFFAOYSA-N 0 3 255.249 1.670 10 5 CDBEHN CC(C)N[C@@H]1CCN(c2ccc(F)c([N+](=O)[O-])c2)C1=O ZINC000071039932 176027049 /nfs/dbraw/zinc/02/70/49/176027049.db2.gz UZGUJVPCRKJQSH-LLVKDONJSA-N 0 3 281.287 1.837 10 5 CDBEHN CN(C[C@H]1CCN(C)C1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000071193099 176075562 /nfs/dbraw/zinc/07/55/62/176075562.db2.gz QFORHUCBJRBAKQ-JTQLQIEISA-N 0 3 292.339 1.201 10 5 CDBEHN COc1cc(C[NH2+][C@@H]2CC[C@H](OC)C2)c([N+](=O)[O-])cc1[O-] ZINC000190954799 270286695 /nfs/dbraw/zinc/28/66/95/270286695.db2.gz NSIDKQNDSBBILC-MNOVXSKESA-N 0 3 296.323 1.966 10 5 CDBEHN N[C@H]1CCCn2c(=O)c3cc([N+](=O)[O-])ccc3nc21 ZINC000072266463 274962833 /nfs/dbraw/zinc/96/28/33/274962833.db2.gz ATNAILKDTSNATG-VIFPVBQESA-N 0 3 260.253 1.098 10 5 CDBEHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(CC2=CCCCC2)CC1 ZINC001687428565 1160738063 /nfs/dbraw/zinc/73/80/63/1160738063.db2.gz FVTJXLZRZTYLHM-ZIAGYGMSSA-N 0 3 293.367 1.296 10 5 CDBEHN CC(C)N[C@H](CCOc1ccc([N+](=O)[O-])cc1F)C(N)=O ZINC000062540932 519738606 /nfs/dbraw/zinc/73/86/06/519738606.db2.gz RZHLPNIMSBAJAA-LLVKDONJSA-N 0 3 299.302 1.355 10 5 CDBEHN CCCN[C@@H](CCOc1ccc(F)cc1[N+](=O)[O-])C(N)=O ZINC000062595928 520004548 /nfs/dbraw/zinc/00/45/48/520004548.db2.gz YPXZLSMAWMCWTG-JTQLQIEISA-N 0 3 299.302 1.356 10 5 CDBEHN CCN[C@@](C)(C[C@H](C)Oc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000068650873 520147893 /nfs/dbraw/zinc/14/78/93/520147893.db2.gz FUXHKHFXYZTDON-HZMBPMFUSA-N 0 3 295.339 1.606 10 5 CDBEHN COCCN(C)CCNc1ccc([N+](=O)[O-])cc1C ZINC000061379779 523616452 /nfs/dbraw/zinc/61/64/52/523616452.db2.gz FLKMNCVQFRHZCT-UHFFFAOYSA-N 0 3 267.329 1.893 10 5 CDBEHN CC(COC(=O)[C@@H]1CSCCS1)[N+](=O)[O-] ZINC000813113990 617347671 /nfs/dbraw/zinc/34/76/71/617347671.db2.gz KTDCDUQFDLFTGZ-RQJHMYQMSA-N 0 3 251.329 1.043 10 5 CDBEHN C[C@@H]1[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CCN1C ZINC000928430035 619002034 /nfs/dbraw/zinc/00/20/34/619002034.db2.gz FGRWXUCPBLOONR-BXKDBHETSA-N 0 3 295.314 1.485 10 5 CDBEHN CC[C@H](CNCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000895120383 619314723 /nfs/dbraw/zinc/31/47/23/619314723.db2.gz OCSMAGGHLBXWFK-SNVBAGLBSA-N 0 3 266.297 1.884 10 5 CDBEHN C[C@@H]1[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000905649091 626899008 /nfs/dbraw/zinc/89/90/08/626899008.db2.gz MDLOGKLPIDFPQN-BXKDBHETSA-N 0 3 294.380 1.974 10 5 CDBEHN CC(COC(=O)Cc1ccc(F)c(F)c1)[N+](=O)[O-] ZINC000813115780 782348948 /nfs/dbraw/zinc/34/89/48/782348948.db2.gz ZLTWTLRHHVSBSC-ZETCQYMHSA-N 0 3 259.208 1.716 10 5 CDBEHN COC(=O)CC1(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000844385431 781337060 /nfs/dbraw/zinc/33/70/60/781337060.db2.gz IZFVVOURUGQQIX-GFCCVEGCSA-N 0 3 294.307 1.314 10 5 CDBEHN CCOC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111902 781867005 /nfs/dbraw/zinc/86/70/05/781867005.db2.gz LGUUWQRXVYMWJC-VIFPVBQESA-N 0 3 281.264 1.685 10 5 CDBEHN Cn1nccc1[C@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000922972728 923411617 /nfs/dbraw/zinc/41/16/17/923411617.db2.gz KFWFBPLSGGKZPP-CYBMUJFWSA-N 0 3 276.296 1.152 10 5 CDBEHN CN(CCO[C@@H]1CCOC1)CCc1cccc([N+](=O)[O-])c1 ZINC000930354376 933366113 /nfs/dbraw/zinc/36/61/13/933366113.db2.gz OZEHLAXXEASPGA-OAHLLOKOSA-N 0 3 294.351 1.875 10 5 CDBEHN O=[N+]([O-])c1cc(F)cnc1NC[C@H]1CCCN1CCCO ZINC000601170703 342485885 /nfs/dbraw/zinc/48/58/85/342485885.db2.gz VDWCSXIKRAZORG-LLVKDONJSA-N 0 3 298.318 1.388 10 5 CDBEHN CN1C[C@@H]2CCN(Cc3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590012533 342519927 /nfs/dbraw/zinc/51/99/27/342519927.db2.gz UPAVHLWEUPJUED-IINYFYTJSA-N 0 3 279.315 1.870 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590045838 342520732 /nfs/dbraw/zinc/52/07/32/342520732.db2.gz XWGPRRDQEALXGS-TZMCWYRMSA-N 0 3 289.335 1.300 10 5 CDBEHN CN1C[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590045743 342520779 /nfs/dbraw/zinc/52/07/79/342520779.db2.gz UITJIDIUNFIECH-WCQYABFASA-N 0 3 275.308 1.371 10 5 CDBEHN O=[N+]([O-])c1ccccc1CCNC[C@H](O)C(F)(F)F ZINC000236530332 342054730 /nfs/dbraw/zinc/05/47/30/342054730.db2.gz OIKDUXOIOHWDJI-JTQLQIEISA-N 0 3 278.230 1.650 10 5 CDBEHN CN(C)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cn1 ZINC000268207105 282118916 /nfs/dbraw/zinc/11/89/16/282118916.db2.gz SIZNHDKDFFSOKO-NSHDSACASA-N 0 3 250.302 1.520 10 5 CDBEHN NC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000401720359 342633695 /nfs/dbraw/zinc/63/36/95/342633695.db2.gz IXHZXJGMTMUPGF-SECBINFHSA-N 0 3 291.229 1.143 10 5 CDBEHN CN1CCC[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593455029 342802426 /nfs/dbraw/zinc/80/24/26/342802426.db2.gz GDPCXRVXTPBGOU-GFCCVEGCSA-N 0 3 295.314 1.487 10 5 CDBEHN Cc1nn(C[C@H]2CNCCO2)c2ccc([N+](=O)[O-])cc12 ZINC000594699510 342944081 /nfs/dbraw/zinc/94/40/81/342944081.db2.gz XIDVKWQLPBEEHM-LLVKDONJSA-N 0 3 276.296 1.241 10 5 CDBEHN C[C@@H](NC[C@@]1(O)CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000595424165 343056163 /nfs/dbraw/zinc/05/61/63/343056163.db2.gz OKXRSWSCDSIFEW-RISCZKNCSA-N 0 3 280.324 1.787 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](CO)C1CCC1 ZINC000595616859 343110127 /nfs/dbraw/zinc/11/01/27/343110127.db2.gz OLQUPNWAXNRKFD-ZDUSSCGKSA-N 0 3 280.324 1.854 10 5 CDBEHN O=[N+]([O-])c1cnc(N2CCC(N3CC[C@@H](O)C3)CC2)s1 ZINC000596537133 343345245 /nfs/dbraw/zinc/34/52/45/343345245.db2.gz BEIHCQBNFOOEEJ-SNVBAGLBSA-N 0 3 298.368 1.087 10 5 CDBEHN O=[N+]([O-])c1ccc(CN2CCC([N+](=O)[O-])C2)cc1 ZINC000016083170 365758454 /nfs/dbraw/zinc/75/84/54/365758454.db2.gz FGYNZSNZHVWHDL-LLVKDONJSA-N 0 3 251.242 1.446 10 5 CDBEHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000597857655 343648065 /nfs/dbraw/zinc/64/80/65/343648065.db2.gz HWRJCDLEDBIJLG-JTQLQIEISA-N 0 3 292.339 1.592 10 5 CDBEHN CCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000597945605 343675276 /nfs/dbraw/zinc/67/52/76/343675276.db2.gz JOAMXMWSODMRPD-ZDUSSCGKSA-N 0 3 277.324 1.761 10 5 CDBEHN CC[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000598531620 343826680 /nfs/dbraw/zinc/82/66/80/343826680.db2.gz MTEGCSZVWQANBE-WCQYABFASA-N 0 3 291.351 1.736 10 5 CDBEHN CC(C)(N)c1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603224542 344738180 /nfs/dbraw/zinc/73/81/80/344738180.db2.gz PYNBHZHCCGLKTQ-UHFFFAOYSA-N 0 3 279.275 1.568 10 5 CDBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366401521 363338592 /nfs/dbraw/zinc/33/85/92/363338592.db2.gz LCNBDYVIVLOXIW-OLRMPSLUSA-N 0 3 262.309 1.826 10 5 CDBEHN O=[N+]([O-])c1cccc(CN[C@H]2CCC[C@H](O)C2)c1 ZINC000037163589 363530764 /nfs/dbraw/zinc/53/07/64/363530764.db2.gz PMCZAPYCGNIXCP-AAEUAGOBSA-N 0 3 250.298 1.988 10 5 CDBEHN C[C@H](N[C@H]1CCC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000084062946 357440363 /nfs/dbraw/zinc/44/03/63/357440363.db2.gz BQMWRMCUAUCEHW-JQWIXIFHSA-N 0 3 277.324 1.866 10 5 CDBEHN CC1(C)[C@@H](O)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000361417205 358182529 /nfs/dbraw/zinc/18/25/29/358182529.db2.gz VTMYDYXLZWXYOY-ZDUSSCGKSA-N 0 3 280.324 1.819 10 5 CDBEHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000341071943 366442281 /nfs/dbraw/zinc/44/22/81/366442281.db2.gz SPXYDAOUMHCQGX-PHIMTYICSA-N 0 3 294.355 1.916 10 5 CDBEHN COC[C@@]1(CO)CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000451922177 360314089 /nfs/dbraw/zinc/31/40/89/360314089.db2.gz DYWNSQZOGZLGHG-WFASDCNBSA-N 0 3 294.351 1.987 10 5 CDBEHN C[C@@H](CO)[C@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000272355196 367694320 /nfs/dbraw/zinc/69/43/20/367694320.db2.gz DSBSFKQESCZOEQ-IUCAKERBSA-N 0 3 256.277 1.840 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)[C@H](C)CO ZINC000295713096 370582899 /nfs/dbraw/zinc/58/28/99/370582899.db2.gz KIDKODDOXFWRDG-GHMZBOCLSA-N 0 3 295.339 1.448 10 5 CDBEHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)N1CCCC1 ZINC000531898139 374515518 /nfs/dbraw/zinc/51/55/18/374515518.db2.gz RWZBDWFPKWNZJC-SNVBAGLBSA-N 0 3 278.312 1.204 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000171108281 376143377 /nfs/dbraw/zinc/14/33/77/376143377.db2.gz IXDHHKVHSIIOFZ-SECBINFHSA-N 0 3 292.339 1.511 10 5 CDBEHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000282521051 195634407 /nfs/dbraw/zinc/63/44/07/195634407.db2.gz YFATYBPTYSNAJG-HOSYDEDBSA-N 0 3 277.324 1.913 10 5 CDBEHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])cn2)CCC1 ZINC000527362741 390876243 /nfs/dbraw/zinc/87/62/43/390876243.db2.gz NDFWNZFHPKCXLP-UHFFFAOYSA-N 0 3 278.312 1.204 10 5 CDBEHN CN1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)[C@H]2C1 ZINC000408146799 391425204 /nfs/dbraw/zinc/42/52/04/391425204.db2.gz VHJOBKMISZHFQC-CABZTGNLSA-N 0 3 278.312 1.089 10 5 CDBEHN N[C@@H]1CC(=O)N(c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000043493291 175057561 /nfs/dbraw/zinc/05/75/61/175057561.db2.gz UWAFVGLWGYKQAD-ZCFIWIBFSA-N 0 3 255.661 1.312 10 5 CDBEHN CCCNCC(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000044288154 175159743 /nfs/dbraw/zinc/15/97/43/175159743.db2.gz DTEALPLJONERKP-UHFFFAOYSA-N 0 3 255.249 1.672 10 5 CDBEHN CN1CCCC[C@H]1CNc1ccncc1[N+](=O)[O-] ZINC000044563040 175207066 /nfs/dbraw/zinc/20/70/66/175207066.db2.gz QGYBIHGALHKADB-JTQLQIEISA-N 0 3 250.302 1.886 10 5 CDBEHN CCN[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000071031142 176022520 /nfs/dbraw/zinc/02/25/20/176022520.db2.gz BOZBHSUFHGQIKQ-ZDUSSCGKSA-N 0 3 277.324 1.348 10 5 CDBEHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)CCN1C ZINC000525029524 281114989 /nfs/dbraw/zinc/11/49/89/281114989.db2.gz HEPLYJAIFZNUNL-MNOVXSKESA-N 0 3 294.355 1.488 10 5 CDBEHN COC[C@@H](C)CNCc1cc([N+](=O)[O-])ccc1OC ZINC000045696626 522202767 /nfs/dbraw/zinc/20/27/67/522202767.db2.gz HADOLXSXJJUTPO-JTQLQIEISA-N 0 3 268.313 1.976 10 5 CDBEHN CC(C)N(CCO)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050817913 519649357 /nfs/dbraw/zinc/64/93/57/519649357.db2.gz VWYZEHRPDXRRQX-UHFFFAOYSA-N 0 3 253.302 1.380 10 5 CDBEHN CC(C)n1cc([N+](=O)[O-])cc1C(=O)N1[C@@H](C)CNC[C@@H]1C ZINC000069132894 519983574 /nfs/dbraw/zinc/98/35/74/519983574.db2.gz XSCXQSLHSFSTQN-QWRGUYRKSA-N 0 3 294.355 1.800 10 5 CDBEHN CCNCc1cc([N+](=O)[O-])ccc1O[C@@H](CC)C(N)=O ZINC000061675902 519993435 /nfs/dbraw/zinc/99/34/35/519993435.db2.gz POUWHBUQTBDLRC-NSHDSACASA-N 0 3 281.312 1.347 10 5 CDBEHN CCC(CC)NC(=O)COc1ccc(CN)cc1[N+](=O)[O-] ZINC000049285205 521576325 /nfs/dbraw/zinc/57/63/25/521576325.db2.gz UHEOHDHXJLQALF-UHFFFAOYSA-N 0 3 295.339 1.737 10 5 CDBEHN CC[C@H](N)C(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000050439880 522327760 /nfs/dbraw/zinc/32/77/60/522327760.db2.gz AZDDEFHRHLZMLY-VIFPVBQESA-N 0 3 251.286 1.887 10 5 CDBEHN CN[C@](C)(CCOc1c(C)cc(C)cc1[N+](=O)[O-])C(N)=O ZINC000050442065 522516567 /nfs/dbraw/zinc/51/65/67/522516567.db2.gz FAFYSTOYROASNW-CQSZACIVSA-N 0 3 295.339 1.444 10 5 CDBEHN COC[C@](C)(CCO)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000085903645 522880347 /nfs/dbraw/zinc/88/03/47/522880347.db2.gz DIIWLEKHEJGNHA-AWEZNQCLSA-N 0 3 298.339 1.351 10 5 CDBEHN CNC(=O)COc1ccc([N+](=O)[O-])cc1CNCC(C)C ZINC000062732052 524075024 /nfs/dbraw/zinc/07/50/24/524075024.db2.gz BVJBRLAFYUDFBZ-UHFFFAOYSA-N 0 3 295.339 1.465 10 5 CDBEHN C[C@@H](CN1CCCC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000049184080 524594918 /nfs/dbraw/zinc/59/49/18/524594918.db2.gz OYBLPAKRVFFSOW-VIFPVBQESA-N 0 3 251.290 1.281 10 5 CDBEHN Cc1c(C(=O)N2[C@@H](C)CNC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000069132818 525600167 /nfs/dbraw/zinc/60/01/67/525600167.db2.gz NEBGWDNJBIXJJE-UWVGGRQHSA-N 0 3 277.324 1.726 10 5 CDBEHN NN=c1nc(Cn2cc([N+](=O)[O-])cn2)[nH]c2sccc21 ZINC000051147511 527285482 /nfs/dbraw/zinc/28/54/82/527285482.db2.gz KOUGKOUAPJGTTQ-UHFFFAOYSA-N 0 3 291.296 1.130 10 5 CDBEHN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000760896582 576522530 /nfs/dbraw/zinc/52/25/30/576522530.db2.gz OINCEECHDYCYON-ZIAGYGMSSA-N 0 3 280.324 1.739 10 5 CDBEHN C[C@@H]1[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CCN1C ZINC000928442770 619087832 /nfs/dbraw/zinc/08/78/32/619087832.db2.gz BYIMTICVFROBNK-MNOVXSKESA-N 0 3 292.339 1.216 10 5 CDBEHN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)n1 ZINC001636274608 1166665890 /nfs/dbraw/zinc/66/58/90/1166665890.db2.gz LPCGEZFQERUCMS-MFKMUULPSA-N 0 3 290.323 1.074 10 5 CDBEHN Cn1cc([N+](=O)[O-])c(NCCN2CCCCCC2)n1 ZINC000231667693 1178173944 /nfs/dbraw/zinc/17/39/44/1178173944.db2.gz HDVAEWQSYIEEPT-UHFFFAOYSA-N 0 3 267.333 1.616 10 5 CDBEHN CCC(=O)N(C)CCCNCc1ccccc1[N+](=O)[O-] ZINC001733079822 1183278566 /nfs/dbraw/zinc/27/85/66/1183278566.db2.gz NIIGFAQPHOAYAP-UHFFFAOYSA-N 0 3 279.340 1.943 10 5 CDBEHN CC(COC(=O)c1ncsc1C(F)(F)F)[N+](=O)[O-] ZINC000813112243 1163815420 /nfs/dbraw/zinc/81/54/20/1163815420.db2.gz DOPRYRYLRVGBAX-SCSAIBSYSA-N 0 3 284.215 1.984 10 5 CDBEHN CC(C)c1nnc(CCC(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813107645 1163814607 /nfs/dbraw/zinc/81/46/07/1163814607.db2.gz PTGFVLKDSWCOSP-MRVPVSSYSA-N 0 3 271.273 1.334 10 5 CDBEHN CCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C)n2)C1 ZINC001642185844 1167158440 /nfs/dbraw/zinc/15/84/40/1167158440.db2.gz BBCHSXRKHDBJJF-LLVKDONJSA-N 0 3 292.339 1.512 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN1C[C@H](CO)[C@H](CCO)C1 ZINC001648634438 1169145437 /nfs/dbraw/zinc/14/54/37/1169145437.db2.gz FWWOLTUROBPTOP-DGCLKSJQSA-N 0 3 280.324 1.018 10 5 CDBEHN O=C1CC[C@@H](CNCc2ccc([N+](=O)[O-])c(Cl)c2)N1 ZINC000827371387 936589515 /nfs/dbraw/zinc/58/95/15/936589515.db2.gz SYWZNSMSMVMFCE-VIFPVBQESA-N 0 3 283.715 1.616 10 5 CDBEHN CCCc1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000797283424 937326707 /nfs/dbraw/zinc/32/67/07/937326707.db2.gz WRZPCURGIIWGHT-ZETCQYMHSA-N 0 3 256.258 1.758 10 5 CDBEHN CC[S@](=O)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000134732835 930576138 /nfs/dbraw/zinc/57/61/38/930576138.db2.gz PZLBJBQNCWVEBY-GOSISDBHSA-N 0 3 270.354 1.761 10 5 CDBEHN CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CN2CCC1CC2 ZINC000823256696 931277875 /nfs/dbraw/zinc/27/78/75/931277875.db2.gz MHHIMULAKIUDEB-GFCCVEGCSA-N 0 3 283.372 1.375 10 5 CDBEHN Cc1ccnc(N[C@@H]2CCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000719623758 934856539 /nfs/dbraw/zinc/85/65/39/934856539.db2.gz JLZHEBMDNKRWKW-NXEZZACHSA-N 0 3 250.302 1.803 10 5 CDBEHN Cn1ncc([N+](=O)[O-])c1N1CCN[C@H](c2ccccc2)C1 ZINC001164190756 939428023 /nfs/dbraw/zinc/42/80/23/939428023.db2.gz LOKDRQTUVVICGI-LBPRGKRZSA-N 0 3 287.323 1.479 10 5 CDBEHN Cc1ccc(N2CCN3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000405204953 940974234 /nfs/dbraw/zinc/97/42/34/940974234.db2.gz FOSANAYPUVCIRH-NWDGAFQWSA-N 0 3 277.324 1.158 10 5 CDBEHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCOCCCO ZINC001346504491 965146788 /nfs/dbraw/zinc/14/67/88/965146788.db2.gz KFDAIVLIJXEPTH-ZDUSSCGKSA-N 0 3 280.324 1.571 10 5 CDBEHN CN(C)CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601098968 342463867 /nfs/dbraw/zinc/46/38/67/342463867.db2.gz MDXKAXQKGLRTGT-UHFFFAOYSA-N 0 3 281.238 1.321 10 5 CDBEHN Cc1nn(C)c(N[C@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000265113043 361960108 /nfs/dbraw/zinc/96/01/08/361960108.db2.gz HWMNGLAMMZFCFR-JTQLQIEISA-N 0 3 267.333 1.531 10 5 CDBEHN C[C@H](NC[C@@H](O)CC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000599350508 344016371 /nfs/dbraw/zinc/01/63/71/344016371.db2.gz RIZREUPMYDYRGT-FZMZJTMJSA-N 0 3 294.351 1.911 10 5 CDBEHN COC[C@@H](CCNCc1ccc(OC)c([N+](=O)[O-])c1)OC ZINC000594955631 342982938 /nfs/dbraw/zinc/98/29/38/342982938.db2.gz QJNOMWDDLBDZLG-GFCCVEGCSA-N 0 3 298.339 1.745 10 5 CDBEHN CN1CCC[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000091483003 342404436 /nfs/dbraw/zinc/40/44/36/342404436.db2.gz AUANSRNHRGAYDF-JTQLQIEISA-N 0 3 290.327 1.391 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CN(C)C[C@@H]1C ZINC000344219223 362557223 /nfs/dbraw/zinc/55/72/23/362557223.db2.gz NTIVUBAOMQJBSH-GXFFZTMASA-N 0 3 279.340 1.643 10 5 CDBEHN COc1cc(N2CCCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000107040019 186156320 /nfs/dbraw/zinc/15/63/20/186156320.db2.gz AQAUQCPHOJZHIB-UHFFFAOYSA-N 0 3 295.339 1.108 10 5 CDBEHN COC(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000273497748 192175161 /nfs/dbraw/zinc/17/51/61/192175161.db2.gz YDAJEVCHOXFVAE-LBPRGKRZSA-N 0 3 278.308 1.898 10 5 CDBEHN O=[N+]([O-])c1ccc(NCCCNCc2cccnc2)cn1 ZINC000063197237 363397542 /nfs/dbraw/zinc/39/75/42/363397542.db2.gz YGFTUMPJRCDJTL-UHFFFAOYSA-N 0 3 287.323 1.977 10 5 CDBEHN CN1CC[C@@H]2OCCN(c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284484004 283090859 /nfs/dbraw/zinc/09/08/59/283090859.db2.gz GTVYMOLBOGKIGO-KGLIPLIRSA-N 0 3 295.314 1.643 10 5 CDBEHN O=[N+]([O-])c1ccc(NC[C@H](O)CN2CCCCC2)nc1 ZINC000048976607 357791006 /nfs/dbraw/zinc/79/10/06/357791006.db2.gz XPGPJCYROKAJEI-LBPRGKRZSA-N 0 3 280.328 1.249 10 5 CDBEHN COC[C@@H](CN[C@H](C)c1ccccc1[N+](=O)[O-])OC ZINC000227691080 360532370 /nfs/dbraw/zinc/53/23/70/360532370.db2.gz YZRCOBWAVIAJCE-GHMZBOCLSA-N 0 3 268.313 1.907 10 5 CDBEHN CC1(C)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090525749 367568647 /nfs/dbraw/zinc/56/86/47/367568647.db2.gz ADUQCFIZWWQMMP-UHFFFAOYSA-N 0 3 265.313 1.631 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000139753656 370978489 /nfs/dbraw/zinc/97/84/89/370978489.db2.gz DMMUKHQTESOLCB-ZDUSSCGKSA-N 0 3 292.339 1.488 10 5 CDBEHN CN(CCCCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000276418561 193323482 /nfs/dbraw/zinc/32/34/82/193323482.db2.gz QMAMUPDNDOVJNZ-UHFFFAOYSA-N 0 3 268.313 1.678 10 5 CDBEHN Cc1c(CN(CCO)[C@@H]2CCO[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331164388 374898154 /nfs/dbraw/zinc/89/81/54/374898154.db2.gz LVQVNGUBHXODLG-IUODEOHRSA-N 0 3 294.351 1.875 10 5 CDBEHN CN(c1ncccc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000354078961 375673418 /nfs/dbraw/zinc/67/34/18/375673418.db2.gz ARYQGFVOXXVOIE-LLVKDONJSA-N 0 3 262.313 1.663 10 5 CDBEHN C[C@@H]1CN(CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000450469783 251299575 /nfs/dbraw/zinc/29/95/75/251299575.db2.gz RWGZJQFTCBKWCD-LLVKDONJSA-N 0 3 294.355 1.271 10 5 CDBEHN CCN1C(=O)CC[C@H](N)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000070985721 184574587 /nfs/dbraw/zinc/57/45/87/184574587.db2.gz QJXLEZMDKGPIDN-GWCFXTLKSA-N 0 3 263.297 1.606 10 5 CDBEHN COC(=O)CC1(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000567996453 391563132 /nfs/dbraw/zinc/56/31/32/391563132.db2.gz LDMWTRKGSCBVKB-UHFFFAOYSA-N 0 3 264.281 1.780 10 5 CDBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](CN(C)C)C1 ZINC000247232444 131102815 /nfs/dbraw/zinc/10/28/15/131102815.db2.gz RIISTGRBMVWVRG-WFASDCNBSA-N 0 3 293.367 1.918 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000262772047 149112683 /nfs/dbraw/zinc/11/26/83/149112683.db2.gz KALZOWBWXSZPQO-WPRPVWTQSA-N 0 3 278.312 1.121 10 5 CDBEHN CO[C@H]1CN[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000040633273 174359682 /nfs/dbraw/zinc/35/96/82/174359682.db2.gz KQRACUWHGAAWMW-MWLCHTKSSA-N 0 3 279.296 1.219 10 5 CDBEHN CN[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300212 175000842 /nfs/dbraw/zinc/00/08/42/175000842.db2.gz NUNRKESZPMSGRI-CMPLNLGQSA-N 0 3 284.337 1.290 10 5 CDBEHN CSCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000043474424 175054068 /nfs/dbraw/zinc/05/40/68/175054068.db2.gz WYFKFDNEEJBING-VIFPVBQESA-N 0 3 287.316 1.753 10 5 CDBEHN N[C@H]1CCC(=O)N(C2CC2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000070987338 176018550 /nfs/dbraw/zinc/01/85/50/176018550.db2.gz VIFATXYOIDMBMP-FZMZJTMJSA-N 0 3 275.308 1.748 10 5 CDBEHN CC(C)N[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000071038931 176027014 /nfs/dbraw/zinc/02/70/14/176027014.db2.gz HIPXRBIBTXBUHD-GFCCVEGCSA-N 0 3 263.297 1.698 10 5 CDBEHN O=C1[C@H](NC2CC2)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000071038937 176027432 /nfs/dbraw/zinc/02/74/32/176027432.db2.gz XPVXXHPXHDYXCW-GFCCVEGCSA-N 0 3 261.281 1.452 10 5 CDBEHN CN(C[C@@H]1CCN(C)C1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000071189326 176065055 /nfs/dbraw/zinc/06/50/55/176065055.db2.gz DFEWXZDSARUYIV-SNVBAGLBSA-N 0 3 295.314 1.758 10 5 CDBEHN CCCNCc1cc([N+](=O)[O-])ccc1OC[C@H](O)COC ZINC000069053614 519947893 /nfs/dbraw/zinc/94/78/93/519947893.db2.gz ZDEQWXUPUJVXOM-CYBMUJFWSA-N 0 3 298.339 1.481 10 5 CDBEHN COC(=O)C[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000052926355 523266406 /nfs/dbraw/zinc/26/64/06/523266406.db2.gz MNBNBGDQDHTFEB-SECBINFHSA-N 0 3 252.270 1.636 10 5 CDBEHN C[C@@H](CN1CCCC1)NC(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050709757 524590711 /nfs/dbraw/zinc/59/07/11/524590711.db2.gz OONORGAUFAGSBJ-JTQLQIEISA-N 0 3 292.339 1.391 10 5 CDBEHN C[C@@H](C[C@](C)(N)C(N)=O)Oc1ccc([N+](=O)[O-])cc1F ZINC000068651441 524859776 /nfs/dbraw/zinc/85/97/76/524859776.db2.gz JZPXNITWHSOQKL-MADCSZMMSA-N 0 3 285.275 1.094 10 5 CDBEHN N=C(N)c1cc(COc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000068762601 526818975 /nfs/dbraw/zinc/81/89/75/526818975.db2.gz AZHYCFOHLLWSHC-UHFFFAOYSA-N 0 3 272.264 1.853 10 5 CDBEHN NCc1ccc([N+](=O)[O-])c(OC[C@@H]2CCCO2)c1 ZINC000050516547 527257286 /nfs/dbraw/zinc/25/72/86/527257286.db2.gz JNTGWEGTNZXFOK-JTQLQIEISA-N 0 3 252.270 1.611 10 5 CDBEHN Cn1cccc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000746415299 576775271 /nfs/dbraw/zinc/77/52/71/576775271.db2.gz NOFWORDGVDJSRA-AWEZNQCLSA-N 0 3 275.308 1.757 10 5 CDBEHN CC(COC(=O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C)[N+](=O)[O-] ZINC000813110852 617346170 /nfs/dbraw/zinc/34/61/70/617346170.db2.gz KSRWDSGDINEEBV-BBBLOLIVSA-N 0 3 271.313 1.836 10 5 CDBEHN Cc1noc(C2CC2)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112330 617347013 /nfs/dbraw/zinc/34/70/13/617347013.db2.gz FJFLGZMSPXUYNH-LURJTMIESA-N 0 3 254.242 1.682 10 5 CDBEHN CC(COC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813112401 1163816216 /nfs/dbraw/zinc/81/62/16/1163816216.db2.gz PULMIHRZDPCMRJ-DTWKUNHWSA-N 0 3 282.252 1.907 10 5 CDBEHN CC(C)C(=O)N1CCCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110229 1163816492 /nfs/dbraw/zinc/81/64/92/1163816492.db2.gz VFIICUKIOVHMHN-QWRGUYRKSA-N 0 3 286.328 1.232 10 5 CDBEHN Cn1cc([N+](=O)[O-])c(NC[C@H]2CCCCN2C2CC2)n1 ZINC001639883745 1166973565 /nfs/dbraw/zinc/97/35/65/1166973565.db2.gz XYHXUEMDBJGCOV-LLVKDONJSA-N 0 3 279.344 1.757 10 5 CDBEHN CC(COC(=O)[C@@H]1CCC(=O)c2cccn21)[N+](=O)[O-] ZINC000813106626 1163814957 /nfs/dbraw/zinc/81/49/57/1163814957.db2.gz FVXRVYXMRSSYRX-SCZZXKLOSA-N 0 3 266.253 1.214 10 5 CDBEHN CC(COC(=O)c1ccc(Cn2cccn2)cc1)[N+](=O)[O-] ZINC000813105265 783998482 /nfs/dbraw/zinc/99/84/82/783998482.db2.gz LHAHFMIWNZCLJE-NSHDSACASA-N 0 3 289.291 1.753 10 5 CDBEHN CC(=O)[C@@](C)(O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177592 784889391 /nfs/dbraw/zinc/88/93/91/784889391.db2.gz COLBNGXEUIKEJX-RNCFNFMXSA-N 0 3 266.297 1.585 10 5 CDBEHN Cc1cccnc1/C=C\C(=O)OCC(C)[N+](=O)[O-] ZINC000813109362 784917964 /nfs/dbraw/zinc/91/79/64/784917964.db2.gz JCLUSZJNWADHSP-OMMCCPJFSA-N 0 3 250.254 1.612 10 5 CDBEHN COc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1OC ZINC000813109534 785064398 /nfs/dbraw/zinc/06/43/98/785064398.db2.gz KTINNPPCHDYFKS-QMMMGPOBSA-N 0 3 269.253 1.526 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928443437 786385764 /nfs/dbraw/zinc/38/57/64/786385764.db2.gz FKSOLZBPUKHZSX-ZWNOBZJWSA-N 0 3 277.324 1.726 10 5 CDBEHN CCCc1noc(CCCC(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813110355 786389946 /nfs/dbraw/zinc/38/99/46/786389946.db2.gz YMNHTHVLTYSWRD-VIFPVBQESA-N 0 3 285.300 1.553 10 5 CDBEHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])nc1Cl ZINC000813103678 786873066 /nfs/dbraw/zinc/87/30/66/786873066.db2.gz DYRDBVLGEXTEIA-LURJTMIESA-N 0 3 274.660 1.566 10 5 CDBEHN CSCc1cccnc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102251 786964952 /nfs/dbraw/zinc/96/49/52/786964952.db2.gz CPFYHCQUPRFXPZ-QMMMGPOBSA-N 0 3 270.310 1.767 10 5 CDBEHN CN1CCC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000823133417 787467389 /nfs/dbraw/zinc/46/73/89/787467389.db2.gz PFOUYGFEEJMBHR-SNVBAGLBSA-N 0 3 257.334 1.032 10 5 CDBEHN Cc1cccc(C(=O)N[C@H]2CCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000928455681 787626903 /nfs/dbraw/zinc/62/69/03/787626903.db2.gz SWBHTUIJMSQHKS-PWSUYJOCSA-N 0 3 277.324 1.726 10 5 CDBEHN CC(COC(=O)C1(c2ccc(N(C)C)cc2)CC1)[N+](=O)[O-] ZINC000816091254 788248694 /nfs/dbraw/zinc/24/86/94/788248694.db2.gz PNFZIHBURNHSEB-LLVKDONJSA-N 0 3 292.335 1.993 10 5 CDBEHN O=[N+]([O-])c1cc(Cl)c(OC[C@@H]2CNCCO2)cc1F ZINC000311609943 789720657 /nfs/dbraw/zinc/72/06/57/789720657.db2.gz QEIHGLIBVBRRKT-ZETCQYMHSA-N 0 3 290.678 1.755 10 5 CDBEHN CN1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001178704627 915597794 /nfs/dbraw/zinc/59/77/94/915597794.db2.gz ZLSOTDLPUFPTQD-ZDUSSCGKSA-N 0 3 291.351 1.594 10 5 CDBEHN CN(CCO)CCN(C)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000691356740 937215244 /nfs/dbraw/zinc/21/52/44/937215244.db2.gz RJMWPBBAOIVMMV-UHFFFAOYSA-N 0 3 287.747 1.609 10 5 CDBEHN CN1CCC[C@@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401158199 342479222 /nfs/dbraw/zinc/47/92/22/342479222.db2.gz JMLNYSOBLJWKJW-VIFPVBQESA-N 0 3 268.292 1.883 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000590446061 342546515 /nfs/dbraw/zinc/54/65/15/342546515.db2.gz QZEUPCONUKFTTN-GWCFXTLKSA-N 0 3 290.323 1.074 10 5 CDBEHN NC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000401692955 342607611 /nfs/dbraw/zinc/60/76/11/342607611.db2.gz IAVFHYIOCMCCCX-MRVPVSSYSA-N 0 3 277.202 1.214 10 5 CDBEHN CC[C@H](N[C@H]1C[C@@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000593717786 342828540 /nfs/dbraw/zinc/82/85/40/342828540.db2.gz MXGLHZHQODSAFF-LOWVWBTDSA-N 0 3 277.324 1.899 10 5 CDBEHN C[C@@H](N[C@H]1C[C@@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000593717810 342828575 /nfs/dbraw/zinc/82/85/75/342828575.db2.gz NNQFDOHLFBWEKS-IEBDPFPHSA-N 0 3 263.297 1.509 10 5 CDBEHN CO[C@H](CNCc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000594956006 342983347 /nfs/dbraw/zinc/98/33/47/342983347.db2.gz SQNJBHLCPAYZOA-GXTWGEPZSA-N 0 3 280.324 1.736 10 5 CDBEHN C[C@@H]1[C@@H](O)CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000294980064 199281197 /nfs/dbraw/zinc/28/11/97/199281197.db2.gz JQUVCFXDSDRRSQ-MFKMUULPSA-N 0 3 250.298 1.940 10 5 CDBEHN CN[C@H](C)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000136475862 342379481 /nfs/dbraw/zinc/37/94/81/342379481.db2.gz NOXZFNGFODYWQZ-SSDOTTSWSA-N 0 3 253.258 1.150 10 5 CDBEHN Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCN1C(C)(C)C ZINC000596308859 343293945 /nfs/dbraw/zinc/29/39/45/343293945.db2.gz XAFXCOUXJWMROD-SECBINFHSA-N 0 3 267.333 1.613 10 5 CDBEHN CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H](C)N1 ZINC000598531549 343826774 /nfs/dbraw/zinc/82/67/74/343826774.db2.gz KNIDOXCQYGHNAT-VHSXEESVSA-N 0 3 292.339 1.390 10 5 CDBEHN C[C@@H](C(=O)N[C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000617722344 345927185 /nfs/dbraw/zinc/92/71/85/345927185.db2.gz MMOHUUXWYRJESZ-DGCLKSJQSA-N 0 3 291.351 1.909 10 5 CDBEHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1cccnc1[N+](=O)[O-] ZINC000610709953 346368170 /nfs/dbraw/zinc/36/81/70/346368170.db2.gz QAULDDGHTILXSJ-CABZTGNLSA-N 0 3 262.313 1.884 10 5 CDBEHN O=C(N[C@H]1CCN(CC2CC2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000610772457 346404152 /nfs/dbraw/zinc/40/41/52/346404152.db2.gz DOOLKODELODRCU-NSHDSACASA-N 0 3 290.323 1.204 10 5 CDBEHN COCCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000344423383 362766960 /nfs/dbraw/zinc/76/69/60/362766960.db2.gz RNLRDAWKNJUAIQ-GFCCVEGCSA-N 0 3 280.328 1.513 10 5 CDBEHN C[C@@H](CO)[C@@H](C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000273964861 192381778 /nfs/dbraw/zinc/38/17/78/192381778.db2.gz GXESLZMPGJOFDA-VHSXEESVSA-N 0 3 281.312 1.140 10 5 CDBEHN C[C@@H](NC[C@@H](O)Cn1cccn1)c1ccccc1[N+](=O)[O-] ZINC000271758691 191309386 /nfs/dbraw/zinc/30/93/86/191309386.db2.gz OLTTZEDLTFRXNR-VXGBXAGGSA-N 0 3 290.323 1.503 10 5 CDBEHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H]2CCCN2C[C@@H]1C ZINC000578692230 356777189 /nfs/dbraw/zinc/77/71/89/356777189.db2.gz MRKUJZAENNHLOY-CMPLNLGQSA-N 0 3 293.371 1.793 10 5 CDBEHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)c2cccnc2)cc1 ZINC000342287916 358985870 /nfs/dbraw/zinc/98/58/70/358985870.db2.gz VLMGLSIBPICKHI-AWEZNQCLSA-N 0 3 287.319 1.856 10 5 CDBEHN Cc1c(CN2CCNC[C@@H]2C(F)F)cccc1[N+](=O)[O-] ZINC000569811442 359263605 /nfs/dbraw/zinc/26/36/05/359263605.db2.gz XINRPPYHOBJOIR-GFCCVEGCSA-N 0 3 285.294 1.942 10 5 CDBEHN Cc1cccc(C(=O)N2CC[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000170856354 369949601 /nfs/dbraw/zinc/94/96/01/369949601.db2.gz DWXXSMJRSHXVKQ-LLVKDONJSA-N 0 3 277.324 1.679 10 5 CDBEHN O=[N+]([O-])c1cc(CNC[C@@H]2[C@H]3COC[C@H]32)cs1 ZINC000368613235 374320050 /nfs/dbraw/zinc/32/00/50/374320050.db2.gz JLZMFSSQRSXZJG-OWUUHHOZSA-N 0 3 254.311 1.638 10 5 CDBEHN Cc1c(CN2CC[C@]3(CNC(=O)C3)C2)cccc1[N+](=O)[O-] ZINC000278781626 194152396 /nfs/dbraw/zinc/15/23/96/194152396.db2.gz DHCTZWNPEUXMON-HNNXBMFYSA-N 0 3 289.335 1.615 10 5 CDBEHN CCN[C@H]1CCC[C@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942120 177905364 /nfs/dbraw/zinc/90/53/64/177905364.db2.gz UZKUTYVOTSDZIN-QWHCGFSZSA-N 0 3 298.364 1.899 10 5 CDBEHN COCCN(CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000490073686 390892046 /nfs/dbraw/zinc/89/20/46/390892046.db2.gz RWQMVKUATSGVRB-HNNXBMFYSA-N 0 3 294.351 1.875 10 5 CDBEHN CC(C)c1n[nH]c(C(=O)NC[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000269438291 391249285 /nfs/dbraw/zinc/24/92/85/391249285.db2.gz ORSJTDMONCRLEG-VIFPVBQESA-N 0 3 295.343 1.265 10 5 CDBEHN CNC(=O)[C@H](NCCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000183671468 391292851 /nfs/dbraw/zinc/29/28/51/391292851.db2.gz JRXOVLQCHJHEDF-CYBMUJFWSA-N 0 3 279.340 1.498 10 5 CDBEHN C[C@@H]1CC(O)C[C@@H](C)N1CCn1ccc([N+](=O)[O-])n1 ZINC000191182534 130198350 /nfs/dbraw/zinc/19/83/50/130198350.db2.gz POZFDZUIHVHHPG-NXEZZACHSA-N 0 3 268.317 1.025 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1(N(C)C)CC1 ZINC000416300187 391983231 /nfs/dbraw/zinc/98/32/31/391983231.db2.gz IJORQDQSSOXVDW-UHFFFAOYSA-N 0 3 277.324 1.727 10 5 CDBEHN Cn1nccc1[C@@H](CO)NCCc1ccc([N+](=O)[O-])cc1 ZINC000459747915 392503069 /nfs/dbraw/zinc/50/30/69/392503069.db2.gz IPUGAQUIEFCBEJ-CYBMUJFWSA-N 0 3 290.323 1.194 10 5 CDBEHN CNC(=O)[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000420971889 392922627 /nfs/dbraw/zinc/92/26/27/392922627.db2.gz ITNLRZWFCKNYKE-GFCCVEGCSA-N 0 3 277.324 1.471 10 5 CDBEHN COCCN1CCCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268533700 132023315 /nfs/dbraw/zinc/02/33/15/132023315.db2.gz XWLBYBANYWZRMJ-UHFFFAOYSA-N 0 3 294.355 1.457 10 5 CDBEHN O=[N+]([O-])c1cccc(CN2CC[C@@H](c3nnc[nH]3)C2)c1 ZINC000425353376 393020297 /nfs/dbraw/zinc/02/02/97/393020297.db2.gz IUXUVVNKDXZSRY-LLVKDONJSA-N 0 3 273.296 1.702 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(N2CCO[C@@H]3CCN(C)C[C@@H]32)c1 ZINC000284470061 292287663 /nfs/dbraw/zinc/28/76/63/292287663.db2.gz FTEZHIUPZZIAAT-LSDHHAIUSA-N 0 3 291.351 1.813 10 5 CDBEHN CC(C)[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000040459931 174269831 /nfs/dbraw/zinc/26/98/31/174269831.db2.gz SYDOPXJRLRPFMF-JTQLQIEISA-N 0 3 255.249 1.656 10 5 CDBEHN CN1CCC[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000040673442 174372297 /nfs/dbraw/zinc/37/22/97/174372297.db2.gz BRQRWDKXEIIDEM-MRVPVSSYSA-N 0 3 281.341 1.810 10 5 CDBEHN CC(C)[C@H](CN(C)C)Nc1cc([N+](=O)[O-])ccn1 ZINC000043568134 175067278 /nfs/dbraw/zinc/06/72/78/175067278.db2.gz JVZRVINWQXQGHJ-NSHDSACASA-N 0 3 252.318 1.988 10 5 CDBEHN CCNCc1cc([N+](=O)[O-])ccc1O[C@@H](C)C(=O)OC ZINC000043625112 175081457 /nfs/dbraw/zinc/08/14/57/175081457.db2.gz SIWPCHIYZIWCTL-VIFPVBQESA-N 0 3 282.296 1.645 10 5 CDBEHN CCN[C@@H]1CCN(c2cc([N+](=O)[O-])ccc2OC)C1=O ZINC000071038647 176027282 /nfs/dbraw/zinc/02/72/82/176027282.db2.gz OTTLPMAXBJSKRI-SNVBAGLBSA-N 0 3 279.296 1.318 10 5 CDBEHN CCNCc1cnn(Cc2ccccc2[N+](=O)[O-])c1 ZINC000054719292 520016890 /nfs/dbraw/zinc/01/68/90/520016890.db2.gz ANFKOFYHJSEAPT-UHFFFAOYSA-N 0 3 260.297 1.949 10 5 CDBEHN CN(C)C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000061656019 521863696 /nfs/dbraw/zinc/86/36/96/521863696.db2.gz LEBQSVRGGUESRJ-LLVKDONJSA-N 0 3 292.339 1.343 10 5 CDBEHN CN[C@@](C)(C[C@@H](C)Oc1ccc([N+](=O)[O-])cc1F)C(N)=O ZINC000068651454 522415859 /nfs/dbraw/zinc/41/58/59/522415859.db2.gz OFYOSEKUGUMSPG-OQPBUACISA-N 0 3 299.302 1.355 10 5 CDBEHN COCCN(C)CCNc1cccc(F)c1[N+](=O)[O-] ZINC000061379668 523615106 /nfs/dbraw/zinc/61/51/06/523615106.db2.gz WQYZXQYHMCOGCC-UHFFFAOYSA-N 0 3 271.292 1.724 10 5 CDBEHN CN1CCC[C@@H]1CCOc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050454641 523824450 /nfs/dbraw/zinc/82/44/50/523824450.db2.gz MNTVUDXUBYALBU-MRVPVSSYSA-N 0 3 286.719 1.901 10 5 CDBEHN NC(=O)CCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443498 526867340 /nfs/dbraw/zinc/86/73/40/526867340.db2.gz AYUDMSAMZJFKSD-UHFFFAOYSA-N 0 3 271.704 1.603 10 5 CDBEHN O=C1C[C@]2(CCN(Cc3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000366122498 527035015 /nfs/dbraw/zinc/03/50/15/527035015.db2.gz IIOAQAGHLNCEES-CQSZACIVSA-N 0 3 275.308 1.307 10 5 CDBEHN COc1cc(C)cnc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104937 617343193 /nfs/dbraw/zinc/34/31/93/617343193.db2.gz TUEBIPJFJRJOAY-QMMMGPOBSA-N 0 3 254.242 1.221 10 5 CDBEHN CC(COC(=O)c1cc(C(C)(C)C)nn1C)[N+](=O)[O-] ZINC000813107143 617343508 /nfs/dbraw/zinc/34/35/08/617343508.db2.gz KPEYFRWCVIVCKW-QMMMGPOBSA-N 0 3 269.301 1.540 10 5 CDBEHN CC(=O)[C@@H]1C[C@H](C(=O)OCC(C)[N+](=O)[O-])C1(C)C ZINC000813115063 617349258 /nfs/dbraw/zinc/34/92/58/617349258.db2.gz ZXKVYPXRFTWYBS-FKTZTGRPSA-N 0 3 257.286 1.446 10 5 CDBEHN O=[N+]([O-])c1ccccc1C[C@H](N[C@@H]1CNOC1)C1CC1 ZINC000925866045 617914557 /nfs/dbraw/zinc/91/45/57/617914557.db2.gz JDHBTTDMFKUIEI-OLZOCXBDSA-N 0 3 277.324 1.409 10 5 CDBEHN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@H]2CCN(C)[C@H]2C1 ZINC001651869499 1171372752 /nfs/dbraw/zinc/37/27/52/1171372752.db2.gz PRIJJBGWQASFBM-MNOVXSKESA-N 0 3 279.344 1.260 10 5 CDBEHN COc1cc(OC)cc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813106485 790413752 /nfs/dbraw/zinc/41/37/52/790413752.db2.gz DDRAAQUEZVEFFP-MRVPVSSYSA-N 0 3 269.253 1.526 10 5 CDBEHN CC(COC(=O)[C@@H](C)NC(=O)CC(C)(C)C)[N+](=O)[O-] ZINC000813104036 790630415 /nfs/dbraw/zinc/63/04/15/790630415.db2.gz WNHVFDIEKLDGTP-RKDXNWHRSA-N 0 3 274.317 1.136 10 5 CDBEHN CCc1nn(C)c(Cl)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108209 789910051 /nfs/dbraw/zinc/91/00/51/789910051.db2.gz VPLVZIXOIYDEFJ-LURJTMIESA-N 0 3 275.692 1.458 10 5 CDBEHN CC(COC(=O)Cc1ccccc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813106675 790109624 /nfs/dbraw/zinc/10/96/24/790109624.db2.gz FVBXCTOQKITFRE-MRVPVSSYSA-N 0 3 268.225 1.346 10 5 CDBEHN CCOC(=O)C1(CC(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000813112778 792382136 /nfs/dbraw/zinc/38/21/36/792382136.db2.gz LDEHCVMUYOZHET-SECBINFHSA-N 0 3 273.285 1.318 10 5 CDBEHN CCc1cccc(OCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112697 793231525 /nfs/dbraw/zinc/23/15/25/793231525.db2.gz TWGWFWWJCBIOHE-JTQLQIEISA-N 0 3 267.281 1.836 10 5 CDBEHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C)C(C)(C)CC1 ZINC000866099076 793942860 /nfs/dbraw/zinc/94/28/60/793942860.db2.gz YYUFLUVBCSQIQR-UHFFFAOYSA-N 0 3 294.355 1.490 10 5 CDBEHN C[C@@H](COC(=O)C1CCN(C2CC2)CC1)[N+](=O)[O-] ZINC000813107137 795198499 /nfs/dbraw/zinc/19/84/99/795198499.db2.gz KLJQQPYWFMFGJS-VIFPVBQESA-N 0 3 256.302 1.069 10 5 CDBEHN CC(COC(=O)COCc1ccccc1)[N+](=O)[O-] ZINC000813112667 795370167 /nfs/dbraw/zinc/37/01/67/795370167.db2.gz SMOXJMPVEDZQLL-JTQLQIEISA-N 0 3 253.254 1.412 10 5 CDBEHN CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000812879993 795873141 /nfs/dbraw/zinc/87/31/41/795873141.db2.gz YJCHOZNUTRKIPV-KBPBESRZSA-N 0 3 280.324 1.739 10 5 CDBEHN CC(COC(=O)c1cn(C)nc1C(F)F)[N+](=O)[O-] ZINC000813110044 796167336 /nfs/dbraw/zinc/16/73/36/796167336.db2.gz ZBVRSXOZKVNAGP-RXMQYKEDSA-N 0 3 263.200 1.180 10 5 CDBEHN CC(COC(=O)c1ccc(O[C@@H]2CCOC2)cc1)[N+](=O)[O-] ZINC000813102656 796308587 /nfs/dbraw/zinc/30/85/87/796308587.db2.gz IFLLZFOXKDNIJB-ZWNOBZJWSA-N 0 3 295.291 1.676 10 5 CDBEHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](CO)[C@H](CCO)C1 ZINC001198751305 925516579 /nfs/dbraw/zinc/51/65/79/925516579.db2.gz CJRQMTYBVBWIHT-UPJWGTAASA-N 0 3 294.351 1.579 10 5 CDBEHN Cc1[nH]cnc1CC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001557986436 965220789 /nfs/dbraw/zinc/22/07/89/965220789.db2.gz CUHQCTYSNQJPRY-UHFFFAOYSA-N 0 3 288.307 1.794 10 5 CDBEHN O=[N+]([O-])c1ccc(N2CC(N[C@H]3CCOC3)C2)c(Cl)c1 ZINC001458667604 969333744 /nfs/dbraw/zinc/33/37/44/969333744.db2.gz KIRDBQHALCSNML-VIFPVBQESA-N 0 3 297.742 1.815 10 5 CDBEHN Cc1cccnc1[C@@H](C)NCCn1ccc([N+](=O)[O-])n1 ZINC001656488380 1171832108 /nfs/dbraw/zinc/83/21/08/1171832108.db2.gz BUHZPRUZLBEBBN-LLVKDONJSA-N 0 3 275.312 1.846 10 5 CDBEHN CN1CCC(CC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000165728381 342495355 /nfs/dbraw/zinc/49/53/55/342495355.db2.gz YMLLFCQAMSPWDY-UHFFFAOYSA-N 0 3 291.351 1.943 10 5 CDBEHN Cc1c(NC(=O)[C@H]2CNCCOC2)cccc1[N+](=O)[O-] ZINC000591592472 342636029 /nfs/dbraw/zinc/63/60/29/342636029.db2.gz SVMKCNAAHPYFHW-JTQLQIEISA-N 0 3 279.296 1.078 10 5 CDBEHN COc1cc(CN(C)[C@@H](C)CCO)ccc1[N+](=O)[O-] ZINC000593108385 342768926 /nfs/dbraw/zinc/76/89/26/342768926.db2.gz NPVFZDJIKXCQQN-JTQLQIEISA-N 0 3 268.313 1.806 10 5 CDBEHN COc1cc(CN2CCC[C@@H]2[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000595767439 343146254 /nfs/dbraw/zinc/14/62/54/343146254.db2.gz XJBVRGXSQAFYGG-ZYHUDNBSSA-N 0 3 280.324 1.949 10 5 CDBEHN CCN1CCC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000053297494 362653475 /nfs/dbraw/zinc/65/34/75/362653475.db2.gz PIKSMSGBJJAMIC-LLVKDONJSA-N 0 3 250.302 1.886 10 5 CDBEHN CN(CCNC(=O)c1ccnc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000085684904 179115173 /nfs/dbraw/zinc/11/51/73/179115173.db2.gz YYUKWMNLBJAIRE-UHFFFAOYSA-N 0 3 298.730 1.467 10 5 CDBEHN O=[N+]([O-])c1ccc(CNC[C@H]2CCCC[C@H]2O)o1 ZINC000085963296 179204599 /nfs/dbraw/zinc/20/45/99/179204599.db2.gz HKIODWRGVLOODI-MWLCHTKSSA-N 0 3 254.286 1.829 10 5 CDBEHN CN(CCN(C)C1CC1)c1ccncc1[N+](=O)[O-] ZINC000361006277 357771203 /nfs/dbraw/zinc/77/12/03/357771203.db2.gz CEONRYUGJSGQPO-UHFFFAOYSA-N 0 3 250.302 1.520 10 5 CDBEHN Cc1cc(NC[C@@H]2CCCN2C)ncc1[N+](=O)[O-] ZINC000220204325 358044092 /nfs/dbraw/zinc/04/40/92/358044092.db2.gz XRPYIWGQNFHVON-JTQLQIEISA-N 0 3 250.302 1.804 10 5 CDBEHN CC1(C)[C@@H](O)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000361425383 358177710 /nfs/dbraw/zinc/17/77/10/358177710.db2.gz FKSQSEUKRJMLGW-ZDUSSCGKSA-N 0 3 280.324 1.819 10 5 CDBEHN O=[N+]([O-])c1ccc2nc(OC[C@@H]3CCC[NH2+]C3)[n-]c2c1 ZINC000094772358 366964919 /nfs/dbraw/zinc/96/49/19/366964919.db2.gz JXYAUEASKGGOTJ-SECBINFHSA-N 0 3 276.296 1.850 10 5 CDBEHN O=[N+]([O-])c1ccc2[n-]c(OC[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000094772358 366964922 /nfs/dbraw/zinc/96/49/22/366964922.db2.gz JXYAUEASKGGOTJ-SECBINFHSA-N 0 3 276.296 1.850 10 5 CDBEHN Cc1sc(C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000026259533 369770936 /nfs/dbraw/zinc/77/09/36/369770936.db2.gz STAICVYVVDGMGK-UHFFFAOYSA-N 0 3 257.315 1.256 10 5 CDBEHN COC(=O)c1cnc(NC[C@@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000276608708 193399553 /nfs/dbraw/zinc/39/95/53/193399553.db2.gz SHHTYNKTQVXDNO-JTQLQIEISA-N 0 3 294.311 1.283 10 5 CDBEHN CN(C)[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000170862875 369983095 /nfs/dbraw/zinc/98/30/95/369983095.db2.gz ZSZBQQBJCLJDBI-CYBMUJFWSA-N 0 3 277.324 1.300 10 5 CDBEHN COCCN1CCC[C@@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000301297658 373504910 /nfs/dbraw/zinc/50/49/10/373504910.db2.gz SVSVEZPYOHDGGT-LLVKDONJSA-N 0 3 297.359 1.159 10 5 CDBEHN CSC[C@@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000275148029 374689916 /nfs/dbraw/zinc/68/99/16/374689916.db2.gz GBICEIIJZDOTSY-ZJUUUORDSA-N 0 3 270.354 1.969 10 5 CDBEHN C[C@H]1NC(=O)CC[C@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000282478751 375088438 /nfs/dbraw/zinc/08/84/38/375088438.db2.gz LKURJDGFFMBCLK-LDYMZIIASA-N 0 3 281.287 1.491 10 5 CDBEHN C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CCN1CC(C)(C)O ZINC000443985712 250070161 /nfs/dbraw/zinc/07/01/61/250070161.db2.gz IHWDOXOTTSBJAH-LLVKDONJSA-N 0 3 294.355 1.271 10 5 CDBEHN Cc1nc(N2CCN3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000245773437 379327790 /nfs/dbraw/zinc/32/77/90/379327790.db2.gz NRAVLHMUVLPEAF-NSHDSACASA-N 0 3 262.313 1.583 10 5 CDBEHN CNC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000421383737 392932995 /nfs/dbraw/zinc/93/29/95/392932995.db2.gz DJQOQHRQNHKRRR-GFCCVEGCSA-N 0 3 277.324 1.471 10 5 CDBEHN COc1cc(CN2CC[C@H]([C@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000305835687 397606965 /nfs/dbraw/zinc/60/69/65/397606965.db2.gz FSIJNHDMAONUMZ-JQWIXIFHSA-N 0 3 280.324 1.806 10 5 CDBEHN CO[C@@H]1CN[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000040633271 174359635 /nfs/dbraw/zinc/35/96/35/174359635.db2.gz KQRACUWHGAAWMW-GXSJLCMTSA-N 0 3 279.296 1.219 10 5 CDBEHN O=C1[C@H](NC2CC2)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000071031138 176022562 /nfs/dbraw/zinc/02/25/62/176022562.db2.gz DTDLQHOVHWIDMU-CQSZACIVSA-N 0 3 289.335 1.490 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1N1CCCN(CCO)CC1 ZINC000071349711 176133343 /nfs/dbraw/zinc/13/33/43/176133343.db2.gz UDWHDOLOFIBGBG-UHFFFAOYSA-N 0 3 279.340 1.408 10 5 CDBEHN Cc1cnc(NC[C@H](O)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000172807550 274826955 /nfs/dbraw/zinc/82/69/55/274826955.db2.gz YMYKJISQKUJYBC-LBPRGKRZSA-N 0 3 294.355 1.557 10 5 CDBEHN COC(=O)CC1(NCCOc2ccccc2[N+](=O)[O-])CC1 ZINC000571288691 294404807 /nfs/dbraw/zinc/40/48/07/294404807.db2.gz GZMJDLDSBPOZDG-UHFFFAOYSA-N 0 3 294.307 1.659 10 5 CDBEHN [NH3+][C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000038050122 295333653 /nfs/dbraw/zinc/33/36/53/295333653.db2.gz DFQDKUQFMHCQSB-UWVGGRQHSA-N 0 3 299.352 1.143 10 5 CDBEHN [NH3+][C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000038050121 303482507 /nfs/dbraw/zinc/48/25/07/303482507.db2.gz DFQDKUQFMHCQSB-VHSXEESVSA-N 0 3 299.352 1.143 10 5 CDBEHN CNC(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183341751 323331286 /nfs/dbraw/zinc/33/12/86/323331286.db2.gz NPSVFWMOPMLZDO-ZDUSSCGKSA-N 0 3 291.351 1.861 10 5 CDBEHN CN[C@@](C)(C[C@@H](C)Sc1ccccc1[N+](=O)[O-])C(N)=O ZINC000068628509 522417698 /nfs/dbraw/zinc/41/76/98/522417698.db2.gz JMYWFYJGTTZFFT-RNCFNFMXSA-N 0 3 297.380 1.929 10 5 CDBEHN CC(C)[C@@H](CN(C)C)Nc1ncccc1[N+](=O)[O-] ZINC000049218682 519794078 /nfs/dbraw/zinc/79/40/78/519794078.db2.gz RJFJUPCJTSUHAL-SNVBAGLBSA-N 0 3 252.318 1.988 10 5 CDBEHN CN[C@](CSc1ccccc1[N+](=O)[O-])(C(N)=O)C1CC1 ZINC000069184521 522533107 /nfs/dbraw/zinc/53/31/07/522533107.db2.gz UEZZXHPNXCFGMK-ZDUSSCGKSA-N 0 3 295.364 1.540 10 5 CDBEHN Cc1cc(-n2nnnc2CNCC(C)C)ccc1[N+](=O)[O-] ZINC000054762497 526080840 /nfs/dbraw/zinc/08/08/40/526080840.db2.gz YFULDJUQJPWDBR-UHFFFAOYSA-N 0 3 290.327 1.625 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1O[C@@H](C)C[C@@](C)(N)C(N)=O ZINC000068651332 526085821 /nfs/dbraw/zinc/08/58/21/526085821.db2.gz PSRLWCPSIMCJBR-TVQRCGJNSA-N 0 3 281.312 1.263 10 5 CDBEHN NCc1cc([N+](=O)[O-])ccc1OCC1CCOCC1 ZINC000052171295 527250693 /nfs/dbraw/zinc/25/06/93/527250693.db2.gz IWUUFTSVRCXPMQ-UHFFFAOYSA-N 0 3 266.297 1.859 10 5 CDBEHN Nc1ccc(CN(CCO)C2CC2)cc1[N+](=O)[O-] ZINC000050817989 527481282 /nfs/dbraw/zinc/48/12/82/527481282.db2.gz BMYDZNHIQWSSGE-UHFFFAOYSA-N 0 3 251.286 1.134 10 5 CDBEHN CCN(CC)CCOC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000755576563 576950075 /nfs/dbraw/zinc/95/00/75/576950075.db2.gz TZDAPESLXUSGBL-UHFFFAOYSA-N 0 3 284.316 1.310 10 5 CDBEHN CN1CCC[C@H]1CNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000139761452 617324108 /nfs/dbraw/zinc/32/41/08/617324108.db2.gz DQGKYUDOGYEGCA-LBPRGKRZSA-N 0 3 294.380 1.975 10 5 CDBEHN CC(COC(=O)COc1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813103991 617342698 /nfs/dbraw/zinc/34/26/98/617342698.db2.gz VTYHOJHXHLGBJE-QMMMGPOBSA-N 0 3 284.224 1.182 10 5 CDBEHN CC(COC(=O)c1cnn(C)c1Br)[N+](=O)[O-] ZINC000813111745 617346301 /nfs/dbraw/zinc/34/63/01/617346301.db2.gz WOMUUCBGQPXPPZ-RXMQYKEDSA-N 0 3 292.089 1.005 10 5 CDBEHN CC(COC(=O)[C@H](C)Oc1ccccc1F)[N+](=O)[O-] ZINC000813111918 617346450 /nfs/dbraw/zinc/34/64/50/617346450.db2.gz BFNHJRWEBDDKLQ-IUCAKERBSA-N 0 3 271.244 1.801 10 5 CDBEHN CC(=O)[C@@H]1C[C@H](C(=O)OCC(C)[N+](=O)[O-])C1(C)C ZINC000813115067 617349219 /nfs/dbraw/zinc/34/92/19/617349219.db2.gz ZXKVYPXRFTWYBS-UJNFCWOMSA-N 0 3 257.286 1.446 10 5 CDBEHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928434622 619075522 /nfs/dbraw/zinc/07/55/22/619075522.db2.gz WSPCWKLNYBOBTO-KOLCDFICSA-N 0 3 295.314 1.865 10 5 CDBEHN C[C@@H]1[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000915089850 631647675 /nfs/dbraw/zinc/64/76/75/631647675.db2.gz MOHHYBLBFIFPAJ-MFKMUULPSA-N 0 3 292.339 1.487 10 5 CDBEHN COc1cccc(CCC(=O)OCC(C)[N+](=O)[O-])c1OC ZINC000813113076 1163815898 /nfs/dbraw/zinc/81/58/98/1163815898.db2.gz XDTZIJIGZVOWPF-JTQLQIEISA-N 0 3 297.307 1.845 10 5 CDBEHN CC(COC(=O)[C@H]1CCCN1Cc1ccccc1)[N+](=O)[O-] ZINC000813113875 1163817554 /nfs/dbraw/zinc/81/75/54/1163817554.db2.gz VQSOUJQYEVFOEH-TZMCWYRMSA-N 0 3 292.335 1.859 10 5 CDBEHN CC(COC(=O)c1ccnc(N2CC[C@H](C)C2)c1)[N+](=O)[O-] ZINC000813107998 796848130 /nfs/dbraw/zinc/84/81/30/796848130.db2.gz SSLLIYZHIAYGRL-QWRGUYRKSA-N 0 3 293.323 1.750 10 5 CDBEHN CCOCCOc1ccccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102469 797348272 /nfs/dbraw/zinc/34/82/72/797348272.db2.gz FZQQEEHKHWDHRS-NSHDSACASA-N 0 3 297.307 1.924 10 5 CDBEHN C[C@@H](CO)[C@@H](C)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000167065807 797415344 /nfs/dbraw/zinc/41/53/44/797415344.db2.gz OJQNFYNAPNBCCJ-DTWKUNHWSA-N 0 3 256.277 1.840 10 5 CDBEHN O=[N+]([O-])c1sccc1N1CC(N[C@@H]2CCOC2)C1 ZINC001640464922 1167027894 /nfs/dbraw/zinc/02/78/94/1167027894.db2.gz JUMDSWCEJTZLAI-MRVPVSSYSA-N 0 3 269.326 1.223 10 5 CDBEHN N[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000851648602 927595132 /nfs/dbraw/zinc/59/51/32/927595132.db2.gz LHTPRTSGROJMEB-QNTSXVQBSA-N 0 3 293.298 1.506 10 5 CDBEHN CC[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000856409481 928591560 /nfs/dbraw/zinc/59/15/60/928591560.db2.gz SPELMXQANGAMCL-GXSJLCMTSA-N 0 3 292.339 1.390 10 5 CDBEHN Cn1nccc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000118906358 929404183 /nfs/dbraw/zinc/40/41/83/929404183.db2.gz NRVFJYLZTUYXRH-ZDUSSCGKSA-N 0 3 276.296 1.152 10 5 CDBEHN C[C@@H]1CN(C)[C@@H](C)CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588010632 342490466 /nfs/dbraw/zinc/49/04/66/342490466.db2.gz XPODZCRBUCQZNW-VHSXEESVSA-N 0 3 294.355 1.198 10 5 CDBEHN CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@H](C)N1 ZINC000599180700 343983151 /nfs/dbraw/zinc/98/31/51/343983151.db2.gz XUSCLCALPJVVKG-DTWKUNHWSA-N 0 3 268.292 1.706 10 5 CDBEHN Cc1cc(Nc2cnn(CCN(C)C)c2)ncc1[N+](=O)[O-] ZINC000074744845 342303655 /nfs/dbraw/zinc/30/36/55/342303655.db2.gz ZLBVDSKXJUXCDD-UHFFFAOYSA-N 0 3 290.327 1.800 10 5 CDBEHN C[C@H](NCC[C@@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000404213097 349768450 /nfs/dbraw/zinc/76/84/50/349768450.db2.gz XJLVUMKMYCZCOK-SMDDNHRTSA-N 0 3 280.324 1.787 10 5 CDBEHN O=[N+]([O-])c1ccc(OCCN2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000595767799 343146306 /nfs/dbraw/zinc/14/63/06/343146306.db2.gz OMQBBWKISGNBKH-SMDDNHRTSA-N 0 3 278.308 1.430 10 5 CDBEHN N[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1F ZINC000596104471 343228338 /nfs/dbraw/zinc/22/83/38/343228338.db2.gz FIBROJMDWZAQGV-UXOHQCDBSA-N 0 3 279.315 1.979 10 5 CDBEHN C[C@@H](CN1CCC(C)CC1)Nc1ccncc1[N+](=O)[O-] ZINC000596488254 343329121 /nfs/dbraw/zinc/32/91/21/343329121.db2.gz PEUIWXSMESONMX-LBPRGKRZSA-N 0 3 278.356 1.944 10 5 CDBEHN CC(C)(C)N1CC[C@@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596308730 343293810 /nfs/dbraw/zinc/29/38/10/343293810.db2.gz MILDEBWASMMZIL-SECBINFHSA-N 0 3 279.344 1.279 10 5 CDBEHN CC[C@@H](N[C@H]1C[C@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599070393 343948839 /nfs/dbraw/zinc/94/88/39/343948839.db2.gz MXGLHZHQODSAFF-NQBHXWOUSA-N 0 3 277.324 1.899 10 5 CDBEHN CN1CCC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000604199753 344865469 /nfs/dbraw/zinc/86/54/69/344865469.db2.gz UXLIDXGZQUWKHX-GFCCVEGCSA-N 0 3 277.324 1.348 10 5 CDBEHN COC[C@H](C)N(C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050815181 522595033 /nfs/dbraw/zinc/59/50/33/522595033.db2.gz PISYSPJQSHSLSS-VIFPVBQESA-N 0 3 253.302 1.644 10 5 CDBEHN CN1CCC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000052555143 346466669 /nfs/dbraw/zinc/46/66/69/346466669.db2.gz YFQYOKLRFQEGPK-GFCCVEGCSA-N 0 3 292.339 1.488 10 5 CDBEHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)N(C)C)c1 ZINC000136296689 362965444 /nfs/dbraw/zinc/96/54/44/362965444.db2.gz QLUUTWRCKKVFJJ-VIFPVBQESA-N 0 3 281.312 1.743 10 5 CDBEHN O=[N+]([O-])c1ccc(N2CCCN(CCO)CC2)cc1 ZINC000110460227 186297287 /nfs/dbraw/zinc/29/72/87/186297287.db2.gz VEGQQHRBXMXYNE-UHFFFAOYSA-N 0 3 265.313 1.099 10 5 CDBEHN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CNCCO1 ZINC000125359279 351430833 /nfs/dbraw/zinc/43/08/33/351430833.db2.gz NWNBRHACDKODMW-LBPRGKRZSA-N 0 3 265.313 1.015 10 5 CDBEHN COc1ccc(CN[C@@H](C)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000134981632 356902144 /nfs/dbraw/zinc/90/21/44/356902144.db2.gz RNUSJSBZUJBOEE-ZJUUUORDSA-N 0 3 268.313 1.710 10 5 CDBEHN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN2CCC[C@H]2C1 ZINC000193724276 375896462 /nfs/dbraw/zinc/89/64/62/375896462.db2.gz NJEQRDWAYABCGU-ZDUSSCGKSA-N 0 3 290.323 1.907 10 5 CDBEHN O=[N+]([O-])c1ccc2nc([S@@](=O)[C@@H]3CCC[NH2+]C3)[n-]c2c1 ZINC000095092110 285141455 /nfs/dbraw/zinc/14/14/55/285141455.db2.gz CKDQBJNQLSGPEB-GSDQLPOLSA-N 0 3 294.336 1.331 10 5 CDBEHN O=[N+]([O-])c1ccc2[n-]c([S@@](=O)[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000095092110 285141456 /nfs/dbraw/zinc/14/14/56/285141456.db2.gz CKDQBJNQLSGPEB-GSDQLPOLSA-N 0 3 294.336 1.331 10 5 CDBEHN COCC[C@H](C)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123491115 285164281 /nfs/dbraw/zinc/16/42/81/285164281.db2.gz BNQVRALKIGUAIF-ZLKJLUDKSA-N 0 3 298.339 1.004 10 5 CDBEHN COc1ccc(OCCN(C)CCCO)c([N+](=O)[O-])c1 ZINC000281567486 195291828 /nfs/dbraw/zinc/29/18/28/195291828.db2.gz DDDHCRBMKIHOMG-UHFFFAOYSA-N 0 3 284.312 1.296 10 5 CDBEHN C[C@H]1CC(O)C[C@H](C)N1CCn1ccc([N+](=O)[O-])n1 ZINC000191182518 130197975 /nfs/dbraw/zinc/19/79/75/130197975.db2.gz POZFDZUIHVHHPG-UWVGGRQHSA-N 0 3 268.317 1.025 10 5 CDBEHN C[C@H](CO)NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000037258367 173069565 /nfs/dbraw/zinc/06/95/65/173069565.db2.gz NSPOEOMGFMBSCD-SSDOTTSWSA-N 0 3 289.129 1.828 10 5 CDBEHN N[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000070987160 176018484 /nfs/dbraw/zinc/01/84/84/176018484.db2.gz GAJXHRVWKDEYAF-PELKAZGASA-N 0 3 265.269 1.341 10 5 CDBEHN Cc1ccc(N2CCCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000071349737 176134149 /nfs/dbraw/zinc/13/41/49/176134149.db2.gz LGSCVJDTHCIBON-UHFFFAOYSA-N 0 3 279.340 1.408 10 5 CDBEHN CCN1CC[C@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)[C@H](C)C1 ZINC000266231418 270313328 /nfs/dbraw/zinc/31/33/28/270313328.db2.gz JSHAVPIAZUBGQL-ZJUUUORDSA-N 0 3 294.359 1.134 10 5 CDBEHN N[C@@H]1CCCn2c(=O)c3cc([N+](=O)[O-])ccc3nc21 ZINC000072266462 274958566 /nfs/dbraw/zinc/95/85/66/274958566.db2.gz ATNAILKDTSNATG-SECBINFHSA-N 0 3 260.253 1.098 10 5 CDBEHN CC1(C)NC(=O)CC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000338475479 276154075 /nfs/dbraw/zinc/15/40/75/276154075.db2.gz DCYUXZWLKYNJOJ-GFCCVEGCSA-N 0 3 277.324 1.742 10 5 CDBEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000069132738 278841821 /nfs/dbraw/zinc/84/18/21/278841821.db2.gz SPPZQWDVTCDBRZ-NXEZZACHSA-N 0 3 263.297 1.417 10 5 CDBEHN COCC[C@H](N)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000052792403 521946513 /nfs/dbraw/zinc/94/65/13/521946513.db2.gz NIBNIRIUVIPZCC-VIFPVBQESA-N 0 3 271.248 1.036 10 5 CDBEHN CC(C)OC(=O)COc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516151 519747298 /nfs/dbraw/zinc/74/72/98/519747298.db2.gz HJPVQBPRAAKSJH-UHFFFAOYSA-N 0 3 268.269 1.384 10 5 CDBEHN CNC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000061316147 521943382 /nfs/dbraw/zinc/94/33/82/521943382.db2.gz ZACDHYZLYZZYBF-UHFFFAOYSA-N 0 3 251.286 1.840 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(O[C@H](C)C(=O)OC)c1 ZINC000050516633 522127757 /nfs/dbraw/zinc/12/77/57/522127757.db2.gz DELCGCWFHBBBRQ-MRVPVSSYSA-N 0 3 268.269 1.255 10 5 CDBEHN COCCN(C)CCNc1cccc([N+](=O)[O-])c1 ZINC000061379605 523615538 /nfs/dbraw/zinc/61/55/38/523615538.db2.gz VMZBJNIZDCDRKU-UHFFFAOYSA-N 0 3 253.302 1.585 10 5 CDBEHN Cc1cccc(O[C@H](C)C[C@](C)(N)C(N)=O)c1[N+](=O)[O-] ZINC000068651384 524783363 /nfs/dbraw/zinc/78/33/63/524783363.db2.gz FAWKBGBXLSYDLB-RNCFNFMXSA-N 0 3 281.312 1.263 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1C(=O)N1[C@H](C)CNC[C@@H]1C ZINC000069133295 524905108 /nfs/dbraw/zinc/90/51/08/524905108.db2.gz BJMVMCMODRAEAY-PHIMTYICSA-N 0 3 277.324 1.726 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN(CCO)C1CC1 ZINC000183266251 525563313 /nfs/dbraw/zinc/56/33/13/525563313.db2.gz FKHPBRPHXWFQHK-UHFFFAOYSA-N 0 3 250.298 1.860 10 5 CDBEHN O=C1C[C@@]2(CCN(Cc3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000366122497 527026269 /nfs/dbraw/zinc/02/62/69/527026269.db2.gz IIOAQAGHLNCEES-AWEZNQCLSA-N 0 3 275.308 1.307 10 5 CDBEHN COCCOc1ccccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813115496 617349409 /nfs/dbraw/zinc/34/94/09/617349409.db2.gz TVKGXNFEFWUXDO-SNVBAGLBSA-N 0 3 283.280 1.534 10 5 CDBEHN COc1cc([N+](=O)[O-])cnc1N1CCN2CCC[C@@H]2C1 ZINC000892387998 618117566 /nfs/dbraw/zinc/11/75/66/618117566.db2.gz HOLRQIMYEUKBQG-SNVBAGLBSA-N 0 3 278.312 1.283 10 5 CDBEHN CC[C@H](C(=O)NCc1ccc(C)c([N+](=O)[O-])c1)N(C)C ZINC000825648679 1165507519 /nfs/dbraw/zinc/50/75/19/1165507519.db2.gz XPCOGRQRQWJCLX-GFCCVEGCSA-N 0 3 279.340 1.860 10 5 CDBEHN C[C@@H]1CN(c2nn(C)cc2[N+](=O)[O-])CCN1C1CCCC1 ZINC001612917626 1165524923 /nfs/dbraw/zinc/52/49/23/1165524923.db2.gz YFCOTPOYMQHZEW-LLVKDONJSA-N 0 3 293.371 1.781 10 5 CDBEHN Cc1[nH]cnc1CC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001624454067 1165841874 /nfs/dbraw/zinc/84/18/74/1165841874.db2.gz WCIYOVYMYBCFMT-UHFFFAOYSA-N 0 3 288.307 1.528 10 5 CDBEHN CCC(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001731883139 1182650769 /nfs/dbraw/zinc/65/07/69/1182650769.db2.gz BBOAGMWWLBCQDG-UHFFFAOYSA-N 0 3 265.313 1.553 10 5 CDBEHN CC(COC(=O)c1ccc(OCC(F)F)nc1)[N+](=O)[O-] ZINC000813114777 1163818687 /nfs/dbraw/zinc/81/86/87/1163818687.db2.gz GMJYXMJHVPNMNO-SSDOTTSWSA-N 0 3 290.222 1.548 10 5 CDBEHN C[C@H]1CCN(CC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001629133969 1166116352 /nfs/dbraw/zinc/11/63/52/1166116352.db2.gz PWJUGVZZBOMEDI-NSHDSACASA-N 0 3 289.335 1.779 10 5 CDBEHN Cn1nccc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818952451 811344849 /nfs/dbraw/zinc/34/48/49/811344849.db2.gz LZYDRHCTJMAJPS-ZDUSSCGKSA-N 0 3 276.296 1.152 10 5 CDBEHN Cc1nn(CC(F)(F)F)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813111459 811372294 /nfs/dbraw/zinc/37/22/94/811372294.db2.gz HQQDJMXOXLUIMW-ZCFIWIBFSA-N 0 3 295.217 1.576 10 5 CDBEHN CO[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813104443 811608349 /nfs/dbraw/zinc/60/83/49/811608349.db2.gz CUUFSKQIZAPFAS-MWLCHTKSSA-N 0 3 253.254 1.583 10 5 CDBEHN CC(COC(=O)Cc1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000813110424 812864636 /nfs/dbraw/zinc/86/46/36/812864636.db2.gz AEHMGLJUGHJXIT-QMMMGPOBSA-N 0 3 267.237 1.166 10 5 CDBEHN C[C@H](NCC[S@@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000135465766 813860227 /nfs/dbraw/zinc/86/02/27/813860227.db2.gz BNDWEYQAPJBUIH-XYZCENFISA-N 0 3 256.327 1.624 10 5 CDBEHN CC(COC(=O)CCc1nnc(C2CCCC2)o1)[N+](=O)[O-] ZINC000813107041 817852259 /nfs/dbraw/zinc/85/22/59/817852259.db2.gz KZJWUVZTLGZGFW-SECBINFHSA-N 0 3 297.311 1.868 10 5 CDBEHN Cc1ccc(N(C)CCN(C)CCO)c([N+](=O)[O-])c1 ZINC000691344380 914272840 /nfs/dbraw/zinc/27/28/40/914272840.db2.gz UCXJBMRHHHEXKY-UHFFFAOYSA-N 0 3 267.329 1.264 10 5 CDBEHN CC(C)(C)N1CC[C@@](F)(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)C1 ZINC001177810170 914954318 /nfs/dbraw/zinc/95/43/18/914954318.db2.gz ITTVNUDIRODXFJ-LBPRGKRZSA-N 0 3 299.306 1.469 10 5 CDBEHN Cc1cc(C(=O)N[C@@H]2CN(C)CC2(C)C)ccc1[N+](=O)[O-] ZINC001178703507 915599823 /nfs/dbraw/zinc/59/98/23/915599823.db2.gz DAKFHNZNOXMYOF-CYBMUJFWSA-N 0 3 291.351 1.973 10 5 CDBEHN COC(=O)N(C)CCN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000852570814 927819596 /nfs/dbraw/zinc/81/95/96/927819596.db2.gz GGCSDMRRGJDQMW-UHFFFAOYSA-N 0 3 295.339 1.767 10 5 CDBEHN CO[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000784364758 937299692 /nfs/dbraw/zinc/29/96/92/937299692.db2.gz IPNXIOOBYIJUBO-NILFDRSVSA-N 0 3 294.351 1.985 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(N2CC(N[C@@H]3CCOC3)C2)c1 ZINC001651457152 1171325502 /nfs/dbraw/zinc/32/55/02/1171325502.db2.gz LEJKJXXQZOQZTG-LLVKDONJSA-N 0 3 277.324 1.470 10 5 CDBEHN Nc1cc(NCCN2CCCCC2)cc(CO)c1[N+](=O)[O-] ZINC000587216470 342474691 /nfs/dbraw/zinc/47/46/91/342474691.db2.gz YMFKLNDOYYYSFM-UHFFFAOYSA-N 0 3 294.355 1.567 10 5 CDBEHN CN(C[C@@H]1CCCN1C)c1ncc(F)cc1[N+](=O)[O-] ZINC000601174473 342486595 /nfs/dbraw/zinc/48/65/95/342486595.db2.gz DMKFUOVDFJAVOB-JTQLQIEISA-N 0 3 268.292 1.659 10 5 CDBEHN O=[N+]([O-])c1ccccc1/C=C\CNC1COCCOC1 ZINC000589938465 342517274 /nfs/dbraw/zinc/51/72/74/342517274.db2.gz SCZKAHSMZNPFDW-HYXAFXHYSA-N 0 3 278.308 1.613 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590009514 342519235 /nfs/dbraw/zinc/51/92/35/342519235.db2.gz SHCATTMFOWUTTN-RISCZKNCSA-N 0 3 291.351 1.739 10 5 CDBEHN COCCN(C)CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129782796 539067769 /nfs/dbraw/zinc/06/77/69/539067769.db2.gz UMFUVGPZORKQIK-UHFFFAOYSA-N 0 3 288.735 1.633 10 5 CDBEHN C[C@]12COC[C@H]1CN(CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000595758403 343143143 /nfs/dbraw/zinc/14/31/43/343143143.db2.gz MWFVIQOJWHMNPG-DOMZBBRYSA-N 0 3 292.335 1.942 10 5 CDBEHN CN1CCOC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000599004642 343937817 /nfs/dbraw/zinc/93/78/17/343937817.db2.gz VQZQXWHGFJPWCE-LBPRGKRZSA-N 0 3 299.758 1.668 10 5 CDBEHN CC[C@@H](NC[C@H]1COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000599081630 343957225 /nfs/dbraw/zinc/95/72/25/343957225.db2.gz SORYKAWFVYKVDQ-LSDHHAIUSA-N 0 3 293.367 1.966 10 5 CDBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CCOCCO ZINC000265759694 362596031 /nfs/dbraw/zinc/59/60/31/362596031.db2.gz ATWGLSJZEMPXBG-LLVKDONJSA-N 0 3 268.313 1.597 10 5 CDBEHN CN1CCC[C@@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000053297678 362680941 /nfs/dbraw/zinc/68/09/41/362680941.db2.gz OMMKAUZUOLQQRM-JTQLQIEISA-N 0 3 250.302 1.744 10 5 CDBEHN O=[N+]([O-])c1cccc(CCN2CCC(O)CC2)c1 ZINC000230457992 348745497 /nfs/dbraw/zinc/74/54/97/348745497.db2.gz OJMQEANFMMQOJP-UHFFFAOYSA-N 0 3 250.298 1.594 10 5 CDBEHN CC(C)N1CC[C@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000066810808 350877097 /nfs/dbraw/zinc/87/70/97/350877097.db2.gz BITOYDMFDYISRR-JTQLQIEISA-N 0 3 250.302 1.884 10 5 CDBEHN CC[C@@H]1CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000292568325 198336321 /nfs/dbraw/zinc/33/63/21/198336321.db2.gz ZTKYLGAOWWCTGH-YPMHNXCESA-N 0 3 280.324 1.819 10 5 CDBEHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000037890366 356549325 /nfs/dbraw/zinc/54/93/25/356549325.db2.gz TUSCMQWLTNYDPB-MWLCHTKSSA-N 0 3 296.352 1.565 10 5 CDBEHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H]1C1CC1 ZINC000453011257 359054301 /nfs/dbraw/zinc/05/43/01/359054301.db2.gz HMWBIKPVZWKWHV-OLZOCXBDSA-N 0 3 292.335 1.819 10 5 CDBEHN C[C@H](NC[C@@H](O)CN(C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000289654359 359660512 /nfs/dbraw/zinc/66/05/12/359660512.db2.gz XOGJZAROHDSEAO-WCQYABFASA-N 0 3 293.367 1.701 10 5 CDBEHN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCN2CCC[C@@H]2C1 ZINC000177331705 364808559 /nfs/dbraw/zinc/80/85/59/364808559.db2.gz IANWIAZFIWQPEG-LLVKDONJSA-N 0 3 293.298 1.654 10 5 CDBEHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)[C@H](C)CO ZINC000272355197 367695305 /nfs/dbraw/zinc/69/53/05/367695305.db2.gz DSBSFKQESCZOEQ-RKDXNWHRSA-N 0 3 256.277 1.840 10 5 CDBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000113228007 374245071 /nfs/dbraw/zinc/24/50/71/374245071.db2.gz UFOVPGFGYAMVCR-BXUZGUMPSA-N 0 3 289.335 1.904 10 5 CDBEHN C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000275142897 374689364 /nfs/dbraw/zinc/68/93/64/374689364.db2.gz FAQRFCNOPRSRQT-NOZJJQNGSA-N 0 3 276.296 1.702 10 5 CDBEHN CCc1nn(C)c(NC[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000226098373 375269919 /nfs/dbraw/zinc/26/99/19/375269919.db2.gz KSOFABJPOQNCPB-VIFPVBQESA-N 0 3 267.333 1.397 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173722840 378988123 /nfs/dbraw/zinc/98/81/23/378988123.db2.gz HYEWVRRXTNKFGM-ZDUSSCGKSA-N 0 3 277.324 1.348 10 5 CDBEHN CC[C@H](NC[C@](C)(O)C(C)=O)c1cccc([N+](=O)[O-])c1 ZINC000450674190 251398064 /nfs/dbraw/zinc/39/80/64/251398064.db2.gz BFKBBMLLCPDYET-KBPBESRZSA-N 0 3 280.324 1.976 10 5 CDBEHN CC(=O)[C@](C)(O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000450679579 251399668 /nfs/dbraw/zinc/39/96/68/251399668.db2.gz WSLTYLNGKAIHSE-NOZJJQNGSA-N 0 3 266.297 1.585 10 5 CDBEHN O=[N+]([O-])c1ccc(OC[C@H]2CNCCO2)cc1F ZINC000080745234 177698438 /nfs/dbraw/zinc/69/84/38/177698438.db2.gz VKXPXZONRHPWQP-SECBINFHSA-N 0 3 256.233 1.101 10 5 CDBEHN O=[N+]([O-])c1ccc(CCN2CC[C@](O)(C(F)F)C2)cc1 ZINC000451426002 390619527 /nfs/dbraw/zinc/61/95/27/390619527.db2.gz HSQWSZYIXYLICA-CYBMUJFWSA-N 0 3 286.278 1.839 10 5 CDBEHN C[C@H]1CCCCN1CCNc1c([N+](=O)[O-])ncn1C ZINC000298682542 392727967 /nfs/dbraw/zinc/72/79/67/392727967.db2.gz AUQZJGSUMSCJPH-JTQLQIEISA-N 0 3 267.333 1.615 10 5 CDBEHN O=[N+]([O-])c1ccc(CN2CC[C@H](c3nnc[nH]3)C2)cc1 ZINC000425354054 393020508 /nfs/dbraw/zinc/02/05/08/393020508.db2.gz KDELWVVZDJKVIF-NSHDSACASA-N 0 3 273.296 1.702 10 5 CDBEHN CN(C)C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532397412 393073260 /nfs/dbraw/zinc/07/32/60/393073260.db2.gz IVWJIJNIPALLPY-LLVKDONJSA-N 0 3 278.312 1.156 10 5 CDBEHN CC[C@H](NC[C@@](C)(O)C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000343759735 152293026 /nfs/dbraw/zinc/29/30/26/152293026.db2.gz IFGDGYGZFPEGBD-GXTWGEPZSA-N 0 3 296.323 1.560 10 5 CDBEHN CNC(=O)[C@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1C ZINC000350077102 154320823 /nfs/dbraw/zinc/32/08/23/154320823.db2.gz BWNUPJUCPIFORZ-KBPBESRZSA-N 0 3 291.351 1.908 10 5 CDBEHN C[C@@H](CO)NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000037258365 173068993 /nfs/dbraw/zinc/06/89/93/173068993.db2.gz NSPOEOMGFMBSCD-ZETCQYMHSA-N 0 3 289.129 1.828 10 5 CDBEHN CN1CCCC[C@@H]1CNc1ccncc1[N+](=O)[O-] ZINC000044563039 175206747 /nfs/dbraw/zinc/20/67/47/175206747.db2.gz QGYBIHGALHKADB-SNVBAGLBSA-N 0 3 250.302 1.886 10 5 CDBEHN C[C@@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000046857470 175399603 /nfs/dbraw/zinc/39/96/03/175399603.db2.gz DCLAGUZYAYKJDM-SNVBAGLBSA-N 0 3 281.312 1.792 10 5 CDBEHN O=[N+]([O-])c1c(N2CCN3CCC2CC3)nc2sccn21 ZINC000302740232 424606023 /nfs/dbraw/zinc/60/60/23/424606023.db2.gz CJRFDPRWRFREGG-UHFFFAOYSA-N 0 3 293.352 1.588 10 5 CDBEHN O=[N+]([O-])c1ccc(N2CCCN(C3CC3)CC2)nc1 ZINC000057857629 275035990 /nfs/dbraw/zinc/03/59/90/275035990.db2.gz IKWUGXCLBRGQGW-UHFFFAOYSA-N 0 3 262.313 1.664 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(OC[C@@H](C)C(N)=O)c1 ZINC000050517010 520002347 /nfs/dbraw/zinc/00/23/47/520002347.db2.gz XPVKBWSYXCNDJY-SECBINFHSA-N 0 3 281.312 1.205 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(OCC(C)(C)O)c1 ZINC000050516744 522124807 /nfs/dbraw/zinc/12/48/07/522124807.db2.gz XNSQYMUSBYANBU-UHFFFAOYSA-N 0 3 254.286 1.464 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(O[C@H](C)C(=O)N(C)C)c1 ZINC000050516808 522125052 /nfs/dbraw/zinc/12/50/52/522125052.db2.gz PMTLDLCCVCHEOU-SECBINFHSA-N 0 3 281.312 1.170 10 5 CDBEHN COCCNCc1ccc([N+](=O)[O-])c(OCCOC)c1 ZINC000062733353 523952678 /nfs/dbraw/zinc/95/26/78/523952678.db2.gz ZIUIKGOSVNWFLG-UHFFFAOYSA-N 0 3 284.312 1.356 10 5 CDBEHN O=C(c1csc([N+](=O)[O-])c1)N1CCN2CCC[C@H]2C1 ZINC000049516041 526907408 /nfs/dbraw/zinc/90/74/08/526907408.db2.gz QPGJKYVXCLBRQM-JTQLQIEISA-N 0 3 281.337 1.577 10 5 CDBEHN Nc1cc([N+](=O)[O-])ccc1N1CCN(CC2CC2)CC1 ZINC000052840855 527460871 /nfs/dbraw/zinc/46/08/71/527460871.db2.gz ODHBFMUDABJLPN-UHFFFAOYSA-N 0 3 276.340 1.709 10 5 CDBEHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H]3C[C@H]32)c1 ZINC000761092462 576547004 /nfs/dbraw/zinc/54/70/04/576547004.db2.gz LFQWOZVUDXQRGF-ZKYQVNSYSA-N 0 3 278.308 1.429 10 5 CDBEHN C[C@@H]1[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])CCN1C ZINC000928457091 619121274 /nfs/dbraw/zinc/12/12/74/619121274.db2.gz YUDLIZYKDAYNQF-KOLCDFICSA-N 0 3 263.297 1.417 10 5 CDBEHN CCOCC(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001731890055 1182657038 /nfs/dbraw/zinc/65/70/38/1182657038.db2.gz QKQCYZZVBLHKOX-UHFFFAOYSA-N 0 3 295.339 1.179 10 5 CDBEHN CC(COC(=O)[C@@H]1CCN(c2ccccc2F)C1)[N+](=O)[O-] ZINC000813114254 1163818172 /nfs/dbraw/zinc/81/81/72/1163818172.db2.gz OLUNZDKHWOVCJT-GHMZBOCLSA-N 0 3 296.298 1.860 10 5 CDBEHN C[C@H](NC[C@@H](O)C1(O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000930595689 818008132 /nfs/dbraw/zinc/00/81/32/818008132.db2.gz WXUZRZYRTRWESC-SMDDNHRTSA-N 0 3 294.351 1.911 10 5 CDBEHN CCN(C)[C@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813104423 818053804 /nfs/dbraw/zinc/05/38/04/818053804.db2.gz CHGIPQGISLOARY-YPMHNXCESA-N 0 3 280.324 1.888 10 5 CDBEHN CC(C)c1noc(CCC(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813112462 818125532 /nfs/dbraw/zinc/12/55/32/818125532.db2.gz QEKJALMHFXXZGL-QMMMGPOBSA-N 0 3 271.273 1.334 10 5 CDBEHN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000852538374 818208261 /nfs/dbraw/zinc/20/82/61/818208261.db2.gz FFSSCQYFAKCHOP-IACUBPJLSA-N 0 3 278.308 1.085 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928443429 818546063 /nfs/dbraw/zinc/54/60/63/818546063.db2.gz FKSOLZBPUKHZSX-GWCFXTLKSA-N 0 3 277.324 1.726 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C)[C@@H]2C)c1 ZINC000928447948 818610897 /nfs/dbraw/zinc/61/08/97/818610897.db2.gz MCPKFORXXGQWQH-PWSUYJOCSA-N 0 3 277.324 1.726 10 5 CDBEHN COc1cccc(COCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813111983 818647624 /nfs/dbraw/zinc/64/76/24/818647624.db2.gz MCMYTVKOCJHNBH-SNVBAGLBSA-N 0 3 283.280 1.420 10 5 CDBEHN CC(COC(=O)[C@H]1CCCN1CC(F)(F)F)[N+](=O)[O-] ZINC000813107546 818888603 /nfs/dbraw/zinc/88/86/03/818888603.db2.gz SPBVTHYGDZRNQA-JGVFFNPUSA-N 0 3 284.234 1.222 10 5 CDBEHN CC(COC(=O)[C@H](C)c1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000797281875 819034349 /nfs/dbraw/zinc/03/43/49/819034349.db2.gz QPFOZAVFVMOHRD-RKDXNWHRSA-N 0 3 281.264 1.727 10 5 CDBEHN CC(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)[N+](=O)[O-] ZINC000813109119 819036214 /nfs/dbraw/zinc/03/62/14/819036214.db2.gz FPNDDKHAJXPHGB-QWRGUYRKSA-N 0 3 292.291 1.248 10 5 CDBEHN CC(COC(=O)c1ccnc(C2CC2)c1)[N+](=O)[O-] ZINC000813107377 819394629 /nfs/dbraw/zinc/39/46/29/819394629.db2.gz MSAMAAUKSLZPDQ-MRVPVSSYSA-N 0 3 250.254 1.781 10 5 CDBEHN C[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000778140766 819809013 /nfs/dbraw/zinc/80/90/13/819809013.db2.gz FASKWSUVVVJKGE-RNCFNFMXSA-N 0 3 276.296 1.702 10 5 CDBEHN CC(COC(=O)c1ccc(N2CCCC2=O)cc1)[N+](=O)[O-] ZINC000813115357 820242266 /nfs/dbraw/zinc/24/22/66/820242266.db2.gz PXYMWPIRKFMJCZ-SNVBAGLBSA-N 0 3 292.291 1.635 10 5 CDBEHN CC(COC(=O)C[C@H](C)NC(=O)C1CCCC1)[N+](=O)[O-] ZINC000813113022 820517313 /nfs/dbraw/zinc/51/73/13/820517313.db2.gz WLHWTAZYAFRNCW-UWVGGRQHSA-N 0 3 286.328 1.280 10 5 CDBEHN CC(COC(=O)Cc1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813112959 820811955 /nfs/dbraw/zinc/81/19/55/820811955.db2.gz MOFLUXQVGUVAQK-QMMMGPOBSA-N 0 3 268.225 1.346 10 5 CDBEHN CCOc1cccnc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110084 820981915 /nfs/dbraw/zinc/98/19/15/820981915.db2.gz ZERVPKUILLHDHY-QMMMGPOBSA-N 0 3 254.242 1.302 10 5 CDBEHN COC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813101860 821211410 /nfs/dbraw/zinc/21/14/10/821211410.db2.gz KFTGIXGITZIGGJ-MRVPVSSYSA-N 0 3 267.237 1.295 10 5 CDBEHN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000928446722 821882648 /nfs/dbraw/zinc/88/26/48/821882648.db2.gz YBHTZYDMVCOXPA-UFBFGSQYSA-N 0 3 281.287 1.556 10 5 CDBEHN CCOC(=O)c1ccnc(SCCN(C)C)c1[N+](=O)[O-] ZINC001472730831 970689429 /nfs/dbraw/zinc/68/94/29/970689429.db2.gz WCIBDTIFXVKLHR-UHFFFAOYSA-N 0 3 299.352 1.820 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c1 ZINC000590445626 342546475 /nfs/dbraw/zinc/54/64/75/342546475.db2.gz REZFNDIWYPXTFL-BXUZGUMPSA-N 0 3 289.335 1.679 10 5 CDBEHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000590444959 342546675 /nfs/dbraw/zinc/54/66/75/342546675.db2.gz OMLKSOBDZMXQOF-AAEUAGOBSA-N 0 3 275.308 1.371 10 5 CDBEHN C[C@H]1CN(c2ccncc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000590703701 342582496 /nfs/dbraw/zinc/58/24/96/342582496.db2.gz WAMNNYZOTKMVPK-LLVKDONJSA-N 0 3 276.340 1.910 10 5 CDBEHN CO[C@@](C)(CO)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000594510777 342912541 /nfs/dbraw/zinc/91/25/41/342912541.db2.gz KNALRIIWKAIPIK-SMDDNHRTSA-N 0 3 282.340 1.951 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000108336646 349736226 /nfs/dbraw/zinc/73/62/26/349736226.db2.gz UBJDEWOBSJTKRU-GFCCVEGCSA-N 0 3 291.351 1.975 10 5 CDBEHN Cc1noc(CN(C)[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595349112 343045446 /nfs/dbraw/zinc/04/54/46/343045446.db2.gz YJXDZRRUWZKCLK-ONGXEEELSA-N 0 3 282.344 1.806 10 5 CDBEHN COc1cc(CN2CCC[C@@H]2[C@H](C)O)ccc1[N+](=O)[O-] ZINC000595767438 343146141 /nfs/dbraw/zinc/14/61/41/343146141.db2.gz XJBVRGXSQAFYGG-CMPLNLGQSA-N 0 3 280.324 1.949 10 5 CDBEHN CCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000598343224 343771455 /nfs/dbraw/zinc/77/14/55/343771455.db2.gz SQJRKRUFRZLOAB-LLVKDONJSA-N 0 3 292.339 1.512 10 5 CDBEHN C[C@H](N[C@H]1C[C@H](C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599069757 343949047 /nfs/dbraw/zinc/94/90/47/343949047.db2.gz HWTIRQMYMXWICC-LSJOCFKGSA-N 0 3 263.297 1.509 10 5 CDBEHN NC(=O)C[C@@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000339137824 359298913 /nfs/dbraw/zinc/29/89/13/359298913.db2.gz WGPSZMVRXLVQGZ-LBPRGKRZSA-N 0 3 277.324 1.825 10 5 CDBEHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000282247175 299358109 /nfs/dbraw/zinc/35/81/09/299358109.db2.gz GKTFDTGLQLFKOM-OPQQBVKSSA-N 0 3 277.324 1.913 10 5 CDBEHN CC[C@](C)(O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000123018445 373750738 /nfs/dbraw/zinc/75/07/38/373750738.db2.gz UOASVTVBTSXJCU-HNNXBMFYSA-N 0 3 293.367 1.878 10 5 CDBEHN Cc1n[nH]c(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000266046199 373786355 /nfs/dbraw/zinc/78/63/55/373786355.db2.gz FAVBRXPCIQGOLA-SCZZXKLOSA-N 0 3 295.343 1.181 10 5 CDBEHN Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000266046199 373786361 /nfs/dbraw/zinc/78/63/61/373786361.db2.gz FAVBRXPCIQGOLA-SCZZXKLOSA-N 0 3 295.343 1.181 10 5 CDBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000113233726 374245170 /nfs/dbraw/zinc/24/51/70/374245170.db2.gz RGRGAYRDIBSPSE-NXEZZACHSA-N 0 3 279.296 1.497 10 5 CDBEHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCCCN2CCO)cc1 ZINC000449398988 374808559 /nfs/dbraw/zinc/80/85/59/374808559.db2.gz ZJCZJBXDPASJPX-HNNXBMFYSA-N 0 3 293.367 1.531 10 5 CDBEHN O=C(c1ccc([N+](=O)[O-])o1)N1CCN2CCC[C@@H]2C1 ZINC000171584393 376834806 /nfs/dbraw/zinc/83/48/06/376834806.db2.gz YBXLQCXOYVCFPG-SECBINFHSA-N 0 3 265.269 1.108 10 5 CDBEHN Cc1cc(N2CCO[C@H]3CCN(C)C[C@@H]32)ncc1[N+](=O)[O-] ZINC000284593237 393193025 /nfs/dbraw/zinc/19/30/25/393193025.db2.gz QGMJSGFLLSCBDW-STQMWFEESA-N 0 3 292.339 1.208 10 5 CDBEHN CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000040633267 174359227 /nfs/dbraw/zinc/35/92/27/174359227.db2.gz SOBBKICVZNJPIQ-WCBMZHEXSA-N 0 3 299.714 1.564 10 5 CDBEHN CO[C@H]1CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000040633277 174359632 /nfs/dbraw/zinc/35/96/32/174359632.db2.gz SITWLSZEPUWDIR-ZYHUDNBSSA-N 0 3 279.296 1.219 10 5 CDBEHN CO[C@H]1CN[C@@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000040633262 174359687 /nfs/dbraw/zinc/35/96/87/174359687.db2.gz LNVRUGQRJMMUNP-PSASIEDQSA-N 0 3 283.259 1.049 10 5 CDBEHN CN(C)[C@@H](CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)C1CC1 ZINC000447674888 273803850 /nfs/dbraw/zinc/80/38/50/273803850.db2.gz HXBKCAUIWRNNAR-ZDUSSCGKSA-N 0 3 289.339 1.645 10 5 CDBEHN CC(C)(C)[C@@H](O)C[C@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000283798895 275527415 /nfs/dbraw/zinc/52/74/15/275527415.db2.gz AEXZGHMSTKFHPK-OCCSQVGLSA-N 0 3 296.367 1.842 10 5 CDBEHN C[C@@H](NC[C@@H]1CN(C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000091666876 278352085 /nfs/dbraw/zinc/35/20/85/278352085.db2.gz BVFWVIGMVFFPCL-BXUZGUMPSA-N 0 3 279.340 1.576 10 5 CDBEHN COC[C@](C)(CCO)NCc1cccc([N+](=O)[O-])c1 ZINC000175855756 315907754 /nfs/dbraw/zinc/90/77/54/315907754.db2.gz ZBQZLMSTGMZWJY-ZDUSSCGKSA-N 0 3 268.313 1.472 10 5 CDBEHN CC[NH2+]C(C)(C)C(=O)Nc1ccc([O-])cc1[N+](=O)[O-] ZINC000061289958 519907315 /nfs/dbraw/zinc/90/73/15/519907315.db2.gz NANREKDKORYENN-UHFFFAOYSA-N 0 3 267.285 1.627 10 5 CDBEHN CCN[C@H](CCSc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000062596632 520194807 /nfs/dbraw/zinc/19/48/07/520194807.db2.gz JOBVLPWHQMULQV-LLVKDONJSA-N 0 3 283.353 1.540 10 5 CDBEHN CCCN1CCN(Cc2cc([N+](=O)[O-])ccc2N)CC1 ZINC000050792092 519858732 /nfs/dbraw/zinc/85/87/32/519858732.db2.gz GQIVTIZMJONQIT-UHFFFAOYSA-N 0 3 278.356 1.705 10 5 CDBEHN CCCNC(=O)[C@H](C)Oc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516475 519893602 /nfs/dbraw/zinc/89/36/02/519893602.db2.gz UDKUXZIBJWUZCJ-VIFPVBQESA-N 0 3 281.312 1.347 10 5 CDBEHN CCNC(C)(C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000061291950 519907179 /nfs/dbraw/zinc/90/71/79/519907179.db2.gz TUYABUWADXUNJW-UHFFFAOYSA-N 0 3 281.312 1.930 10 5 CDBEHN CN[C@](C)(C[C@@H](C)Oc1cccc(C)c1[N+](=O)[O-])C(N)=O ZINC000068651406 522519878 /nfs/dbraw/zinc/51/98/78/522519878.db2.gz DAPUKIZGUWPZQO-QMTHXVAHSA-N 0 3 295.339 1.524 10 5 CDBEHN CNc1c(C(=O)N2CC[C@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000161480406 522537165 /nfs/dbraw/zinc/53/71/65/522537165.db2.gz KSAOLAJJWUSBAC-JTQLQIEISA-N 0 3 292.339 1.413 10 5 CDBEHN Cc1cccc(C(=O)N2[C@H](C)CNC[C@@H]2C)c1[N+](=O)[O-] ZINC000069133165 524187920 /nfs/dbraw/zinc/18/79/20/524187920.db2.gz VLQRGBRSBWJTHE-PHIMTYICSA-N 0 3 277.324 1.726 10 5 CDBEHN C[C@H]1CNC[C@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000069132968 524697038 /nfs/dbraw/zinc/69/70/38/524697038.db2.gz BSWXHTDVLFHEOS-QWRGUYRKSA-N 0 3 277.324 1.346 10 5 CDBEHN C[C@@](N)(C(=O)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000052943224 525746013 /nfs/dbraw/zinc/74/60/13/525746013.db2.gz SEZRBNRWJPSHCA-ZDUSSCGKSA-N 0 3 263.297 1.338 10 5 CDBEHN CCc1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813111605 617346355 /nfs/dbraw/zinc/34/63/55/617346355.db2.gz VPJOHDBZYHNRTA-SNVBAGLBSA-N 0 3 251.282 2.000 10 5 CDBEHN CC(COC(=O)c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000813107309 1163813726 /nfs/dbraw/zinc/81/37/26/1163813726.db2.gz OZJRYZZGZMZTRH-SSDOTTSWSA-N 0 3 254.198 1.417 10 5 CDBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)C(F)F ZINC001699225719 1176151873 /nfs/dbraw/zinc/15/18/73/1176151873.db2.gz IVXHXMAHNRZBRV-UPHRSURJSA-N 0 3 299.277 1.622 10 5 CDBEHN CCCCCCN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001699712178 1176579541 /nfs/dbraw/zinc/57/95/41/1176579541.db2.gz JAATXVDFEITVNF-CHWSQXEVSA-N 0 3 283.372 1.375 10 5 CDBEHN CC(COC(=O)CCc1nc2ccccc2o1)[N+](=O)[O-] ZINC000813110672 822650512 /nfs/dbraw/zinc/65/05/12/822650512.db2.gz HGCZXQRJVPLLIY-SECBINFHSA-N 0 3 278.264 1.969 10 5 CDBEHN CC(C)(F)CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000872216870 823962490 /nfs/dbraw/zinc/96/24/90/823962490.db2.gz HHZQILISIHZXQK-NSHDSACASA-N 0 3 256.277 1.966 10 5 CDBEHN CCC(=O)c1ccc(OCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813101620 824378688 /nfs/dbraw/zinc/37/86/88/824378688.db2.gz FQGHIBBDHXPMDM-SNVBAGLBSA-N 0 3 295.291 1.867 10 5 CDBEHN CC(COC(=O)Cc1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813112958 828720023 /nfs/dbraw/zinc/72/00/23/828720023.db2.gz MOFLUXQVGUVAQK-MRVPVSSYSA-N 0 3 268.225 1.346 10 5 CDBEHN Cc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000928444776 825282953 /nfs/dbraw/zinc/28/29/53/825282953.db2.gz MIXFBEGJXUMALW-GXFFZTMASA-N 0 3 277.324 1.726 10 5 CDBEHN CO[C@@H](C)c1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813102941 826701011 /nfs/dbraw/zinc/70/10/11/826701011.db2.gz WOXMLJUDKLEAGS-SVRRBLITSA-N 0 3 288.325 1.981 10 5 CDBEHN CC(COC(=O)[C@@H](C)Cn1ncc2ccccc21)[N+](=O)[O-] ZINC000813114134 826852210 /nfs/dbraw/zinc/85/22/10/826852210.db2.gz MVALXSBKCPRJNQ-WDEREUQCSA-N 0 3 291.307 1.881 10 5 CDBEHN C[C@@H]1[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000928456820 826853516 /nfs/dbraw/zinc/85/35/16/826853516.db2.gz SKXBSLDBLALBPU-PWSUYJOCSA-N 0 3 277.324 1.346 10 5 CDBEHN CC(COC(=O)c1ccnc(OCC(F)F)c1)[N+](=O)[O-] ZINC000813112950 826893711 /nfs/dbraw/zinc/89/37/11/826893711.db2.gz MNOMNKWOFVVMHR-SSDOTTSWSA-N 0 3 290.222 1.548 10 5 CDBEHN CC(COC(=O)Cc1cn2ccccc2n1)[N+](=O)[O-] ZINC000813104807 826944400 /nfs/dbraw/zinc/94/44/00/826944400.db2.gz RWPTYNIIDMCHEG-SECBINFHSA-N 0 3 263.253 1.085 10 5 CDBEHN CC(COC(=O)c1cn(C)nc1C1CC1)[N+](=O)[O-] ZINC000813105171 827481897 /nfs/dbraw/zinc/48/18/97/827481897.db2.gz WOFDNSWFEINUOV-ZETCQYMHSA-N 0 3 253.258 1.120 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000049096528 827636954 /nfs/dbraw/zinc/63/69/54/827636954.db2.gz DSIUCDDSTFVBOS-JTQLQIEISA-N 0 3 278.312 1.001 10 5 CDBEHN CO[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000784364756 827810308 /nfs/dbraw/zinc/81/03/08/827810308.db2.gz IPNXIOOBYIJUBO-BYCMXARLSA-N 0 3 294.351 1.985 10 5 CDBEHN O=C1OCC[C@]12CCN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC001473899573 970888347 /nfs/dbraw/zinc/88/83/47/970888347.db2.gz PONRHKDVTOZJGI-AWEZNQCLSA-N 0 3 276.292 1.734 10 5 CDBEHN CC(C)[C@H](NCc1cn(C)nc1[N+](=O)[O-])C(C)(C)O ZINC001559820955 960828173 /nfs/dbraw/zinc/82/81/73/960828173.db2.gz OMDWZJUWWVSGJA-JTQLQIEISA-N 0 3 270.333 1.213 10 5 CDBEHN COc1cc(CN2CC[C@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000590010426 342519468 /nfs/dbraw/zinc/51/94/68/342519468.db2.gz IZZFDVFNYVREQJ-GXTWGEPZSA-N 0 3 291.351 1.739 10 5 CDBEHN CN1C[C@@H]2CCCN(c3cccnc3[N+](=O)[O-])[C@@H]2C1 ZINC000591830127 342648029 /nfs/dbraw/zinc/64/80/29/342648029.db2.gz MGKASBLOECBYBY-CMPLNLGQSA-N 0 3 262.313 1.520 10 5 CDBEHN C/C=C/CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000600755422 342247672 /nfs/dbraw/zinc/24/76/72/342247672.db2.gz JZTMTULVTHEQEV-VUDBWIFFSA-N 0 3 266.297 1.500 10 5 CDBEHN COc1ccc(CNC2CC(CO)C2)cc1[N+](=O)[O-] ZINC000595000332 342995062 /nfs/dbraw/zinc/99/50/62/342995062.db2.gz FEJBXJMNIKUUHW-UHFFFAOYSA-N 0 3 266.297 1.464 10 5 CDBEHN O=C1CC[C@@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])N1 ZINC000595092243 343003756 /nfs/dbraw/zinc/00/37/56/343003756.db2.gz WHSZFPUMPGTQJR-JOYOIKCWSA-N 0 3 275.308 1.450 10 5 CDBEHN COc1ccc(CNCC2CC(O)C2)cc1[N+](=O)[O-] ZINC000091524070 349770507 /nfs/dbraw/zinc/77/05/07/349770507.db2.gz SOJXISNZUZJJDR-UHFFFAOYSA-N 0 3 266.297 1.464 10 5 CDBEHN Cc1noc(CN2CC[C@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000595501109 343078413 /nfs/dbraw/zinc/07/84/13/343078413.db2.gz HNZBWEFVYHHYQQ-UWVGGRQHSA-N 0 3 266.301 1.027 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1CN[C@H](CO)C1CCC1 ZINC000595615038 343109630 /nfs/dbraw/zinc/10/96/30/343109630.db2.gz FTWOPKYZNNUZJN-CYBMUJFWSA-N 0 3 280.324 1.854 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CCC[C@@](O)(C3CC3)C2)n1 ZINC000595748657 343151783 /nfs/dbraw/zinc/15/17/83/343151783.db2.gz CAIYBPLPUHXVGU-ZDUSSCGKSA-N 0 3 280.328 1.028 10 5 CDBEHN Cc1cnc(N2CCc3nccc(N)c3C2)c([N+](=O)[O-])c1 ZINC000598942677 343924335 /nfs/dbraw/zinc/92/43/35/343924335.db2.gz OEZDOEQJHZGQPU-UHFFFAOYSA-N 0 3 285.307 1.838 10 5 CDBEHN CN1CCOC[C@H]1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599075781 343948914 /nfs/dbraw/zinc/94/89/14/343948914.db2.gz ACILJFUFFWZBQX-BXUZGUMPSA-N 0 3 291.351 1.502 10 5 CDBEHN CN(CCOc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H](C(N)=O)C1 ZINC000599645167 344112716 /nfs/dbraw/zinc/11/27/16/344112716.db2.gz PZNCHABJUIKDKT-PHIMTYICSA-N 0 3 293.323 1.169 10 5 CDBEHN CCN1CCO[C@@H](CNCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000134436658 356307135 /nfs/dbraw/zinc/30/71/35/356307135.db2.gz RVZCWMFEWYWJKS-AWEZNQCLSA-N 0 3 293.367 1.714 10 5 CDBEHN CO[C@H](C)[C@@H](C)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000290537845 357213846 /nfs/dbraw/zinc/21/38/46/357213846.db2.gz LHJDXZGHUOBAFH-GMTAPVOTSA-N 0 3 295.339 1.935 10 5 CDBEHN CO[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[C@H]1C ZINC000189257649 357989887 /nfs/dbraw/zinc/98/98/87/357989887.db2.gz HQSZOEQJNVXVCL-PWSUYJOCSA-N 0 3 268.317 1.148 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN2CCC[C@H]2C1 ZINC000194607125 358383644 /nfs/dbraw/zinc/38/36/44/358383644.db2.gz ZEARRWDZWHPSOI-LBPRGKRZSA-N 0 3 289.335 1.823 10 5 CDBEHN CO[C@@H](C)CN(CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000341567732 358661718 /nfs/dbraw/zinc/66/17/18/358661718.db2.gz RFYGBGFVSNFYLL-LBPRGKRZSA-N 0 3 297.355 1.502 10 5 CDBEHN CC(C)N(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC1 ZINC000291393929 358951066 /nfs/dbraw/zinc/95/10/66/358951066.db2.gz BLPRORNPFNDHSQ-LLVKDONJSA-N 0 3 268.317 1.291 10 5 CDBEHN Cc1ccc(OC[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000080745203 359002928 /nfs/dbraw/zinc/00/29/28/359002928.db2.gz UTDXJHOEENYINZ-JTQLQIEISA-N 0 3 252.270 1.270 10 5 CDBEHN CN(CCN(C)C1CC1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000548113218 360137448 /nfs/dbraw/zinc/13/74/48/360137448.db2.gz INCBAXBYIIOSFP-UHFFFAOYSA-N 0 3 278.312 1.156 10 5 CDBEHN CC[C@@H](Cn1cncn1)NCc1ccccc1[N+](=O)[O-] ZINC000340519655 361659584 /nfs/dbraw/zinc/65/95/84/361659584.db2.gz MDCDRUDNSZLCBD-LBPRGKRZSA-N 0 3 275.312 1.755 10 5 CDBEHN CN(C)C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000268072863 364217882 /nfs/dbraw/zinc/21/78/82/364217882.db2.gz AXBXVCOGIUPTHB-SECBINFHSA-N 0 3 266.301 1.089 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CCCSCC2)n1 ZINC000089983515 367000431 /nfs/dbraw/zinc/00/04/31/367000431.db2.gz ZFKVCWPOZGSMRJ-UHFFFAOYSA-N 0 3 256.331 1.230 10 5 CDBEHN CN(C)[C@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000170866957 369980756 /nfs/dbraw/zinc/98/07/56/369980756.db2.gz NOBDDVOLMBEBSK-LBPRGKRZSA-N 0 3 293.323 1.136 10 5 CDBEHN COc1ccc(CNC[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000089168708 370243507 /nfs/dbraw/zinc/24/35/07/370243507.db2.gz FMGLWHSGVOVAAQ-YPMHNXCESA-N 0 3 280.324 1.854 10 5 CDBEHN Cc1nc(NC[C@@H]2CCCN2C)ncc1[N+](=O)[O-] ZINC000295627954 370526823 /nfs/dbraw/zinc/52/68/23/370526823.db2.gz XAZOPKBEUANZAS-VIFPVBQESA-N 0 3 251.290 1.199 10 5 CDBEHN CC(C)[C@@](C)(CO)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000352890681 375549958 /nfs/dbraw/zinc/54/99/58/375549958.db2.gz FBJFWOIZDRFMCM-CQSZACIVSA-N 0 3 295.339 1.530 10 5 CDBEHN CNC(=O)c1ccc(NC[C@@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000140014878 376255357 /nfs/dbraw/zinc/25/53/57/376255357.db2.gz VPPQMCZTEDPHOR-NSHDSACASA-N 0 3 292.339 1.461 10 5 CDBEHN Cc1ccnc(N2CCN3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000246811958 379668404 /nfs/dbraw/zinc/66/84/04/379668404.db2.gz OCLDTEWUPWYRNU-NSHDSACASA-N 0 3 262.313 1.583 10 5 CDBEHN O=[N+]([O-])c1ccc(NC[C@@H]2CCCCN2CCO)cc1 ZINC000450618547 251370699 /nfs/dbraw/zinc/37/06/99/251370699.db2.gz SUEJJURCJRJJIP-AWEZNQCLSA-N 0 3 279.340 1.854 10 5 CDBEHN Cc1cc([N+](=O)[O-])cnc1N1CCN2CCC[C@H]2C1 ZINC000246219422 392010569 /nfs/dbraw/zinc/01/05/69/392010569.db2.gz YLGKGFFAANZKMI-NSHDSACASA-N 0 3 262.313 1.583 10 5 CDBEHN Cc1cc(N2CCO[C@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000284556292 393193077 /nfs/dbraw/zinc/19/30/77/393193077.db2.gz MZLPARJQPAGQSZ-GJZGRUSLSA-N 0 3 291.351 1.813 10 5 CDBEHN COCCN1CCC[C@@H]1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000178209870 140000996 /nfs/dbraw/zinc/00/09/96/140000996.db2.gz LCODPLSYVBWNFI-GFCCVEGCSA-N 0 3 294.355 1.821 10 5 CDBEHN CCN1CCC[C@H](NC(=O)c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000040691008 174377232 /nfs/dbraw/zinc/37/72/32/174377232.db2.gz CDPMJNQHOMIZKL-NSHDSACASA-N 0 3 295.314 1.948 10 5 CDBEHN O=C(CNCC1CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000043474434 175054370 /nfs/dbraw/zinc/05/43/70/175054370.db2.gz RRNTXXPTVDUYTO-UHFFFAOYSA-N 0 3 267.260 1.672 10 5 CDBEHN CCNCc1cc([N+](=O)[O-])ccc1O[C@H]1CCN(C)C1=O ZINC000071182979 176058244 /nfs/dbraw/zinc/05/82/44/176058244.db2.gz YICIQMJDDYCBDV-ZDUSSCGKSA-N 0 3 293.323 1.314 10 5 CDBEHN CN(C[C@H]1CCN(C)C1)C(=O)c1ccc([N+](=O)[O-])c(N)c1 ZINC000071193197 176075319 /nfs/dbraw/zinc/07/53/19/176075319.db2.gz QBKAQXMYCQLOOL-JTQLQIEISA-N 0 3 292.339 1.201 10 5 CDBEHN CC[C@H](Cn1cncn1)NCc1ccc([N+](=O)[O-])cc1 ZINC000353254010 276575910 /nfs/dbraw/zinc/57/59/10/276575910.db2.gz LVBBYKBQIWCDKO-GFCCVEGCSA-N 0 3 275.312 1.755 10 5 CDBEHN C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)CCN1C ZINC000525029526 281115046 /nfs/dbraw/zinc/11/50/46/281115046.db2.gz HEPLYJAIFZNUNL-WDEREUQCSA-N 0 3 294.355 1.488 10 5 CDBEHN COC[C@@H](C)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000527356150 281131018 /nfs/dbraw/zinc/13/10/18/281131018.db2.gz ZLKLTMUOBSTQOR-LBPRGKRZSA-N 0 3 294.355 1.394 10 5 CDBEHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCCC2)n1 ZINC000576806163 317209074 /nfs/dbraw/zinc/20/90/74/317209074.db2.gz JGXHNZMIPRKZQP-SNVBAGLBSA-N 0 3 295.343 1.025 10 5 CDBEHN CNCc1cnn(Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000054719168 522149004 /nfs/dbraw/zinc/14/90/04/522149004.db2.gz VRIINTFRZUAWDD-UHFFFAOYSA-N 0 3 276.296 1.568 10 5 CDBEHN COCCN(C)CCNc1cc(F)ccc1[N+](=O)[O-] ZINC000061379482 523612758 /nfs/dbraw/zinc/61/27/58/523612758.db2.gz OPJKJMDZKXWSOU-UHFFFAOYSA-N 0 3 271.292 1.724 10 5 CDBEHN COCCN(Cc1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000050816136 523750348 /nfs/dbraw/zinc/75/03/48/523750348.db2.gz XZOYDVCEIADZOH-UHFFFAOYSA-N 0 3 265.313 1.788 10 5 CDBEHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050815296 524342331 /nfs/dbraw/zinc/34/23/31/524342331.db2.gz FAIDLXVCSOGION-GXSJLCMTSA-N 0 3 292.339 1.263 10 5 CDBEHN C[C@@H]1CNC[C@@H](C)N1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000069133069 525095709 /nfs/dbraw/zinc/09/57/09/525095709.db2.gz HECBMNQWFZLERL-IDDPWSFUSA-N 0 3 289.335 1.817 10 5 CDBEHN Cc1cc(NC(=O)c2ccnc(NN)c2)ccc1[N+](=O)[O-] ZINC000051120219 525254366 /nfs/dbraw/zinc/25/43/66/525254366.db2.gz NXCVZFJKYVKPGB-UHFFFAOYSA-N 0 3 287.279 1.836 10 5 CDBEHN Cc1cc(NC(=O)c2cc[nH]c(=NN)c2)ccc1[N+](=O)[O-] ZINC000051120219 525254374 /nfs/dbraw/zinc/25/43/74/525254374.db2.gz NXCVZFJKYVKPGB-UHFFFAOYSA-N 0 3 287.279 1.836 10 5 CDBEHN Cc1ccc([N-]S(=O)(=O)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000049641286 525295845 /nfs/dbraw/zinc/29/58/45/525295845.db2.gz XRJXZNDGGBMCRP-NSHDSACASA-N 0 3 299.352 1.397 10 5 CDBEHN CC(C)[C@@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000762216317 576630348 /nfs/dbraw/zinc/63/03/48/576630348.db2.gz UFGWKXZRFVFKRK-GFCCVEGCSA-N 0 3 280.328 1.306 10 5 CDBEHN CC(COC(=O)Cc1cccc2cccnc21)[N+](=O)[O-] ZINC000813112162 617346687 /nfs/dbraw/zinc/34/66/87/617346687.db2.gz CUFNRXYHHNGLLD-JTQLQIEISA-N 0 3 274.276 1.986 10 5 CDBEHN C[C@@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000928455030 619119429 /nfs/dbraw/zinc/11/94/29/619119429.db2.gz OQUDMRRDYRRILL-ZWNOBZJWSA-N 0 3 277.324 1.346 10 5 CDBEHN Cc1c(C(=O)N[C@@H]2CCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000928455939 619120179 /nfs/dbraw/zinc/12/01/79/619120179.db2.gz QPZTYAPMFZKPJS-ZYHUDNBSSA-N 0 3 277.324 1.726 10 5 CDBEHN Cc1[nH]cnc1CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001639890914 1166974933 /nfs/dbraw/zinc/97/49/33/1166974933.db2.gz ZNSKQTRGNMBOFM-UHFFFAOYSA-N 0 3 288.307 1.528 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@H]2C)c1 ZINC000928447945 833137284 /nfs/dbraw/zinc/13/72/84/833137284.db2.gz MCPKFORXXGQWQH-CMPLNLGQSA-N 0 3 277.324 1.726 10 5 CDBEHN Cc1c(CNC[C@@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC000113164692 829311435 /nfs/dbraw/zinc/31/14/35/829311435.db2.gz GIEAWZHGZSRKNA-CYBMUJFWSA-N 0 3 279.340 1.323 10 5 CDBEHN O=C1O[C@H](CNCc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000848578503 830411682 /nfs/dbraw/zinc/41/16/82/830411682.db2.gz QGZWFFNAMDNXDC-CYBMUJFWSA-N 0 3 291.307 1.668 10 5 CDBEHN COC(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1C ZINC000850390532 832914782 /nfs/dbraw/zinc/91/47/82/832914782.db2.gz YMFFTTZCHLYDBR-UHFFFAOYSA-N 0 3 281.312 1.691 10 5 CDBEHN CC(C)Cn1cc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813113752 832960494 /nfs/dbraw/zinc/96/04/94/832960494.db2.gz USDRPBBBZKECEY-SECBINFHSA-N 0 3 255.274 1.361 10 5 CDBEHN Cc1ccc([C@H](C)NCC[S@](C)=O)cc1[N+](=O)[O-] ZINC000131382962 834303298 /nfs/dbraw/zinc/30/32/98/834303298.db2.gz KBOPAWVPUOVNGD-XTZNXHDOSA-N 0 3 270.354 1.932 10 5 CDBEHN CC(COC(=O)c1cnn(C(C)(C)C)c1)[N+](=O)[O-] ZINC000813114846 834350183 /nfs/dbraw/zinc/35/01/83/834350183.db2.gz XABURZNHGFSDPV-QMMMGPOBSA-N 0 3 255.274 1.460 10 5 CDBEHN CC(COC(=O)Cc1c(F)cccc1F)[N+](=O)[O-] ZINC000813104949 835318899 /nfs/dbraw/zinc/31/88/99/835318899.db2.gz HWDVBBJANXZFNF-SSDOTTSWSA-N 0 3 259.208 1.716 10 5 CDBEHN C[C@H](NC[C@@H](O)C1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000930208484 835333738 /nfs/dbraw/zinc/33/37/38/835333738.db2.gz QTFXWDDEPBDJON-GXFFZTMASA-N 0 3 280.324 1.521 10 5 CDBEHN CN1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000161456779 926148016 /nfs/dbraw/zinc/14/80/16/926148016.db2.gz FQUXGDNHNRTLAI-JTQLQIEISA-N 0 3 292.339 1.391 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN(C)[C@H]2C)n1 ZINC000719627496 934856548 /nfs/dbraw/zinc/85/65/48/934856548.db2.gz VNDMXSQWDWNTKR-UWVGGRQHSA-N 0 3 250.302 1.803 10 5 CDBEHN Cc1c([C@H](C)NCCOCCCO)cccc1[N+](=O)[O-] ZINC000353957787 948841377 /nfs/dbraw/zinc/84/13/77/948841377.db2.gz RGQHUIFSXNSPNS-LBPRGKRZSA-N 0 3 282.340 1.953 10 5 CDBEHN O=c1[n-]ccc(NC[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001559300686 965430896 /nfs/dbraw/zinc/43/08/96/965430896.db2.gz BBSDIFCEWMJWPQ-JTQLQIEISA-N 0 3 278.312 1.449 10 5 CDBEHN CCN1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)[C@@H](C)C1 ZINC000588068969 342492132 /nfs/dbraw/zinc/49/21/32/342492132.db2.gz SKNIPBNAFVLIAT-JTQLQIEISA-N 0 3 294.355 1.200 10 5 CDBEHN O=[N+]([O-])c1ccc(OCCNC[C@H](O)C(F)(F)F)cc1 ZINC000236527705 342054814 /nfs/dbraw/zinc/05/48/14/342054814.db2.gz VJESHECHDXJTQE-JTQLQIEISA-N 0 3 294.229 1.486 10 5 CDBEHN O=[N+]([O-])c1cc(CN[C@@H](CO)C2CCC2)cs1 ZINC000594955605 342983026 /nfs/dbraw/zinc/98/30/26/342983026.db2.gz CUMRJGZHQKGZLG-JTQLQIEISA-N 0 3 256.327 1.907 10 5 CDBEHN Cc1c([C@H](C)NC[C@@H]2CCC(=O)N2)cccc1[N+](=O)[O-] ZINC000595088853 343003281 /nfs/dbraw/zinc/00/32/81/343003281.db2.gz DXFMHPHSTSENOU-QWRGUYRKSA-N 0 3 277.324 1.832 10 5 CDBEHN N[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595260648 343014451 /nfs/dbraw/zinc/01/44/51/343014451.db2.gz HGNJJQHWAOGWAU-GHMZBOCLSA-N 0 3 267.260 1.106 10 5 CDBEHN C[C@]12COC[C@H]1CN(CCOc1ccccc1[N+](=O)[O-])C2 ZINC000595759070 343143111 /nfs/dbraw/zinc/14/31/11/343143111.db2.gz OWTFNHZCXSJBSW-DOMZBBRYSA-N 0 3 292.335 1.942 10 5 CDBEHN CC12CC(C1)CN2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595920277 343191675 /nfs/dbraw/zinc/19/16/75/343191675.db2.gz PYJSZPCTHNHGMB-AVERBVTBSA-N 0 3 292.335 1.819 10 5 CDBEHN O=c1ccn(Cc2cccc3c2CCNC3)cc1[N+](=O)[O-] ZINC000596072180 343225409 /nfs/dbraw/zinc/22/54/09/343225409.db2.gz YUAAUHWPHYEWDX-UHFFFAOYSA-N 0 3 285.303 1.451 10 5 CDBEHN C[C@H](N[C@H]1CCOC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000599079318 343955937 /nfs/dbraw/zinc/95/59/37/343955937.db2.gz DNINRWUEPFLVMS-XDTLVQLUSA-N 0 3 266.297 1.395 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N(C)C1CC1 ZINC000171108285 362629667 /nfs/dbraw/zinc/62/96/67/362629667.db2.gz IXDHHKVHSIIOFZ-VIFPVBQESA-N 0 3 292.339 1.511 10 5 CDBEHN COCCN1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2C)C1 ZINC000273353669 192123197 /nfs/dbraw/zinc/12/31/97/192123197.db2.gz BPUJZJXKQJCDNM-CQSZACIVSA-N 0 3 293.367 1.714 10 5 CDBEHN O=[N+]([O-])c1ccc2ncnc(N3CCN4CCC3CC4)c2c1 ZINC000615727552 348653179 /nfs/dbraw/zinc/65/31/79/348653179.db2.gz CLAZCKWMLJNDGX-UHFFFAOYSA-N 0 3 299.334 1.822 10 5 CDBEHN CN1C[C@@H]2CCCN(c3ncccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425277946 283206068 /nfs/dbraw/zinc/20/60/68/283206068.db2.gz DBYCGOHYZMUWCZ-CMPLNLGQSA-N 0 3 262.313 1.520 10 5 CDBEHN CC(C)(C)[C@H](O)C[C@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000283798896 357601563 /nfs/dbraw/zinc/60/15/63/357601563.db2.gz AEXZGHMSTKFHPK-TZMCWYRMSA-N 0 3 296.367 1.842 10 5 CDBEHN CN(C)C[C@@H]1CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000268072856 364219796 /nfs/dbraw/zinc/21/97/96/364219796.db2.gz AXBLAKQZDBONPX-AWEZNQCLSA-N 0 3 291.351 1.690 10 5 CDBEHN C[C@H](NCCC(=O)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000037751808 370055994 /nfs/dbraw/zinc/05/59/94/370055994.db2.gz SXVLIKFKSSDYDG-JTQLQIEISA-N 0 3 265.313 1.724 10 5 CDBEHN Cc1cc(CNCCn2cc([N+](=O)[O-])cn2)cs1 ZINC000295629430 370526878 /nfs/dbraw/zinc/52/68/78/370526878.db2.gz HMWHWVWGDDVPLL-UHFFFAOYSA-N 0 3 266.326 1.951 10 5 CDBEHN C[C@@H]1CNCCN1c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC000095069581 374864677 /nfs/dbraw/zinc/86/46/77/374864677.db2.gz LARNKPVLOBDJAL-SECBINFHSA-N 0 3 273.296 1.336 10 5 CDBEHN O=[N+]([O-])c1ccc2nc([S@](=O)C[C@H]3CCC[NH2+]3)[n-]c2c1 ZINC000095092123 285141441 /nfs/dbraw/zinc/14/14/41/285141441.db2.gz ANOGWSIGOQUXCL-SQFXPLBJSA-N 0 3 294.336 1.331 10 5 CDBEHN O=[N+]([O-])c1ccc2[n-]c([S@](=O)C[C@H]3CCC[NH2+]3)nc2c1 ZINC000095092123 285141442 /nfs/dbraw/zinc/14/14/42/285141442.db2.gz ANOGWSIGOQUXCL-SQFXPLBJSA-N 0 3 294.336 1.331 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@H]2CNCCC2(F)F)c(F)c1 ZINC000415010865 391720533 /nfs/dbraw/zinc/72/05/33/391720533.db2.gz ZBKQDRQTNOPKBO-NSHDSACASA-N 0 3 289.257 1.821 10 5 CDBEHN COC(=O)[C@@](C)(O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000429685086 393084718 /nfs/dbraw/zinc/08/47/18/393084718.db2.gz LZZLFZZGSZTVFW-YGRLFVJLSA-N 0 3 296.323 1.478 10 5 CDBEHN C[C@@H]1COCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000277304755 393129723 /nfs/dbraw/zinc/12/97/23/393129723.db2.gz COJQTONUACIUKW-SKDRFNHKSA-N 0 3 293.323 1.208 10 5 CDBEHN CN(C)CCOCCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000234278556 140229676 /nfs/dbraw/zinc/22/96/76/140229676.db2.gz HGKPLHBJNTUUTH-UHFFFAOYSA-N 0 3 293.327 1.461 10 5 CDBEHN C[C@@H](CO)[C@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000358788410 158026665 /nfs/dbraw/zinc/02/66/65/158026665.db2.gz GCDINIMAJACIFW-DCAQKATOSA-N 0 3 295.339 1.528 10 5 CDBEHN CN1CC[C@@H]2OCCN(Cc3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000284643664 196102193 /nfs/dbraw/zinc/10/21/93/196102193.db2.gz OESMFECOWFICQQ-NEPJUHHUSA-N 0 3 297.380 1.561 10 5 CDBEHN CCNCc1ccc(O[C@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC000043641273 175084714 /nfs/dbraw/zinc/08/47/14/175084714.db2.gz QDFMZYACOWUREY-SECBINFHSA-N 0 3 282.296 1.645 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CNCC(C)(C)O ZINC000078514836 177348566 /nfs/dbraw/zinc/34/85/66/177348566.db2.gz QSKVPNWYSQODFU-UHFFFAOYSA-N 0 3 254.286 1.464 10 5 CDBEHN CCN1CCCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000347138407 276165300 /nfs/dbraw/zinc/16/53/00/276165300.db2.gz YABWNWSFMRRVGX-UHFFFAOYSA-N 0 3 250.302 1.522 10 5 CDBEHN Cc1cc([N+](=O)[O-])cnc1N1CCO[C@H](CN(C)C)C1 ZINC000108951665 280664814 /nfs/dbraw/zinc/66/48/14/280664814.db2.gz RQPMOYXEZZRUQR-GFCCVEGCSA-N 0 3 280.328 1.065 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](N(C)C)C1 ZINC000194577575 281257770 /nfs/dbraw/zinc/25/77/70/281257770.db2.gz PZVHYGZXFDZOBD-NSHDSACASA-N 0 3 277.324 1.679 10 5 CDBEHN CCCN1CCN(c2ccc([N+](=O)[O-])cc2N)CC1 ZINC000052840079 519860148 /nfs/dbraw/zinc/86/01/48/519860148.db2.gz PTQZXZVLKQGMQG-UHFFFAOYSA-N 0 3 264.329 1.709 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(OC[C@@H](C)O)c1 ZINC000050516961 520001720 /nfs/dbraw/zinc/00/17/20/520001720.db2.gz DUIMZRKLUWEILJ-SECBINFHSA-N 0 3 254.286 1.464 10 5 CDBEHN CCN[C@@](C)(C[C@@H](C)Oc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000068651522 520141385 /nfs/dbraw/zinc/14/13/85/520141385.db2.gz AVSZUIJLUAXTTG-YGRLFVJLSA-N 0 3 295.339 1.606 10 5 CDBEHN CCC[C@@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943241 520721083 /nfs/dbraw/zinc/72/10/83/520721083.db2.gz DQQNWCSEPXKFTC-LLVKDONJSA-N 0 3 251.286 1.338 10 5 CDBEHN CCNC(=O)COc1cc(CNC(C)C)ccc1[N+](=O)[O-] ZINC000050517208 521738489 /nfs/dbraw/zinc/73/84/89/521738489.db2.gz LUDNHGCXEDWDJT-UHFFFAOYSA-N 0 3 295.339 1.608 10 5 CDBEHN CNC(C)(C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000061316131 521942445 /nfs/dbraw/zinc/94/24/45/521942445.db2.gz CEHGQAOBRJZXCP-UHFFFAOYSA-N 0 3 267.285 1.540 10 5 CDBEHN CN(Cc1ccc(N)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000050815880 523262372 /nfs/dbraw/zinc/26/23/72/523262372.db2.gz KJVOPVDRGCCMDE-LLVKDONJSA-N 0 3 265.313 1.788 10 5 CDBEHN CN(Cc1ccc(N)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000050814131 523263584 /nfs/dbraw/zinc/26/35/84/523263584.db2.gz BIBQHQFZEWWOLI-UHFFFAOYSA-N 0 3 265.313 1.788 10 5 CDBEHN CN1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CC(=O)N3)C1 ZINC000049086097 523989500 /nfs/dbraw/zinc/98/95/00/523989500.db2.gz OLJCIHBTDYSWHW-VIFPVBQESA-N 0 3 276.296 1.205 10 5 CDBEHN C[C@@H]1CNC[C@@H](C)N1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000069133060 525094729 /nfs/dbraw/zinc/09/47/29/525094729.db2.gz QBNTYEPJXOUWEX-ZOUVEMKTSA-N 0 3 289.335 1.817 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC1(CO)CCC1 ZINC000183640871 525565838 /nfs/dbraw/zinc/56/58/38/525565838.db2.gz FBIQNUHSRBYUOW-UHFFFAOYSA-N 0 3 250.298 1.908 10 5 CDBEHN NCc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[C@H]2O)c1 ZINC000050516321 527259683 /nfs/dbraw/zinc/25/96/83/527259683.db2.gz NSDCBJOVMWJVEH-GHMZBOCLSA-N 0 3 252.270 1.346 10 5 CDBEHN CC(COC(=O)C[C@@H](C)NC(=O)C1CCCC1)[N+](=O)[O-] ZINC000813113024 617347234 /nfs/dbraw/zinc/34/72/34/617347234.db2.gz WLHWTAZYAFRNCW-ZJUUUORDSA-N 0 3 286.328 1.280 10 5 CDBEHN COc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928457020 619121151 /nfs/dbraw/zinc/12/11/51/619121151.db2.gz NZPRMGNEZLCSDT-GXSJLCMTSA-N 0 3 293.323 1.426 10 5 CDBEHN C[C@]1(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CN2CCC1CC2 ZINC000912380443 629952884 /nfs/dbraw/zinc/95/28/84/629952884.db2.gz SGIXREUUYUDRLC-ZDUSSCGKSA-N 0 3 278.312 1.137 10 5 CDBEHN NC(=O)[C@@H]1CCCC[C@@H]1NCc1cccnc1[N+](=O)[O-] ZINC001645210828 1167374899 /nfs/dbraw/zinc/37/48/99/1167374899.db2.gz YRGQIHOEPHOMTA-MNOVXSKESA-N 0 3 278.312 1.124 10 5 CDBEHN C[C@]12COC[C@H]1CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852533810 835755451 /nfs/dbraw/zinc/75/54/51/835755451.db2.gz DMSRPIRWLNGREJ-YUELXQCFSA-N 0 3 292.335 1.597 10 5 CDBEHN COCCCOc1ccc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813105395 835822175 /nfs/dbraw/zinc/82/21/75/835822175.db2.gz YRJAWLCOJAJEMH-SNVBAGLBSA-N 0 3 298.295 1.319 10 5 CDBEHN CO[C@@H]1CCC[C@@H](CC(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813102170 836041883 /nfs/dbraw/zinc/04/18/83/836041883.db2.gz CDLXULCUJSGICC-GMTAPVOTSA-N 0 3 259.302 1.790 10 5 CDBEHN CC(COC(=O)[C@@H](C)Oc1ccc(F)cc1)[N+](=O)[O-] ZINC000813110679 836047716 /nfs/dbraw/zinc/04/77/16/836047716.db2.gz HKWWOUFYQLCQAH-DTWKUNHWSA-N 0 3 271.244 1.801 10 5 CDBEHN CC(COC(=O)c1ccc(C(F)(F)F)cn1)[N+](=O)[O-] ZINC000813114420 836639098 /nfs/dbraw/zinc/63/90/98/836639098.db2.gz RHNIJXKVYGZVTH-ZCFIWIBFSA-N 0 3 278.186 1.922 10 5 CDBEHN C[C@@H](O)CNCc1ccc(Br)cc1[N+](=O)[O-] ZINC000164830576 836892928 /nfs/dbraw/zinc/89/29/28/836892928.db2.gz YFMJISUUMQVRTJ-SSDOTTSWSA-N 0 3 289.129 1.828 10 5 CDBEHN Cc1cc(C(=O)N[C@H]2CCN(C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000928444777 837073867 /nfs/dbraw/zinc/07/38/67/837073867.db2.gz MIXFBEGJXUMALW-MFKMUULPSA-N 0 3 277.324 1.726 10 5 CDBEHN CCOc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813107880 837837314 /nfs/dbraw/zinc/83/73/14/837837314.db2.gz RJQLSWIJEBGXHS-VIFPVBQESA-N 0 3 253.254 1.907 10 5 CDBEHN CC(COC(=O)[C@H](C)Cn1ncc2ccccc21)[N+](=O)[O-] ZINC000813114128 839181839 /nfs/dbraw/zinc/18/18/39/839181839.db2.gz MVALXSBKCPRJNQ-GHMZBOCLSA-N 0 3 291.307 1.881 10 5 CDBEHN O=[N+]([O-])c1cc(OC[C@@H]2CNCCO2)ccc1Cl ZINC000310984771 839247129 /nfs/dbraw/zinc/24/71/29/839247129.db2.gz UOIZYZWELAHNTP-VIFPVBQESA-N 0 3 272.688 1.615 10 5 CDBEHN Cc1cnc(N[C@@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000719620807 840122129 /nfs/dbraw/zinc/12/21/29/840122129.db2.gz AMEZQLHDSMRMMB-NXEZZACHSA-N 0 3 250.302 1.803 10 5 CDBEHN C[C@@H]1[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000719383013 841277718 /nfs/dbraw/zinc/27/77/18/841277718.db2.gz YFUOGOTZODQCNN-LDYMZIIASA-N 0 3 281.287 1.556 10 5 CDBEHN Cc1nn(C)c(Cl)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112145 841808022 /nfs/dbraw/zinc/80/80/22/841808022.db2.gz CJDRRMXVAOZPNH-YFKPBYRVSA-N 0 3 261.665 1.204 10 5 CDBEHN CN(CCO[C@@H]1CCOC1)CCc1ccccc1[N+](=O)[O-] ZINC000930440507 842325644 /nfs/dbraw/zinc/32/56/44/842325644.db2.gz NXHDUYJCIGXAPB-CQSZACIVSA-N 0 3 294.351 1.875 10 5 CDBEHN CC/C=C\CCN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001277593176 943074668 /nfs/dbraw/zinc/07/46/68/943074668.db2.gz CUUZSQIKWIAIQX-DIABFLQPSA-N 0 3 281.356 1.151 10 5 CDBEHN C[C@H](NCC[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC001341079296 963268945 /nfs/dbraw/zinc/26/89/45/963268945.db2.gz TZMMWEFHSLMVMZ-KWBADKCTSA-N 0 3 250.298 1.806 10 5 CDBEHN CN1CCN(CCCNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601100799 342464015 /nfs/dbraw/zinc/46/40/15/342464015.db2.gz HVORZIZECFMVGN-UHFFFAOYSA-N 0 3 297.334 1.178 10 5 CDBEHN CN(C)CCOCCNc1ncc(F)cc1[N+](=O)[O-] ZINC000401174740 342481482 /nfs/dbraw/zinc/48/14/82/342481482.db2.gz ZCHHIDWMBXAQLD-UHFFFAOYSA-N 0 3 272.280 1.119 10 5 CDBEHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC(C2CC2)C1 ZINC000589656438 342511167 /nfs/dbraw/zinc/51/11/67/342511167.db2.gz COMXLHPLFBDNMM-CYBMUJFWSA-N 0 3 292.335 1.676 10 5 CDBEHN CN1C[C@H]2CCN(Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590011703 342519784 /nfs/dbraw/zinc/51/97/84/342519784.db2.gz MNKKCVQBVQMIJE-TZMCWYRMSA-N 0 3 261.325 1.731 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNCCN1CCCC1=O ZINC000565087138 365581634 /nfs/dbraw/zinc/58/16/34/365581634.db2.gz MWZDPVDMHUWXQD-UHFFFAOYSA-N 0 3 277.324 1.615 10 5 CDBEHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1C[C@@H](C(N)=O)C1 ZINC000593670094 342820819 /nfs/dbraw/zinc/82/08/19/342820819.db2.gz JPGLRAONZDKVDG-JGZJWPJOSA-N 0 3 293.323 1.347 10 5 CDBEHN Cc1nn(C[C@@H]2CNCCO2)c2ccc([N+](=O)[O-])cc12 ZINC000594699511 342944068 /nfs/dbraw/zinc/94/40/68/342944068.db2.gz XIDVKWQLPBEEHM-NSHDSACASA-N 0 3 276.296 1.241 10 5 CDBEHN CO[C@@H](CNCc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000594954364 342982955 /nfs/dbraw/zinc/98/29/55/342982955.db2.gz KSPCDMJMGDTUBN-OCCSQVGLSA-N 0 3 280.324 1.736 10 5 CDBEHN Cc1noc(CN(C)[C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000595318602 343034361 /nfs/dbraw/zinc/03/43/61/343034361.db2.gz WPOCCLAYVXMRES-LLVKDONJSA-N 0 3 280.328 1.560 10 5 CDBEHN COc1cccc([N+](=O)[O-])c1N1CC[C@@H](F)[C@H](N)C1 ZINC000596018774 343215104 /nfs/dbraw/zinc/21/51/04/343215104.db2.gz CMDRTQNHCNXENB-RKDXNWHRSA-N 0 3 269.276 1.479 10 5 CDBEHN CCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CCN(CC)C1 ZINC000596458972 343316870 /nfs/dbraw/zinc/31/68/70/343316870.db2.gz ZPWCDRWSCIMWFL-LLVKDONJSA-N 0 3 294.355 1.490 10 5 CDBEHN COc1cc(CN(C)C[C@H]2C[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000599654785 344105244 /nfs/dbraw/zinc/10/52/44/344105244.db2.gz ILQDQTUBAVSPJV-TXEJJXNPSA-N 0 3 280.324 1.806 10 5 CDBEHN O=[N+]([O-])c1cccc(OCCN2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1 ZINC000599682017 344118210 /nfs/dbraw/zinc/11/82/10/344118210.db2.gz VCXTZIXMBKGBMK-NILFDRSVSA-N 0 3 292.335 1.819 10 5 CDBEHN Cc1cc([C@@H]2NC(=O)CCC2[N+](=O)[O-])c(C)n1C ZINC000238855879 362930849 /nfs/dbraw/zinc/93/08/49/362930849.db2.gz TUYCFZQTNREGEH-JQWIXIFHSA-N 0 3 251.286 1.238 10 5 CDBEHN C[C@@H](NC[C@H](C)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000123482282 187094484 /nfs/dbraw/zinc/09/44/84/187094484.db2.gz XPCRJZFIWXKQBT-QWHCGFSZSA-N 0 3 293.367 1.966 10 5 CDBEHN CCN1CCC(N(C)c2ccncc2[N+](=O)[O-])CC1 ZINC000072281893 356727848 /nfs/dbraw/zinc/72/78/48/356727848.db2.gz SWKDPGWMXLTQEV-UHFFFAOYSA-N 0 3 264.329 1.910 10 5 CDBEHN Cc1nc(N(C)[C@H]2CCN(C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000297108886 200088055 /nfs/dbraw/zinc/08/80/55/200088055.db2.gz LQYZIFDSCJAHLE-KOLCDFICSA-N 0 3 279.344 1.612 10 5 CDBEHN CC[C@H](Cn1cncn1)NCc1ccccc1[N+](=O)[O-] ZINC000340519654 361658607 /nfs/dbraw/zinc/65/86/07/361658607.db2.gz MDCDRUDNSZLCBD-GFCCVEGCSA-N 0 3 275.312 1.755 10 5 CDBEHN COc1cc(CN[C@@H](C)[C@H](C)CO)c([N+](=O)[O-])cc1F ZINC000295715060 370586598 /nfs/dbraw/zinc/58/65/98/370586598.db2.gz KNUSWMSOXHLPRL-BDAKNGLRSA-N 0 3 286.303 1.849 10 5 CDBEHN CN(CCCN1CCN(C)CC1)c1ccncc1[N+](=O)[O-] ZINC000347299187 375438828 /nfs/dbraw/zinc/43/88/28/375438828.db2.gz YRMIERQYALOIHH-UHFFFAOYSA-N 0 3 293.371 1.064 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC1(CC(N)=O)CCC1 ZINC000354931873 375762564 /nfs/dbraw/zinc/76/25/64/375762564.db2.gz PFNUXLZNTJZLSD-UHFFFAOYSA-N 0 3 277.324 1.791 10 5 CDBEHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN2CCC[C@@H]2C1 ZINC000171584563 376834344 /nfs/dbraw/zinc/83/43/44/376834344.db2.gz OVPSGDHZUIVYDH-CQSZACIVSA-N 0 3 289.335 1.444 10 5 CDBEHN CN(C)[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173500812 378482100 /nfs/dbraw/zinc/48/21/00/378482100.db2.gz JAZXLVNWMKDFBG-CYBMUJFWSA-N 0 3 277.324 1.300 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@]1(O)CCO[C@@H]1C ZINC000278557339 194042796 /nfs/dbraw/zinc/04/27/96/194042796.db2.gz CCTKGSDLZBIFTC-BXUZGUMPSA-N 0 3 280.324 1.533 10 5 CDBEHN COCC[C@@H](COC)NCc1ccc([N+](=O)[O-])cc1 ZINC000336814351 285135499 /nfs/dbraw/zinc/13/54/99/285135499.db2.gz FLCVLCRRZYVEHJ-LBPRGKRZSA-N 0 3 268.313 1.736 10 5 CDBEHN CN(Cc1cccc([N+](=O)[O-])c1)CC1(CO)CC1 ZINC000186781042 391052174 /nfs/dbraw/zinc/05/21/74/391052174.db2.gz IXSMYJXIAGTGNQ-UHFFFAOYSA-N 0 3 250.298 1.799 10 5 CDBEHN Cc1ccnc(N2CCN3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000172277530 391966525 /nfs/dbraw/zinc/96/65/25/391966525.db2.gz OCLDTEWUPWYRNU-LLVKDONJSA-N 0 3 262.313 1.583 10 5 CDBEHN O=[N+]([O-])c1cccc(CN2CC[C@H](c3nnc[nH]3)C2)c1 ZINC000425353377 393020464 /nfs/dbraw/zinc/02/04/64/393020464.db2.gz IUXUVVNKDXZSRY-NSHDSACASA-N 0 3 273.296 1.702 10 5 CDBEHN Cc1cc(N2CCN3CCC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000173913294 413323106 /nfs/dbraw/zinc/32/31/06/413323106.db2.gz JOVVPWSDBGNOJJ-LLVKDONJSA-N 0 3 262.313 1.583 10 5 CDBEHN CC(C)(C)[C@@H](O)C[C@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000284201558 196002660 /nfs/dbraw/zinc/00/26/60/196002660.db2.gz YYHCNJSDLJUVTE-OCCSQVGLSA-N 0 3 296.367 1.842 10 5 CDBEHN CO[C@H]1C[C@@H](N(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000285359503 196260176 /nfs/dbraw/zinc/26/01/76/196260176.db2.gz LTTUEOKCKQFIEZ-MJBXVCDLSA-N 0 3 280.324 1.737 10 5 CDBEHN CCN1CCC[C@@H](NCc2ccc([N+](=O)[O-])o2)C1 ZINC000040502790 174298997 /nfs/dbraw/zinc/29/89/97/174298997.db2.gz FOLSDWWNJDIMBQ-SNVBAGLBSA-N 0 3 253.302 1.762 10 5 CDBEHN CCN[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000043300920 175001427 /nfs/dbraw/zinc/00/14/27/175001427.db2.gz GCKJDHUEZFKMCX-GWCFXTLKSA-N 0 3 298.364 1.680 10 5 CDBEHN CCNCc1ccc(O[C@H]2CCN(C)C2=O)c([N+](=O)[O-])c1 ZINC000071182831 176058178 /nfs/dbraw/zinc/05/81/78/176058178.db2.gz MJMCANAELIFODU-ZDUSSCGKSA-N 0 3 293.323 1.314 10 5 CDBEHN C[C@@H]1CN(CCNCc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000071792516 176263375 /nfs/dbraw/zinc/26/33/75/176263375.db2.gz XHEPQRQZKNEKRB-CHWSQXEVSA-N 0 3 293.367 1.794 10 5 CDBEHN C[C@H]1NC(=O)CC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000392942030 270336134 /nfs/dbraw/zinc/33/61/34/270336134.db2.gz QBPTVCJCKBUQSS-MWLCHTKSSA-N 0 3 263.297 1.352 10 5 CDBEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000392942033 270336194 /nfs/dbraw/zinc/33/61/94/270336194.db2.gz QBPTVCJCKBUQSS-ONGXEEELSA-N 0 3 263.297 1.352 10 5 CDBEHN COc1cccc(N2CCO[C@H](CN(C)C)C2)c1[N+](=O)[O-] ZINC000185378941 278016453 /nfs/dbraw/zinc/01/64/53/278016453.db2.gz CZADQDPVCYSUKY-LLVKDONJSA-N 0 3 295.339 1.370 10 5 CDBEHN CNCc1cc([N+](=O)[O-])ccc1OC[C@@H](O)C(F)(F)F ZINC000068876685 522114391 /nfs/dbraw/zinc/11/43/91/522114391.db2.gz OUJXLEZKHNMLEC-SNVBAGLBSA-N 0 3 294.229 1.616 10 5 CDBEHN CC(C)NCc1ccc([N+](=O)[O-])c(OC[C@H](C)C(N)=O)c1 ZINC000050517194 519727138 /nfs/dbraw/zinc/72/71/38/519727138.db2.gz DYNOEOJCPNEYQE-JTQLQIEISA-N 0 3 295.339 1.593 10 5 CDBEHN CC(C)[C@@H](CN(C)C)Nc1ccc([N+](=O)[O-])cn1 ZINC000049218320 519794104 /nfs/dbraw/zinc/79/41/04/519794104.db2.gz AGBRJWLHWZMZID-LLVKDONJSA-N 0 3 252.318 1.988 10 5 CDBEHN CCOCCOc1cc(CNCCOC)ccc1[N+](=O)[O-] ZINC000062733373 520038607 /nfs/dbraw/zinc/03/86/07/520038607.db2.gz RCOPSRSCOOUUMK-UHFFFAOYSA-N 0 3 298.339 1.746 10 5 CDBEHN CCOc1cc(N2CCN[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000111045308 520750688 /nfs/dbraw/zinc/75/06/88/520750688.db2.gz MAMANBDAOFETBT-SNVBAGLBSA-N 0 3 265.313 1.792 10 5 CDBEHN CCOC(=O)COc1cc(CNC)ccc1[N+](=O)[O-] ZINC000050516797 520801232 /nfs/dbraw/zinc/80/12/32/520801232.db2.gz UJERQEVFORBSSN-UHFFFAOYSA-N 0 3 268.269 1.256 10 5 CDBEHN CNC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000061316150 521942736 /nfs/dbraw/zinc/94/27/36/521942736.db2.gz YTPBAQNJNPOVHN-UHFFFAOYSA-N 0 3 267.285 1.540 10 5 CDBEHN COC(=O)[C@H](C)CNCc1cccc([N+](=O)[O-])c1 ZINC000052926353 523870630 /nfs/dbraw/zinc/87/06/30/523870630.db2.gz FTZQBYCRORUSHO-SECBINFHSA-N 0 3 252.270 1.494 10 5 CDBEHN C[C@H]1CNC[C@H](C)N1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000069133007 524697609 /nfs/dbraw/zinc/69/76/09/524697609.db2.gz MVULXWQTCKBBFM-IUCAKERBSA-N 0 3 281.287 1.556 10 5 CDBEHN Cc1cc(OCC[C@H](NC2CC2)C(N)=O)ccc1[N+](=O)[O-] ZINC000062539995 525371926 /nfs/dbraw/zinc/37/19/26/525371926.db2.gz XPVIPVPJMQZLIK-LBPRGKRZSA-N 0 3 293.323 1.278 10 5 CDBEHN N=C(N)c1ncccc1COc1ccc([N+](=O)[O-])c(F)c1 ZINC000061658851 526826163 /nfs/dbraw/zinc/82/61/63/526826163.db2.gz JPMLHXASRHQKSK-UHFFFAOYSA-N 0 3 290.254 1.992 10 5 CDBEHN NCc1ccc([N+](=O)[O-])c(OC2CCOCC2)c1 ZINC000069289263 527258164 /nfs/dbraw/zinc/25/81/64/527258164.db2.gz BCVGQHYFMJTTTR-UHFFFAOYSA-N 0 3 252.270 1.611 10 5 CDBEHN CN(C)C[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000263919365 535958136 /nfs/dbraw/zinc/95/81/36/535958136.db2.gz NXYUGOKMNCOMBA-CQSZACIVSA-N 0 3 291.351 1.690 10 5 CDBEHN Cc1sc(C(=O)N[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000286605869 538408278 /nfs/dbraw/zinc/40/82/78/538408278.db2.gz AJHIUTCFCPVHRY-ZETCQYMHSA-N 0 3 271.342 1.645 10 5 CDBEHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(OC)c1 ZINC000813108651 617345189 /nfs/dbraw/zinc/34/51/89/617345189.db2.gz JHLBTPWRDCFORO-QMMMGPOBSA-N 0 3 269.253 1.526 10 5 CDBEHN CC(COC(=O)c1cnn(CCC(F)(F)F)c1)[N+](=O)[O-] ZINC000813108457 617345270 /nfs/dbraw/zinc/34/52/70/617345270.db2.gz GEYHGNJPYQHWHN-ZETCQYMHSA-N 0 3 295.217 1.658 10 5 CDBEHN CC(COC(=O)c1cnn(C)c1C(F)F)[N+](=O)[O-] ZINC000813109642 617345360 /nfs/dbraw/zinc/34/53/60/617345360.db2.gz VAHUEFNPYMZKQX-YFKPBYRVSA-N 0 3 263.200 1.180 10 5 CDBEHN COC(=O)[C@@H]1CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813110000 617345722 /nfs/dbraw/zinc/34/57/22/617345722.db2.gz YIDPCJKAXRZHAM-OPRDCNLKSA-N 0 3 273.285 1.174 10 5 CDBEHN C[C@H]1[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000928430206 619006176 /nfs/dbraw/zinc/00/61/76/619006176.db2.gz FQOLCJNCDDOKBL-JOYOIKCWSA-N 0 3 295.314 1.485 10 5 CDBEHN CCc1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928437859 619080046 /nfs/dbraw/zinc/08/00/46/619080046.db2.gz JCDJEDCRGMLLNM-MFKMUULPSA-N 0 3 291.351 1.980 10 5 CDBEHN C[C@@H]1[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000905649101 626898977 /nfs/dbraw/zinc/89/89/77/626898977.db2.gz MDLOGKLPIDFPQN-SKDRFNHKSA-N 0 3 294.380 1.974 10 5 CDBEHN CC(COC(=O)COc1ccc2c(c1)CCC2)[N+](=O)[O-] ZINC000813110105 844082754 /nfs/dbraw/zinc/08/27/54/844082754.db2.gz SLHLHDYGDDPVDI-SNVBAGLBSA-N 0 3 279.292 1.763 10 5 CDBEHN C[C@H](NC[C@H](O)C1(O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000930595714 844381728 /nfs/dbraw/zinc/38/17/28/844381728.db2.gz XPMZPHBXUGUKGC-GWCFXTLKSA-N 0 3 280.324 1.521 10 5 CDBEHN C[C@]12COC[C@H]1CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852533809 844553482 /nfs/dbraw/zinc/55/34/82/844553482.db2.gz DMSRPIRWLNGREJ-SNPRPXQTSA-N 0 3 292.335 1.597 10 5 CDBEHN COCCCOc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813115298 843820506 /nfs/dbraw/zinc/82/05/06/843820506.db2.gz OQJBGGRVZGPRSN-LLVKDONJSA-N 0 3 297.307 1.924 10 5 CDBEHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CNCCO1 ZINC000852744811 844683568 /nfs/dbraw/zinc/68/35/68/844683568.db2.gz IXMNQZOBHNXVFT-LBPRGKRZSA-N 0 3 299.758 1.668 10 5 CDBEHN CC(COC(=O)/C=C/c1ccc(Cl)nc1)[N+](=O)[O-] ZINC000813105473 844875378 /nfs/dbraw/zinc/87/53/78/844875378.db2.gz ZRQPLIAUYVCXPX-RYEJSQLPSA-N 0 3 270.672 1.957 10 5 CDBEHN Cc1cc(C)n([C@H](C)CC(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813102564 845263538 /nfs/dbraw/zinc/26/35/38/845263538.db2.gz RWXSGPWWWZENCS-MNOVXSKESA-N 0 3 269.301 1.659 10 5 CDBEHN COC(=O)C1=CC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000862464998 845439027 /nfs/dbraw/zinc/43/90/27/845439027.db2.gz MAGVNFVTZAYHAE-GFCCVEGCSA-N 0 3 276.292 1.946 10 5 CDBEHN C[C@H](NC[C@@H](O)C1(O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000930595715 846393330 /nfs/dbraw/zinc/39/33/30/846393330.db2.gz XPMZPHBXUGUKGC-GXFFZTMASA-N 0 3 280.324 1.521 10 5 CDBEHN CN1C[C@@H](CNCc2cc([N+](=O)[O-])ccc2Cl)CC1=O ZINC000723568145 847391378 /nfs/dbraw/zinc/39/13/78/847391378.db2.gz UURIONDWQZNMFQ-SECBINFHSA-N 0 3 297.742 1.816 10 5 CDBEHN CC(COC(=O)CCCOc1cccnc1)[N+](=O)[O-] ZINC000813104085 847927172 /nfs/dbraw/zinc/92/71/72/847927172.db2.gz JSDPAPYBLCATJC-SNVBAGLBSA-N 0 3 268.269 1.449 10 5 CDBEHN O=[N+]([O-])c1ccc(CCN2CCN3C[C@@H](F)C[C@H]3C2)cc1 ZINC001176778225 914248443 /nfs/dbraw/zinc/24/84/43/914248443.db2.gz UEFYMAWSYUFIAQ-ZFWWWQNUSA-N 0 3 293.342 1.865 10 5 CDBEHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@]12CCOC2 ZINC001176976708 914412913 /nfs/dbraw/zinc/41/29/13/914412913.db2.gz FSMPXEYWMMDGPN-CQSZACIVSA-N 0 3 294.355 1.745 10 5 CDBEHN O=[N+]([O-])c1ccc(N2CC(N[C@@H]3CCOC3)C2)c(F)c1 ZINC001187739622 920640538 /nfs/dbraw/zinc/64/05/38/920640538.db2.gz BYYJEHAMZLAPKT-SECBINFHSA-N 0 3 281.287 1.301 10 5 CDBEHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC12CCOCC2 ZINC000618318403 349435954 /nfs/dbraw/zinc/43/59/54/349435954.db2.gz XRXKXHCHSRBXAU-UHFFFAOYSA-N 0 3 293.323 1.011 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000590442705 342546246 /nfs/dbraw/zinc/54/62/46/342546246.db2.gz AGLOGPFRYBZKFW-AAEUAGOBSA-N 0 3 289.335 1.679 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590442711 342546297 /nfs/dbraw/zinc/54/62/97/342546297.db2.gz AGLOGPFRYBZKFW-YPMHNXCESA-N 0 3 289.335 1.679 10 5 CDBEHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H]1C1CC1 ZINC000453011263 398209238 /nfs/dbraw/zinc/20/92/38/398209238.db2.gz HMWBIKPVZWKWHV-STQMWFEESA-N 0 3 292.335 1.819 10 5 CDBEHN COC(=O)CC1(NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000565051707 365579318 /nfs/dbraw/zinc/57/93/18/365579318.db2.gz QUPSTUATZNDJMH-UHFFFAOYSA-N 0 3 294.307 1.659 10 5 CDBEHN CN1C[C@H](NCc2ccc(Cl)c([N+](=O)[O-])c2)CCC1=O ZINC000096811852 185116078 /nfs/dbraw/zinc/11/60/78/185116078.db2.gz CUFVPXWDAOJNHD-SNVBAGLBSA-N 0 3 297.742 1.959 10 5 CDBEHN Cc1ccc(C(=O)N[C@@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000401733486 342643624 /nfs/dbraw/zinc/64/36/24/342643624.db2.gz PVEHTSBDXDCPBP-VIFPVBQESA-N 0 3 291.229 1.523 10 5 CDBEHN COc1ccc(CNCC[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000404209014 349768641 /nfs/dbraw/zinc/76/86/41/349768641.db2.gz OROYYEIXBFNRNC-AWEZNQCLSA-N 0 3 296.323 1.235 10 5 CDBEHN COc1cc(CN[C@H](CO)C2CCC2)ccc1[N+](=O)[O-] ZINC000595618615 343110895 /nfs/dbraw/zinc/11/08/95/343110895.db2.gz YVSNPMJEVKRWAC-GFCCVEGCSA-N 0 3 280.324 1.854 10 5 CDBEHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](CCF)C1 ZINC000595755298 343141452 /nfs/dbraw/zinc/14/14/52/343141452.db2.gz KIJAUCQEDNBJCB-LBPRGKRZSA-N 0 3 297.330 1.828 10 5 CDBEHN O=[N+]([O-])c1cccc(OCCN2CC[C@H]3COC[C@@H]3C2)c1 ZINC000595835107 343170804 /nfs/dbraw/zinc/17/08/04/343170804.db2.gz ULAZOKHMEOSAIE-STQMWFEESA-N 0 3 292.335 1.942 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN(C)CC1CN(C)C1 ZINC000597204715 343473940 /nfs/dbraw/zinc/47/39/40/343473940.db2.gz DZOYTFYETSSDIQ-UHFFFAOYSA-N 0 3 263.341 1.897 10 5 CDBEHN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C)C1 ZINC000597946577 343676002 /nfs/dbraw/zinc/67/60/02/343676002.db2.gz PSBXZVBQMXNKCM-CQSZACIVSA-N 0 3 291.351 1.690 10 5 CDBEHN CC(C)(C)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000597925864 343663423 /nfs/dbraw/zinc/66/34/23/343663423.db2.gz XLBDITQQVWPBGJ-JTQLQIEISA-N 0 3 292.339 1.592 10 5 CDBEHN COC(=O)c1ccnc(NCCN2CCCC2)c1[N+](=O)[O-] ZINC000598590116 343836964 /nfs/dbraw/zinc/83/69/64/343836964.db2.gz QUYAMEQSTVNQPQ-UHFFFAOYSA-N 0 3 294.311 1.284 10 5 CDBEHN C[C@@H](NC[C@H]1COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000599075868 343949352 /nfs/dbraw/zinc/94/93/52/343949352.db2.gz ALLKDPNTYPPZJB-RISCZKNCSA-N 0 3 279.340 1.576 10 5 CDBEHN Cc1c([C@H](C)NC[C@H]2COCCN2C)cccc1[N+](=O)[O-] ZINC000599082579 343957195 /nfs/dbraw/zinc/95/71/95/343957195.db2.gz WITRAPRQXTWUHR-STQMWFEESA-N 0 3 293.367 1.884 10 5 CDBEHN C[C@@H](CO)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000121428890 346050146 /nfs/dbraw/zinc/05/01/46/346050146.db2.gz HFFIKCROYASJQN-MNOVXSKESA-N 0 3 280.328 1.104 10 5 CDBEHN COc1cc(N2CC(N(C)C)C2)c([N+](=O)[O-])cc1F ZINC000273270789 192095500 /nfs/dbraw/zinc/09/55/00/192095500.db2.gz HOVAWCLJRNEUCW-UHFFFAOYSA-N 0 3 269.276 1.493 10 5 CDBEHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[C@@H]2O)cc1 ZINC000089162862 346159045 /nfs/dbraw/zinc/15/90/45/346159045.db2.gz WKFLAXVNJWFUBJ-AAEUAGOBSA-N 0 3 250.298 1.845 10 5 CDBEHN COC[C@@](C)(CO)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000611479881 346798093 /nfs/dbraw/zinc/79/80/93/346798093.db2.gz KVXFYQZRIVDGGL-HZRUHFOJSA-N 0 3 280.324 1.595 10 5 CDBEHN CCN1CCCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000344445781 362780137 /nfs/dbraw/zinc/78/01/37/362780137.db2.gz YLKYMKLBFLDJHN-UHFFFAOYSA-N 0 3 250.302 1.522 10 5 CDBEHN O=c1[nH]c2ccc(N3CCNCC3)nc2c2ccccc21 ZINC000013524003 356675763 /nfs/dbraw/zinc/67/57/63/356675763.db2.gz JZJBZCAAHYFICB-UHFFFAOYSA-N 0 3 280.331 1.898 10 5 CDBEHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000341071944 366439861 /nfs/dbraw/zinc/43/98/61/366439861.db2.gz SPXYDAOUMHCQGX-QWRGUYRKSA-N 0 3 294.355 1.916 10 5 CDBEHN O=[N+]([O-])c1ccc(CNCC2(CCO)CC2)cc1 ZINC000157342990 237100527 /nfs/dbraw/zinc/10/05/27/237100527.db2.gz IPDIIPSFHAOYMS-UHFFFAOYSA-N 0 3 250.298 1.847 10 5 CDBEHN O=[N+]([O-])c1cccc(CNCC2(CCO)CC2)c1 ZINC000157352621 237100553 /nfs/dbraw/zinc/10/05/53/237100553.db2.gz LJNANBDRXQHFKO-UHFFFAOYSA-N 0 3 250.298 1.847 10 5 CDBEHN CN(C)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000170863633 369978199 /nfs/dbraw/zinc/97/81/99/369978199.db2.gz WSOBMKSZMVRIKW-LBPRGKRZSA-N 0 3 263.297 1.371 10 5 CDBEHN C[C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CCN1 ZINC000081588884 374526635 /nfs/dbraw/zinc/52/66/35/374526635.db2.gz BFQYUHKPNKMMNL-VIFPVBQESA-N 0 3 273.296 1.336 10 5 CDBEHN COC[C@](C)(O)CCNCc1ccc([N+](=O)[O-])cc1F ZINC000449384635 374804056 /nfs/dbraw/zinc/80/40/56/374804056.db2.gz NVZXPDFPBHHROW-CYBMUJFWSA-N 0 3 286.303 1.611 10 5 CDBEHN O=[N+]([O-])c1ccc([S@](=O)C[C@H]2CCCCN2)nc1 ZINC000095091954 374868748 /nfs/dbraw/zinc/86/87/48/374868748.db2.gz RQFHXVLYFBOWJQ-LZVRBXCZSA-N 0 3 269.326 1.240 10 5 CDBEHN COc1cc(CN(CCO)C(C)C)ccc1[N+](=O)[O-] ZINC000351971152 375053492 /nfs/dbraw/zinc/05/34/92/375053492.db2.gz PWFFUKHZGYLYGQ-UHFFFAOYSA-N 0 3 268.313 1.806 10 5 CDBEHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1C ZINC000266032451 190225002 /nfs/dbraw/zinc/22/50/02/190225002.db2.gz AGLNFGHVPRZKQC-UWVGGRQHSA-N 0 3 280.328 1.478 10 5 CDBEHN O=[N+]([O-])c1ccccc1N1CCCN(CCO)CC1 ZINC000071349615 285162789 /nfs/dbraw/zinc/16/27/89/285162789.db2.gz MAOXNBUCQPBSKL-UHFFFAOYSA-N 0 3 265.313 1.099 10 5 CDBEHN N[C@@H]1CCC[C@@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942372 177905440 /nfs/dbraw/zinc/90/54/40/177905440.db2.gz BSSWITUMDKYRRL-MNOVXSKESA-N 0 3 270.310 1.248 10 5 CDBEHN CC(=O)[C@](C)(O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000450932251 390580629 /nfs/dbraw/zinc/58/06/29/390580629.db2.gz CEARISWHRUGKHT-CQSZACIVSA-N 0 3 280.324 1.409 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)CN(C)C ZINC000289944094 390942166 /nfs/dbraw/zinc/94/21/66/390942166.db2.gz BHGWOIBXEPGSFJ-NSHDSACASA-N 0 3 251.330 1.943 10 5 CDBEHN Cc1cnc(N2CC[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000266215008 391670749 /nfs/dbraw/zinc/67/07/49/391670749.db2.gz OPAYIWSGVXEBRG-SNVBAGLBSA-N 0 3 250.302 1.439 10 5 CDBEHN CCN1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000302018656 393195891 /nfs/dbraw/zinc/19/58/91/393195891.db2.gz ZPZZPFBXIWBOBD-UHFFFAOYSA-N 0 3 290.327 1.170 10 5 CDBEHN CN(C)CCOCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000226738029 140181748 /nfs/dbraw/zinc/18/17/48/140181748.db2.gz BELJMYDFANSZGC-UHFFFAOYSA-N 0 3 288.735 1.633 10 5 CDBEHN CCN1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000105807532 147226734 /nfs/dbraw/zinc/22/67/34/147226734.db2.gz YTYYSPOBTXKXOQ-CYBMUJFWSA-N 0 3 291.351 1.738 10 5 CDBEHN Cc1nn(C)c(Oc2ccccc2[N+](=O)[O-])c1CN ZINC000038080685 174090399 /nfs/dbraw/zinc/09/03/99/174090399.db2.gz MBAFQPQMRHRQDQ-UHFFFAOYSA-N 0 3 262.269 1.888 10 5 CDBEHN CCc1ccc(NC(=O)[C@@H]2C[C@H](OC)CN2)cc1[N+](=O)[O-] ZINC000040633662 174359958 /nfs/dbraw/zinc/35/99/58/174359958.db2.gz NHHKYHUCBFMZQM-RYUDHWBXSA-N 0 3 293.323 1.473 10 5 CDBEHN N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043299772 175000522 /nfs/dbraw/zinc/00/05/22/175000522.db2.gz HWNUAVRVWIVCLQ-GXSJLCMTSA-N 0 3 270.310 1.029 10 5 CDBEHN CN1CCCC[C@@H]1CNC(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000044564362 175207187 /nfs/dbraw/zinc/20/71/87/175207187.db2.gz CLTKXIQDTMIYBS-LLVKDONJSA-N 0 3 295.314 1.948 10 5 CDBEHN N[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000070987162 176018523 /nfs/dbraw/zinc/01/85/23/176018523.db2.gz GAJXHRVWKDEYAF-UFBFGSQYSA-N 0 3 265.269 1.341 10 5 CDBEHN CCN[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1=O ZINC000071034360 176024241 /nfs/dbraw/zinc/02/42/41/176024241.db2.gz CEMOPCMGPQZBLN-LLVKDONJSA-N 0 3 263.297 1.305 10 5 CDBEHN CO[C@@H](C)[C@@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000290413827 274057067 /nfs/dbraw/zinc/05/70/67/274057067.db2.gz ADHPAKPXAQGJJA-MXWKQRLJSA-N 0 3 295.339 1.935 10 5 CDBEHN COc1cccc(N2CCN3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000185379764 278016389 /nfs/dbraw/zinc/01/63/89/278016389.db2.gz IARVFVHMJDSBND-LLVKDONJSA-N 0 3 277.324 1.888 10 5 CDBEHN C[NH2+]C(C)(C)C(=O)Nc1ccc([O-])cc1[N+](=O)[O-] ZINC000061300591 521942556 /nfs/dbraw/zinc/94/25/56/521942556.db2.gz WWIJXBYGAUVVSX-UHFFFAOYSA-N 0 3 253.258 1.237 10 5 CDBEHN CNC(C)(C)C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000061300326 521932184 /nfs/dbraw/zinc/93/21/84/521932184.db2.gz DFGLVADAZHFTNN-UHFFFAOYSA-N 0 3 251.286 1.556 10 5 CDBEHN CN[C@@](C)(C[C@@H](C)Oc1cccc([N+](=O)[O-])c1C)C(N)=O ZINC000068651275 522416102 /nfs/dbraw/zinc/41/61/02/522416102.db2.gz BWEKCQYTIHOFPA-OTYXRUKQSA-N 0 3 295.339 1.524 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1[C@H](C)CNC[C@@H]1C ZINC000069132536 525560970 /nfs/dbraw/zinc/56/09/70/525560970.db2.gz UBFBVXGVDUCLKZ-PHIMTYICSA-N 0 3 277.324 1.726 10 5 CDBEHN COC(=O)[C@@H]1CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813109999 617345794 /nfs/dbraw/zinc/34/57/94/617345794.db2.gz YIDPCJKAXRZHAM-IVZWLZJFSA-N 0 3 273.285 1.174 10 5 CDBEHN CC(COC(=O)COC/C=C\c1ccccc1)[N+](=O)[O-] ZINC000813111847 617346437 /nfs/dbraw/zinc/34/64/37/617346437.db2.gz AUYXXKNBGAKKJC-VVEJJEBESA-N 0 3 279.292 1.925 10 5 CDBEHN COc1ccc2c(c1)[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2 ZINC000813113932 617347700 /nfs/dbraw/zinc/34/77/00/617347700.db2.gz WLZHJQTWCNLCAW-SKDRFNHKSA-N 0 3 279.292 1.933 10 5 CDBEHN C[C@H]1[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CCN1C ZINC000928442772 619087806 /nfs/dbraw/zinc/08/78/06/619087806.db2.gz BYIMTICVFROBNK-QWRGUYRKSA-N 0 3 292.339 1.216 10 5 CDBEHN Cc1noc(CN(C)Cc2cn[nH]c2C)c1[N+](=O)[O-] ZINC001644090951 1167293604 /nfs/dbraw/zinc/29/36/04/1167293604.db2.gz SMERNAZXCSAOSZ-UHFFFAOYSA-N 0 3 265.273 1.555 10 5 CDBEHN CC(COC(=O)CSC[C@@H]1CCCCO1)[N+](=O)[O-] ZINC000813108795 698047821 /nfs/dbraw/zinc/04/78/21/698047821.db2.gz LTZOHJHNUGHDIH-ZJUUUORDSA-N 0 3 277.342 1.497 10 5 CDBEHN Cc1nc(CCC(=O)OCC(C)[N+](=O)[O-])cs1 ZINC000813106552 1163814757 /nfs/dbraw/zinc/81/47/57/1163814757.db2.gz DIJNIGVPCSFTQY-ZETCQYMHSA-N 0 3 258.299 1.593 10 5 CDBEHN O=C1O[C@@H](CNCc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000848578504 698748463 /nfs/dbraw/zinc/74/84/63/698748463.db2.gz QGZWFFNAMDNXDC-ZDUSSCGKSA-N 0 3 291.307 1.668 10 5 CDBEHN CC(COC(=O)[C@H](C)Sc1ccccn1)[N+](=O)[O-] ZINC000813115631 698930502 /nfs/dbraw/zinc/93/05/02/698930502.db2.gz WTCMXLOQTPGLQB-IUCAKERBSA-N 0 3 270.310 1.771 10 5 CDBEHN CC(COC(=O)C1=Cc2ccccc2OC1)[N+](=O)[O-] ZINC000813110131 704894466 /nfs/dbraw/zinc/89/44/66/704894466.db2.gz ZUJGCGQURQJPMU-VIFPVBQESA-N 0 3 263.249 1.671 10 5 CDBEHN CC(COC(=O)c1ccc(N2CCOCC2)cc1)[N+](=O)[O-] ZINC000813114663 704961538 /nfs/dbraw/zinc/96/15/38/704961538.db2.gz FHZHOPWDGBXMNJ-LLVKDONJSA-N 0 3 294.307 1.345 10 5 CDBEHN CC(COC(=O)c1cccc(N2CCCC2=O)c1)[N+](=O)[O-] ZINC000813102715 704988008 /nfs/dbraw/zinc/98/80/08/704988008.db2.gz JLADWPNDLATBSE-SNVBAGLBSA-N 0 3 292.291 1.635 10 5 CDBEHN CN(CC1CN(C)C1)c1ccc([N+](=O)[O-])c2nonc21 ZINC000853825299 848423372 /nfs/dbraw/zinc/42/33/72/848423372.db2.gz IPEUDHGMVOUVAN-UHFFFAOYSA-N 0 3 277.284 1.129 10 5 CDBEHN CN1CCOC[C@@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000700116065 848936854 /nfs/dbraw/zinc/93/68/54/848936854.db2.gz HOTHFTTWTBITSJ-LBPRGKRZSA-N 0 3 299.758 1.668 10 5 CDBEHN C[C@H](CO)[C@H](C)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000167066045 849348901 /nfs/dbraw/zinc/34/89/01/849348901.db2.gz OJQNFYNAPNBCCJ-BDAKNGLRSA-N 0 3 256.277 1.840 10 5 CDBEHN CC(COC(=O)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813110221 849368744 /nfs/dbraw/zinc/36/87/44/849368744.db2.gz VDUUJDVCZBADCP-SSDOTTSWSA-N 0 3 254.198 1.417 10 5 CDBEHN Cc1ccc(CNC[C@@H](O)Cn2cccn2)cc1[N+](=O)[O-] ZINC000872231286 849515292 /nfs/dbraw/zinc/51/52/92/849515292.db2.gz HFSKKBFBSMSGOS-CYBMUJFWSA-N 0 3 290.323 1.250 10 5 CDBEHN CCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CCN(C)C1 ZINC000855359802 849525954 /nfs/dbraw/zinc/52/59/54/849525954.db2.gz CJMRXRLOAPPPLM-NSHDSACASA-N 0 3 292.339 1.343 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C)[C@H]2C)c1 ZINC000928447947 849817633 /nfs/dbraw/zinc/81/76/33/849817633.db2.gz MCPKFORXXGQWQH-JQWIXIFHSA-N 0 3 277.324 1.726 10 5 CDBEHN Cc1ccc(OCC(=O)OCC(C)[N+](=O)[O-])cc1C ZINC000813113241 850111200 /nfs/dbraw/zinc/11/12/00/850111200.db2.gz XWPVGMBUOMICLI-NSHDSACASA-N 0 3 267.281 1.891 10 5 CDBEHN CO[C@@H]1CCC[C@H](CC(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813102168 850337179 /nfs/dbraw/zinc/33/71/79/850337179.db2.gz CDLXULCUJSGICC-GARJFASQSA-N 0 3 259.302 1.790 10 5 CDBEHN CC(C)(C)[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC001473896871 970884251 /nfs/dbraw/zinc/88/42/51/970884251.db2.gz IWKVJRSMWYJVIC-GFCCVEGCSA-N 0 3 296.371 1.928 10 5 CDBEHN CC(C)(C)[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC001473896872 970885815 /nfs/dbraw/zinc/88/58/15/970885815.db2.gz IWKVJRSMWYJVIC-LBPRGKRZSA-N 0 3 296.371 1.928 10 5 CDBEHN O=[N+]([O-])c1cc(F)cnc1N1CC[C@H](N2CCCC2)C1 ZINC000601111258 342468755 /nfs/dbraw/zinc/46/87/55/342468755.db2.gz PUGRPEDMEFLBEQ-NSHDSACASA-N 0 3 280.303 1.803 10 5 CDBEHN CN1CCC[C@]2(CCN(c3ccncc3[N+](=O)[O-])C2)C1 ZINC000590141905 342522667 /nfs/dbraw/zinc/52/26/67/342522667.db2.gz IHGUMWVYMGULHH-AWEZNQCLSA-N 0 3 276.340 1.912 10 5 CDBEHN COc1ccc(CN[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000609287741 342100330 /nfs/dbraw/zinc/10/03/30/342100330.db2.gz ZJFGWCMDUGCOTL-GFCCVEGCSA-N 0 3 279.340 1.787 10 5 CDBEHN CC(C)(CNCc1cccc([N+](=O)[O-])c1)[C@@]1(O)CCOC1 ZINC000592375611 342686872 /nfs/dbraw/zinc/68/68/72/342686872.db2.gz WPNSBLYJBJPLTN-OAHLLOKOSA-N 0 3 294.351 1.862 10 5 CDBEHN C[C@H](N[C@H]1C[C@@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000593717811 342828517 /nfs/dbraw/zinc/82/85/17/342828517.db2.gz NNQFDOHLFBWEKS-INTQDDNPSA-N 0 3 263.297 1.509 10 5 CDBEHN O=[N+]([O-])c1cnccc1N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594597030 342923846 /nfs/dbraw/zinc/92/38/46/342923846.db2.gz CDGXUJPDCVDRBW-AAEUAGOBSA-N 0 3 276.340 1.841 10 5 CDBEHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000594923695 342988548 /nfs/dbraw/zinc/98/85/48/342988548.db2.gz FNACKMWOSZWXCB-YUSALJHKSA-N 0 3 278.308 1.882 10 5 CDBEHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](F)[C@H](N)C2)c1 ZINC000595260931 343014648 /nfs/dbraw/zinc/01/46/48/343014648.db2.gz NSPVHNCNZBLBCI-GHMZBOCLSA-N 0 3 297.286 1.115 10 5 CDBEHN O=[N+]([O-])c1ccc(CNCC[C@@]2(O)CCOC2)cc1 ZINC000404174021 349767834 /nfs/dbraw/zinc/76/78/34/349767834.db2.gz QPUFOPJNUUKYCS-CYBMUJFWSA-N 0 3 266.297 1.226 10 5 CDBEHN CN(CC1CN(C)C1)c1ccc([N+](=O)[O-])c(N)c1F ZINC000596454239 343324694 /nfs/dbraw/zinc/32/46/94/343324694.db2.gz QUIRRXHBASECSK-UHFFFAOYSA-N 0 3 268.292 1.314 10 5 CDBEHN C[C@@H](CO)[C@@H](C)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000273921871 192363251 /nfs/dbraw/zinc/36/32/51/192363251.db2.gz BJJSDZOPIRSTHV-AXFHLTTASA-N 0 3 295.339 1.528 10 5 CDBEHN CCOc1ccc([N+](=O)[O-])cc1CNCC1COC1 ZINC000599012255 343939961 /nfs/dbraw/zinc/93/99/61/343939961.db2.gz QMNCRNBDMGWKEJ-UHFFFAOYSA-N 0 3 266.297 1.730 10 5 CDBEHN CC[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000599100547 343954630 /nfs/dbraw/zinc/95/46/30/343954630.db2.gz JBKLZYTVXFQYCX-VHSXEESVSA-N 0 3 299.352 1.014 10 5 CDBEHN O=[N+]([O-])c1ccc(CNCC[C@@]2(O)CCOC2)c(F)c1 ZINC000404169600 346626713 /nfs/dbraw/zinc/62/67/13/346626713.db2.gz SUKFOJLDOXCIQR-CYBMUJFWSA-N 0 3 284.287 1.365 10 5 CDBEHN O=[N+]([O-])c1ccc(CNC[C@H]2CCCC[C@@H]2O)o1 ZINC000085963290 179204607 /nfs/dbraw/zinc/20/46/07/179204607.db2.gz HKIODWRGVLOODI-KOLCDFICSA-N 0 3 254.286 1.829 10 5 CDBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CCC(N)=O ZINC000016420383 348527936 /nfs/dbraw/zinc/52/79/36/348527936.db2.gz QFOOSIRIHDDVET-VIFPVBQESA-N 0 3 251.286 1.463 10 5 CDBEHN COC[C@@H]1CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000293695996 362930899 /nfs/dbraw/zinc/93/08/99/362930899.db2.gz WSPOZZKIDSYHAN-ZDUSSCGKSA-N 0 3 250.298 1.858 10 5 CDBEHN COCCN1CCC[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000068910833 349083752 /nfs/dbraw/zinc/08/37/52/349083752.db2.gz ZEKWHKJANRZUKQ-LLVKDONJSA-N 0 3 280.328 1.513 10 5 CDBEHN O=[N+]([O-])c1cccc(OCCN2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000111314696 186396357 /nfs/dbraw/zinc/39/63/57/186396357.db2.gz YRAJJFXCEZLDBJ-ONXXMXGDSA-N 0 3 292.335 1.961 10 5 CDBEHN CN(C)[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000170874810 188700755 /nfs/dbraw/zinc/70/07/55/188700755.db2.gz KIAVVKDAJAFZES-LBPRGKRZSA-N 0 3 278.312 1.763 10 5 CDBEHN CN(C)[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000170874798 188700884 /nfs/dbraw/zinc/70/08/84/188700884.db2.gz WULONIWAODTPOU-LBPRGKRZSA-N 0 3 278.312 1.763 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1OC[C@H](O)CN(C)C1CC1 ZINC000336829754 356289767 /nfs/dbraw/zinc/28/97/67/356289767.db2.gz AVZCPASFXBHYKH-GFCCVEGCSA-N 0 3 280.324 1.737 10 5 CDBEHN CCOC(=O)C1C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000725255995 538451814 /nfs/dbraw/zinc/45/18/14/538451814.db2.gz QNQFHKGBQCZMGL-SECBINFHSA-N 0 3 250.210 1.194 10 5 CDBEHN CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)[C@H]2C1 ZINC000408146801 358184215 /nfs/dbraw/zinc/18/42/15/358184215.db2.gz VHJOBKMISZHFQC-SKDRFNHKSA-N 0 3 278.312 1.089 10 5 CDBEHN C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)CCN1C ZINC000408227049 358449136 /nfs/dbraw/zinc/44/91/36/358449136.db2.gz QPXPTMHJFRCNLN-VHSXEESVSA-N 0 3 280.328 1.478 10 5 CDBEHN CCN1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000389375290 359051036 /nfs/dbraw/zinc/05/10/36/359051036.db2.gz MEAVKGOTBBJOAX-LLVKDONJSA-N 0 3 267.304 1.918 10 5 CDBEHN CCN1CC[C@H](N(C)C(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H](C)C1 ZINC000548091094 360100318 /nfs/dbraw/zinc/10/03/18/360100318.db2.gz MXWVKBIZCANGQR-ONGXEEELSA-N 0 3 295.343 1.120 10 5 CDBEHN Cc1nc(N2CCCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000178031625 372947684 /nfs/dbraw/zinc/94/76/84/372947684.db2.gz CXMBOGWRGHSBMV-UHFFFAOYSA-N 0 3 276.340 1.973 10 5 CDBEHN Cc1nc(N2CCC[C@H]3CN(C)C[C@H]32)ncc1[N+](=O)[O-] ZINC000425278658 374433904 /nfs/dbraw/zinc/43/39/04/374433904.db2.gz DUXBXDXFSUUEOT-CMPLNLGQSA-N 0 3 277.328 1.224 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)N(C)C ZINC000299681842 375193242 /nfs/dbraw/zinc/19/32/42/375193242.db2.gz WKVZWRINBRTXDL-JTQLQIEISA-N 0 3 265.313 1.583 10 5 CDBEHN COc1ccc(CN[C@@H]2CN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000358014241 375944561 /nfs/dbraw/zinc/94/45/61/375944561.db2.gz BWBWSSRCCTXVJY-CMPLNLGQSA-N 0 3 279.340 1.643 10 5 CDBEHN CN(C)C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CCO1 ZINC000172304929 377439665 /nfs/dbraw/zinc/43/96/65/377439665.db2.gz MTTBCBMTWSPKDM-JTQLQIEISA-N 0 3 299.352 1.059 10 5 CDBEHN COc1cc(CN2CC[C@H](C)[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000442888432 392504674 /nfs/dbraw/zinc/50/46/74/392504674.db2.gz GSIMCQXHXFZEMM-GWCFXTLKSA-N 0 3 280.324 1.806 10 5 CDBEHN COCCN1CCC[C@H]1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000178209859 140001621 /nfs/dbraw/zinc/00/16/21/140001621.db2.gz LCODPLSYVBWNFI-LBPRGKRZSA-N 0 3 294.355 1.821 10 5 CDBEHN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN2CCC1CC2 ZINC000188635064 140098173 /nfs/dbraw/zinc/09/81/73/140098173.db2.gz RXDYLQJDFAIJAI-UHFFFAOYSA-N 0 3 289.335 1.444 10 5 CDBEHN CCN[C@H](Cc1ncc[nH]1)c1ccc([N+](=O)[O-])o1 ZINC000035569967 172265224 /nfs/dbraw/zinc/26/52/24/172265224.db2.gz GBKXRTRFUDBFDE-MRVPVSSYSA-N 0 3 250.258 1.804 10 5 CDBEHN Cn1ccnc1CCNCc1ccc([N+](=O)[O-])cc1 ZINC000040638903 174362962 /nfs/dbraw/zinc/36/29/62/174362962.db2.gz CODBSNZPTWEGDL-UHFFFAOYSA-N 0 3 260.297 1.661 10 5 CDBEHN CCNCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000044286690 175159154 /nfs/dbraw/zinc/15/91/54/175159154.db2.gz TZSKCHLCPRWFNJ-UHFFFAOYSA-N 0 3 257.677 1.796 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCN(C2CC2)C1 ZINC000044722725 175236854 /nfs/dbraw/zinc/23/68/54/175236854.db2.gz AQFJLICREBFKPH-GFCCVEGCSA-N 0 3 291.351 1.930 10 5 CDBEHN C[C@H]1CC[C@H](O)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000399164662 270369599 /nfs/dbraw/zinc/36/95/99/270369599.db2.gz CSZVKMZSQDDSIO-FZMZJTMJSA-N 0 3 264.325 1.983 10 5 CDBEHN C[C@@H](N[C@H]1CCc2ncnn2C1)c1ccc([N+](=O)[O-])cc1 ZINC000178223320 278388188 /nfs/dbraw/zinc/38/81/88/278388188.db2.gz UXIJGZYXCARIMF-PWSUYJOCSA-N 0 3 287.323 1.852 10 5 CDBEHN O=C(NCCN1CCCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000531898310 281865545 /nfs/dbraw/zinc/86/55/45/281865545.db2.gz VUWNUKZFGVQIKA-UHFFFAOYSA-N 0 3 292.339 1.596 10 5 CDBEHN CN(C)[C@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255101844 289355844 /nfs/dbraw/zinc/35/58/44/289355844.db2.gz QCAIJLUHAJTYPR-PODYEWJSSA-N 0 3 289.335 1.771 10 5 CDBEHN CN1CC[C@H]2OCCN(c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284484014 290237769 /nfs/dbraw/zinc/23/77/69/290237769.db2.gz GTVYMOLBOGKIGO-ZIAGYGMSSA-N 0 3 295.314 1.643 10 5 CDBEHN CNCc1cc([N+](=O)[O-])ccc1OC[C@H](O)C(F)(F)F ZINC000068876681 522113254 /nfs/dbraw/zinc/11/32/54/522113254.db2.gz OUJXLEZKHNMLEC-JTQLQIEISA-N 0 3 294.229 1.616 10 5 CDBEHN CNC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000061300439 521940312 /nfs/dbraw/zinc/94/03/12/521940312.db2.gz URLKTAOSTLBMFB-UHFFFAOYSA-N 0 3 255.249 1.670 10 5 CDBEHN CNCc1cnn(CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000054719181 522150002 /nfs/dbraw/zinc/15/00/02/522150002.db2.gz XVGOTUSKGDQTQZ-UHFFFAOYSA-N 0 3 260.297 1.753 10 5 CDBEHN COC[C@@](C)(CCO)NCCOc1cccc([N+](=O)[O-])c1 ZINC000079920477 522523401 /nfs/dbraw/zinc/52/34/01/522523401.db2.gz ZCKKXVOCLZWJNE-CQSZACIVSA-N 0 3 298.339 1.351 10 5 CDBEHN CN1CCC[C@H]1CCOc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050454643 523850180 /nfs/dbraw/zinc/85/01/80/523850180.db2.gz MNTVUDXUBYALBU-QMMMGPOBSA-N 0 3 286.719 1.901 10 5 CDBEHN C[C@H](C[C@](C)(N)C(N)=O)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000068651169 524654359 /nfs/dbraw/zinc/65/43/59/524654359.db2.gz OMXSFEWELLWJDH-KRTXAFLBSA-N 0 3 285.275 1.094 10 5 CDBEHN Cc1cc(COc2cc(CN)ccc2[N+](=O)[O-])on1 ZINC000050516209 524807442 /nfs/dbraw/zinc/80/74/42/524807442.db2.gz LTHIKTDDRSAWHR-UHFFFAOYSA-N 0 3 263.253 1.929 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1O[C@H](C)C[C@](C)(N)C(N)=O ZINC000068651330 526084606 /nfs/dbraw/zinc/08/46/06/526084606.db2.gz PSRLWCPSIMCJBR-RNCFNFMXSA-N 0 3 281.312 1.263 10 5 CDBEHN Cc1nnc(COc2cc(CN)ccc2[N+](=O)[O-])o1 ZINC000050516199 526346910 /nfs/dbraw/zinc/34/69/10/526346910.db2.gz YGDRRDQKUJQPTH-UHFFFAOYSA-N 0 3 264.241 1.324 10 5 CDBEHN NC(=O)[C@@](N)(CSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000069184501 526989665 /nfs/dbraw/zinc/98/96/65/526989665.db2.gz BRYDAEUXSRTRKF-GFCCVEGCSA-N 0 3 281.337 1.280 10 5 CDBEHN Nc1cc([N+](=O)[O-])ccc1N[C@H]1CN2CCC1CC2 ZINC000052840231 527461531 /nfs/dbraw/zinc/46/15/31/527461531.db2.gz IRNSDVWBOSYSDF-ZDUSSCGKSA-N 0 3 262.313 1.683 10 5 CDBEHN CC(COC(=O)Cc1ccc2c(c1)CCO2)[N+](=O)[O-] ZINC000813103888 617342595 /nfs/dbraw/zinc/34/25/95/617342595.db2.gz HTNIPDXHWZSUOV-VIFPVBQESA-N 0 3 265.265 1.372 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928437730 619079939 /nfs/dbraw/zinc/07/99/39/619079939.db2.gz DASVEOGECOHQRV-GXFFZTMASA-N 0 3 277.324 1.726 10 5 CDBEHN C[C@H](NC[C@H](O)c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000927137574 621795716 /nfs/dbraw/zinc/79/57/16/621795716.db2.gz QSTUKORWCUYTQQ-HZMBPMFUSA-N 0 3 290.323 1.713 10 5 CDBEHN C[C@@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000902926184 625642499 /nfs/dbraw/zinc/64/24/99/625642499.db2.gz AGSQDKXKEUGWON-LDYMZIIASA-N 0 3 296.302 1.948 10 5 CDBEHN Cc1ccc(CNC(=O)CN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC001587559639 1172991503 /nfs/dbraw/zinc/99/15/03/1172991503.db2.gz GTYYKBSFJQIIOR-NSHDSACASA-N 0 3 291.351 1.861 10 5 CDBEHN CC(COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)[N+](=O)[O-] ZINC000813109120 705490552 /nfs/dbraw/zinc/49/05/52/705490552.db2.gz FPNDDKHAJXPHGB-WDEREUQCSA-N 0 3 292.291 1.248 10 5 CDBEHN CC(COC(=O)[C@H](C)Oc1ccccc1)[N+](=O)[O-] ZINC000139755377 705597327 /nfs/dbraw/zinc/59/73/27/705597327.db2.gz HFQGKEJNMRRORU-UWVGGRQHSA-N 0 3 253.254 1.662 10 5 CDBEHN CC(COC(=O)c1cccn1Cc1ccncc1)[N+](=O)[O-] ZINC000813100061 706020212 /nfs/dbraw/zinc/02/02/12/706020212.db2.gz LFKKKNICIRRDIO-LLVKDONJSA-N 0 3 289.291 1.753 10 5 CDBEHN CC(COC(=O)c1cnn(CCC(F)(F)F)c1)[N+](=O)[O-] ZINC000813108455 709819330 /nfs/dbraw/zinc/81/93/30/709819330.db2.gz GEYHGNJPYQHWHN-SSDOTTSWSA-N 0 3 295.217 1.658 10 5 CDBEHN CO[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000784364759 710305954 /nfs/dbraw/zinc/30/59/54/710305954.db2.gz IPNXIOOBYIJUBO-TUKIKUTGSA-N 0 3 294.351 1.985 10 5 CDBEHN CSC[C@H](O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000872230992 710355454 /nfs/dbraw/zinc/35/54/54/710355454.db2.gz BXJNJMPZENHKJY-LLVKDONJSA-N 0 3 270.354 1.717 10 5 CDBEHN COc1cc(C)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109986 710387001 /nfs/dbraw/zinc/38/70/01/710387001.db2.gz YCQUIFKAEVWULL-ZCFIWIBFSA-N 0 3 259.283 1.887 10 5 CDBEHN NC(=O)[C@H]1C[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000858249266 710617928 /nfs/dbraw/zinc/61/79/28/710617928.db2.gz MYPYIQOIQBNGAA-GVJMRKKJSA-N 0 3 283.715 1.602 10 5 CDBEHN CC(COC(=O)c1ncccc1C(F)(F)F)[N+](=O)[O-] ZINC000813112622 711393707 /nfs/dbraw/zinc/39/37/07/711393707.db2.gz RTHBJONWBHGANC-LURJTMIESA-N 0 3 278.186 1.922 10 5 CDBEHN C[C@@H]1CC[C@H](O)CN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000817288703 711730706 /nfs/dbraw/zinc/73/07/06/711730706.db2.gz LGVAJYLQUNVVSU-SWHYSGLUSA-N 0 3 280.324 1.473 10 5 CDBEHN CC(COC(=O)c1cnn(C)c1C(F)(F)F)[N+](=O)[O-] ZINC000813108962 711787368 /nfs/dbraw/zinc/78/73/68/711787368.db2.gz CWBHWKFGUXXYOO-YFKPBYRVSA-N 0 3 281.190 1.261 10 5 CDBEHN Cc1cc([N+](=O)[O-])cc(C(=O)N(CCN(C)C)C(C)C)n1 ZINC001519535846 970090861 /nfs/dbraw/zinc/09/08/61/970090861.db2.gz HZZXVRTUHVMAKT-UHFFFAOYSA-N 0 3 294.355 1.710 10 5 CDBEHN O=C(Nc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCCCN1 ZINC000082259341 177932196 /nfs/dbraw/zinc/93/21/96/177932196.db2.gz XUSBLWLTHZQBPY-VIFPVBQESA-N 0 3 267.260 1.815 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590045744 342520686 /nfs/dbraw/zinc/52/06/86/342520686.db2.gz UITJIDIUNFIECH-YPMHNXCESA-N 0 3 275.308 1.371 10 5 CDBEHN Cc1ccc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590047163 342521084 /nfs/dbraw/zinc/52/10/84/342521084.db2.gz WJQNXCBKYAWOTR-JSGCOSHPSA-N 0 3 289.335 1.679 10 5 CDBEHN CN1C[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590444961 342546621 /nfs/dbraw/zinc/54/66/21/342546621.db2.gz OMLKSOBDZMXQOF-WCQYABFASA-N 0 3 275.308 1.371 10 5 CDBEHN NC[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000401778168 342747805 /nfs/dbraw/zinc/74/78/05/342747805.db2.gz OMVZCIQUUOPZJK-QMMMGPOBSA-N 0 3 292.217 1.606 10 5 CDBEHN O=[N+]([O-])c1ccc(CN2CCNC[C@@H]2C(F)F)cc1 ZINC000565657541 365692278 /nfs/dbraw/zinc/69/22/78/365692278.db2.gz CAASNTCMHWVTRG-LLVKDONJSA-N 0 3 271.267 1.634 10 5 CDBEHN CN1C[C@@H](CNCc2csc([N+](=O)[O-])c2)CC1=O ZINC000594982426 342993227 /nfs/dbraw/zinc/99/32/27/342993227.db2.gz FJZOIAKRMMWBJE-MRVPVSSYSA-N 0 3 269.326 1.224 10 5 CDBEHN O=[N+]([O-])c1cccc(CN[C@@H](CO)C2CCC2)c1 ZINC000594955530 342983047 /nfs/dbraw/zinc/98/30/47/342983047.db2.gz AULUQXRAAMVGIZ-ZDUSSCGKSA-N 0 3 250.298 1.845 10 5 CDBEHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H]2COC[C@H]2C1 ZINC000595827652 343167601 /nfs/dbraw/zinc/16/76/01/343167601.db2.gz CUQRGTLZOHXQKF-CHWSQXEVSA-N 0 3 292.335 1.942 10 5 CDBEHN COc1cccc([N+](=O)[O-])c1N1CCN[C@H](C)C1 ZINC000596016311 343219491 /nfs/dbraw/zinc/21/94/91/343219491.db2.gz PORHSAISJVALKI-SECBINFHSA-N 0 3 251.286 1.402 10 5 CDBEHN CN1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000091482710 342404465 /nfs/dbraw/zinc/40/44/65/342404465.db2.gz ZWMVSQRKGRMRLF-JTQLQIEISA-N 0 3 292.339 1.447 10 5 CDBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000597859645 343648599 /nfs/dbraw/zinc/64/85/99/343648599.db2.gz WWYWRVRGPRALMU-SECBINFHSA-N 0 3 280.328 1.526 10 5 CDBEHN CCN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])[C@H]1CCN(CC)C1 ZINC000598040474 343703148 /nfs/dbraw/zinc/70/31/48/343703148.db2.gz GAUXMQHOTOUMBL-JTQLQIEISA-N 0 3 295.343 1.183 10 5 CDBEHN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H]1CCN(CC)C1 ZINC000598040474 343703150 /nfs/dbraw/zinc/70/31/50/343703150.db2.gz GAUXMQHOTOUMBL-JTQLQIEISA-N 0 3 295.343 1.183 10 5 CDBEHN CN1CCOC[C@@H]1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599075784 343949108 /nfs/dbraw/zinc/94/91/08/343949108.db2.gz ACILJFUFFWZBQX-FZMZJTMJSA-N 0 3 291.351 1.502 10 5 CDBEHN C[C@@H](CO)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000611236109 346704068 /nfs/dbraw/zinc/70/40/68/346704068.db2.gz HFFIKCROYASJQN-GHMZBOCLSA-N 0 3 280.328 1.104 10 5 CDBEHN O=[N+]([O-])c1ccccc1CNCCCn1ccnn1 ZINC000126405316 357625839 /nfs/dbraw/zinc/62/58/39/357625839.db2.gz UCRBQZJYOHWVPH-UHFFFAOYSA-N 0 3 261.285 1.366 10 5 CDBEHN CO[C@H](C)[C@@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000290413824 366494881 /nfs/dbraw/zinc/49/48/81/366494881.db2.gz ADHPAKPXAQGJJA-GMTAPVOTSA-N 0 3 295.339 1.935 10 5 CDBEHN Cc1cccc(OC[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC000080745198 359002153 /nfs/dbraw/zinc/00/21/53/359002153.db2.gz HFTOUCXTHPJJBW-SNVBAGLBSA-N 0 3 252.270 1.270 10 5 CDBEHN CCN1CCO[C@@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000135796240 360056178 /nfs/dbraw/zinc/05/61/78/360056178.db2.gz MXRQCWQNFGYBRY-WFASDCNBSA-N 0 3 293.367 1.966 10 5 CDBEHN COCCN1CCC[C@H]1CNc1nccc(C)c1[N+](=O)[O-] ZINC000301246715 369921957 /nfs/dbraw/zinc/92/19/57/369921957.db2.gz AXUPEHDRQRALSL-LBPRGKRZSA-N 0 3 294.355 1.821 10 5 CDBEHN CN(C)[C@@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000170863702 369979402 /nfs/dbraw/zinc/97/94/02/369979402.db2.gz QCAIJLUHAJTYPR-LHRNQBEKSA-N 0 3 289.335 1.771 10 5 CDBEHN C[C@H]1C[C@H](N(C)c2ncccc2[N+](=O)[O-])CCN1C ZINC000266192450 373977566 /nfs/dbraw/zinc/97/75/66/373977566.db2.gz BTWDQHRNJOLUIJ-WDEREUQCSA-N 0 3 264.329 1.909 10 5 CDBEHN CN1CCC[C@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347433882 376143496 /nfs/dbraw/zinc/14/34/96/376143496.db2.gz RHSTZSYKLFYDQQ-JTQLQIEISA-N 0 3 287.323 1.466 10 5 CDBEHN CCN[C@@H](Cc1ncc[nH]1)c1ccc([N+](=O)[O-])o1 ZINC000035569965 172265309 /nfs/dbraw/zinc/26/53/09/172265309.db2.gz GBKXRTRFUDBFDE-QMMMGPOBSA-N 0 3 250.258 1.804 10 5 CDBEHN CO[C@H]1CN[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000040633253 174359697 /nfs/dbraw/zinc/35/96/97/174359697.db2.gz AWROOPINOXGMNG-ZYHUDNBSSA-N 0 3 279.296 1.219 10 5 CDBEHN CN1CCC[C@H](CNC(=O)c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000044538536 175200075 /nfs/dbraw/zinc/20/00/75/175200075.db2.gz ZCESULJEZIPLEG-SNVBAGLBSA-N 0 3 295.314 1.806 10 5 CDBEHN COC[C@@](C)(CCO)NCCOc1ccccc1[N+](=O)[O-] ZINC000085904264 277255698 /nfs/dbraw/zinc/25/56/98/277255698.db2.gz MBRDKKRDABXAKF-CQSZACIVSA-N 0 3 298.339 1.351 10 5 CDBEHN C[C@H]1NC(=O)CC[C@@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000282478746 280040028 /nfs/dbraw/zinc/04/00/28/280040028.db2.gz LKURJDGFFMBCLK-KCJUWKMLSA-N 0 3 281.287 1.491 10 5 CDBEHN CN(C)[C@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000133896207 289384918 /nfs/dbraw/zinc/38/49/18/289384918.db2.gz YBKUPFSRKPHPIO-JTQLQIEISA-N 0 3 281.287 1.510 10 5 CDBEHN CCN[C@@H](COc1c(C)cc(C)cc1[N+](=O)[O-])C(N)=O ZINC000050442056 520101987 /nfs/dbraw/zinc/10/19/87/520101987.db2.gz AUFRTZOECQWQBY-JTQLQIEISA-N 0 3 281.312 1.054 10 5 CDBEHN CCCn1cc([N+](=O)[O-])cc1C(=O)N1[C@H](C)CNC[C@@H]1C ZINC000069133216 521655492 /nfs/dbraw/zinc/65/54/92/521655492.db2.gz NOOITRQABNEKRL-PHIMTYICSA-N 0 3 294.355 1.629 10 5 CDBEHN CN(C)C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000061644496 521834862 /nfs/dbraw/zinc/83/48/62/521834862.db2.gz SMIWQRJOMIOBSB-NSHDSACASA-N 0 3 295.314 1.900 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(OCC(=O)NC(C)C)c1 ZINC000050516854 522124466 /nfs/dbraw/zinc/12/44/66/522124466.db2.gz IGWCNODHSYARPI-UHFFFAOYSA-N 0 3 281.312 1.218 10 5 CDBEHN Cc1cccc(C(=O)N2[C@H](C)CNC[C@H]2C)c1[N+](=O)[O-] ZINC000069133167 524188405 /nfs/dbraw/zinc/18/84/05/524188405.db2.gz VLQRGBRSBWJTHE-GHMZBOCLSA-N 0 3 277.324 1.726 10 5 CDBEHN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000183234574 525407697 /nfs/dbraw/zinc/40/76/97/525407697.db2.gz XIZFRSRGHIVOLR-LEWSCRJBSA-N 0 3 280.324 1.785 10 5 CDBEHN Cc1cc(C(=O)N2[C@H](C)CNC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000069133261 526263274 /nfs/dbraw/zinc/26/32/74/526263274.db2.gz BWEBYVUBVCVWRM-PHIMTYICSA-N 0 3 277.324 1.726 10 5 CDBEHN NCc1ccc([N+](=O)[O-])c(OC[C@@H](O)C(F)(F)F)c1 ZINC000068877403 527257590 /nfs/dbraw/zinc/25/75/90/527257590.db2.gz JJCPCHGCALZZTG-SECBINFHSA-N 0 3 280.202 1.356 10 5 CDBEHN CC(=O)c1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110337 617345621 /nfs/dbraw/zinc/34/56/21/617345621.db2.gz YCGAVOJPUHSSQI-VIFPVBQESA-N 0 3 265.265 1.640 10 5 CDBEHN COc1cccc(CO[C@H](C)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813110705 617346080 /nfs/dbraw/zinc/34/60/80/617346080.db2.gz HYZQZKHTFCASMG-GHMZBOCLSA-N 0 3 297.307 1.809 10 5 CDBEHN CCc1noc(CCCC(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813115427 617349431 /nfs/dbraw/zinc/34/94/31/617349431.db2.gz RQSHCKHHGIMEBG-MRVPVSSYSA-N 0 3 271.273 1.163 10 5 CDBEHN C[C@H]1[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000902925955 625640344 /nfs/dbraw/zinc/64/03/44/625640344.db2.gz QSJQJSWOIBRFGN-JOYOIKCWSA-N 0 3 278.312 1.809 10 5 CDBEHN CC[N@H+](C)[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001655961808 1171750089 /nfs/dbraw/zinc/75/00/89/1171750089.db2.gz WKMCCGFPQTVQAF-SECBINFHSA-N 0 3 266.301 1.226 10 5 CDBEHN CC[N@@H+](C)[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001655961808 1171750098 /nfs/dbraw/zinc/75/00/98/1171750098.db2.gz WKMCCGFPQTVQAF-SECBINFHSA-N 0 3 266.301 1.226 10 5 CDBEHN C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000928446720 711874902 /nfs/dbraw/zinc/87/49/02/711874902.db2.gz YBHTZYDMVCOXPA-PRHODGIISA-N 0 3 281.287 1.556 10 5 CDBEHN CCC(=O)c1ccc(OCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813101619 711925645 /nfs/dbraw/zinc/92/56/45/711925645.db2.gz FQGHIBBDHXPMDM-JTQLQIEISA-N 0 3 295.291 1.867 10 5 CDBEHN COc1ccc(O[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111545 712139625 /nfs/dbraw/zinc/13/96/25/712139625.db2.gz UNZFQGNBGYMVIL-NXEZZACHSA-N 0 3 283.280 1.671 10 5 CDBEHN COCc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813107157 712280441 /nfs/dbraw/zinc/28/04/41/712280441.db2.gz LFOOKXZWBXQUNG-VIFPVBQESA-N 0 3 253.254 1.655 10 5 CDBEHN CCN1CC[C@@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000712593716 909569016 /nfs/dbraw/zinc/56/90/16/909569016.db2.gz HDFVJMDGHCSVBK-SNVBAGLBSA-N 0 3 255.343 1.840 10 5 CDBEHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](CO)[C@@H](CCO)C1 ZINC001198751299 925516325 /nfs/dbraw/zinc/51/63/25/925516325.db2.gz CJRQMTYBVBWIHT-FRRDWIJNSA-N 0 3 294.351 1.579 10 5 CDBEHN CN1CCCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000161456647 926147915 /nfs/dbraw/zinc/14/79/15/926147915.db2.gz FQUXGDNHNRTLAI-SNVBAGLBSA-N 0 3 292.339 1.391 10 5 CDBEHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C)[C@H]2C)c1 ZINC000928445180 933147176 /nfs/dbraw/zinc/14/71/76/933147176.db2.gz OZWLFQIMOJGFBB-CABZTGNLSA-N 0 3 293.323 1.426 10 5 CDBEHN CC(C)N1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC001296126180 954813829 /nfs/dbraw/zinc/81/38/29/954813829.db2.gz GCZZRWAZAHSPBN-LLVKDONJSA-N 0 3 292.339 1.592 10 5 CDBEHN CCCC(=O)N(C)CCCNCc1c([N+](=O)[O-])ncn1C ZINC001322382888 960202453 /nfs/dbraw/zinc/20/24/53/960202453.db2.gz CVAPSTBOJMJEHX-UHFFFAOYSA-N 0 3 297.359 1.067 10 5 CDBEHN C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC001544079306 967336740 /nfs/dbraw/zinc/33/67/40/967336740.db2.gz LTNSRCAIKQXIID-NXEZZACHSA-N 0 3 295.343 1.311 10 5 CDBEHN C[C@H]1[C@@H](O)CCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001654759831 1171636863 /nfs/dbraw/zinc/63/68/63/1171636863.db2.gz QJLQREUZNGJHJU-BPNCWPANSA-N 0 3 280.324 1.473 10 5 CDBEHN O=[N+]([O-])c1cc(F)cnc1NC[C@@H](O)CN1CCCCC1 ZINC000601104688 342466003 /nfs/dbraw/zinc/46/60/03/342466003.db2.gz CZXXDBREDVZRDT-LLVKDONJSA-N 0 3 298.318 1.388 10 5 CDBEHN COc1ccc(CNCC[C@@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000601147181 342481907 /nfs/dbraw/zinc/48/19/07/342481907.db2.gz IPRKIPBJQUXZQS-SNVBAGLBSA-N 0 3 290.266 1.709 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CCCNC1=O ZINC000590971960 342612376 /nfs/dbraw/zinc/61/23/76/342612376.db2.gz ZYMFMKNEEGPWPU-GFCCVEGCSA-N 0 3 277.324 1.519 10 5 CDBEHN NC[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000401751524 342673100 /nfs/dbraw/zinc/67/31/00/342673100.db2.gz YCFJPTBZWLZCFR-VIFPVBQESA-N 0 3 291.229 1.143 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000592242244 342680869 /nfs/dbraw/zinc/68/08/69/342680869.db2.gz QOWVECWREOXWPB-CQSZACIVSA-N 0 3 291.351 1.973 10 5 CDBEHN CC(C)(CNCc1ccc([N+](=O)[O-])cc1)[C@]1(O)CCOC1 ZINC000592375534 342686800 /nfs/dbraw/zinc/68/68/00/342686800.db2.gz SZBHIQQWZKVNTF-HNNXBMFYSA-N 0 3 294.351 1.862 10 5 CDBEHN CO[C@](C)(CO)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594514379 342912940 /nfs/dbraw/zinc/91/29/40/342912940.db2.gz VXQQBJXBFFWOND-MFKMUULPSA-N 0 3 268.313 1.643 10 5 CDBEHN Cc1noc(CN(C)[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595349110 343045751 /nfs/dbraw/zinc/04/57/51/343045751.db2.gz YJXDZRRUWZKCLK-KOLCDFICSA-N 0 3 282.344 1.806 10 5 CDBEHN C[C@@H](CO)[C@H](C)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595429110 343058007 /nfs/dbraw/zinc/05/80/07/343058007.db2.gz LPIJJYRVMJMJHL-IUCAKERBSA-N 0 3 256.277 1.840 10 5 CDBEHN O=[N+]([O-])c1ccc(CN(C[C@H]2CNCCO2)C2CC2)cc1 ZINC000595890103 343181778 /nfs/dbraw/zinc/18/17/78/343181778.db2.gz BQNQNBNQHAFJLK-OAHLLOKOSA-N 0 3 291.351 1.548 10 5 CDBEHN CN1CCC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000604476294 344894189 /nfs/dbraw/zinc/89/41/89/344894189.db2.gz KEBDFXCUHSVCOT-GFCCVEGCSA-N 0 3 292.339 1.488 10 5 CDBEHN CCN1CCC[C@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000053297489 362649398 /nfs/dbraw/zinc/64/93/98/362649398.db2.gz PIKSMSGBJJAMIC-NSHDSACASA-N 0 3 250.302 1.886 10 5 CDBEHN COCCN1CCCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000610575579 346316369 /nfs/dbraw/zinc/31/63/69/346316369.db2.gz FWFIYKOXSKOVDK-UHFFFAOYSA-N 0 3 280.328 1.148 10 5 CDBEHN CC[C@H]1CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000292411278 198278962 /nfs/dbraw/zinc/27/89/62/198278962.db2.gz MBKLXZNAXPULFX-RYUDHWBXSA-N 0 3 280.324 1.819 10 5 CDBEHN CCN1CC[C@@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000389202550 356857267 /nfs/dbraw/zinc/85/72/67/356857267.db2.gz YZIPSEZHMPJODE-SNVBAGLBSA-N 0 3 250.302 1.804 10 5 CDBEHN CC(C)(N)c1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000070117841 361604949 /nfs/dbraw/zinc/60/49/49/361604949.db2.gz JKDBENWYGOGKGJ-UHFFFAOYSA-N 0 3 261.285 1.428 10 5 CDBEHN CN(C)C[C@H]1CCCN1c1ncc([N+](=O)[O-])s1 ZINC000276429387 372938162 /nfs/dbraw/zinc/93/81/62/372938162.db2.gz JMNGBPJJJYDBIP-MRVPVSSYSA-N 0 3 256.331 1.582 10 5 CDBEHN COc1cc(CN[C@H]2CC23CC3)c([N+](=O)[O-])cc1O ZINC000424183581 246376203 /nfs/dbraw/zinc/37/62/03/246376203.db2.gz JUOHUEUXJKUWSI-LBPRGKRZSA-N 0 3 264.281 1.951 10 5 CDBEHN Cc1nc(N2CCN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000302778606 375250005 /nfs/dbraw/zinc/25/00/05/375250005.db2.gz QBIVOUADXFPYIJ-UHFFFAOYSA-N 0 3 262.313 1.583 10 5 CDBEHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(N)CCOCC1 ZINC000132180160 375407686 /nfs/dbraw/zinc/40/76/86/375407686.db2.gz MFTMENKFMTUOCP-UHFFFAOYSA-N 0 3 293.323 1.061 10 5 CDBEHN CC[C@@H](NC[C@](C)(O)C(C)=O)c1cccc([N+](=O)[O-])c1 ZINC000450674191 251397840 /nfs/dbraw/zinc/39/78/40/251397840.db2.gz BFKBBMLLCPDYET-KGLIPLIRSA-N 0 3 280.324 1.976 10 5 CDBEHN COc1cc(CN2CCCN(C)CC2)ccc1[N+](=O)[O-] ZINC000411161636 390966164 /nfs/dbraw/zinc/96/61/64/390966164.db2.gz YSUAWVKVNDEUPE-UHFFFAOYSA-N 0 3 279.340 1.741 10 5 CDBEHN COc1cc(CN[C@H]2C[C@@H](O)C2(C)C)ccc1[N+](=O)[O-] ZINC000574410252 391149579 /nfs/dbraw/zinc/14/95/79/391149579.db2.gz DITLXESWSCHVMJ-QWHCGFSZSA-N 0 3 280.324 1.852 10 5 CDBEHN C[C@H]1CC(O)C[C@H](C)N1CCn1cc([N+](=O)[O-])cn1 ZINC000191175231 130196863 /nfs/dbraw/zinc/19/68/63/130196863.db2.gz IBXJUPHQPLOWLK-UWVGGRQHSA-N 0 3 268.317 1.025 10 5 CDBEHN C[C@@H]1CC[C@H](O)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000421000263 392924243 /nfs/dbraw/zinc/92/42/43/392924243.db2.gz AWLZNBIHJGRXEL-NEPJUHHUSA-N 0 3 280.324 1.819 10 5 CDBEHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000343592728 152236157 /nfs/dbraw/zinc/23/61/57/152236157.db2.gz VLXMAGTXUTWGLQ-UWVGGRQHSA-N 0 3 295.343 1.311 10 5 CDBEHN O=[N+]([O-])c1ccc(CCN2C[C@H](O)C3(CC3)C2)cc1 ZINC000366627316 159387398 /nfs/dbraw/zinc/38/73/98/159387398.db2.gz DSONYLONNVCPEJ-ZDUSSCGKSA-N 0 3 262.309 1.594 10 5 CDBEHN CCN(CC)C(=O)[C@@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676124 174373979 /nfs/dbraw/zinc/37/39/79/174373979.db2.gz YZLKTFJOIDXYDV-GFCCVEGCSA-N 0 3 293.367 1.984 10 5 CDBEHN O=C1[C@H](NC2CC2)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000071036987 176025788 /nfs/dbraw/zinc/02/57/88/176025788.db2.gz QIDNKJLYQKHQTQ-LLVKDONJSA-N 0 3 279.271 1.591 10 5 CDBEHN CN(C[C@H]1CCN(C)C1)C(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000071193101 176075147 /nfs/dbraw/zinc/07/51/47/176075147.db2.gz SNYAHNBBSSQTDT-JTQLQIEISA-N 0 3 292.339 1.201 10 5 CDBEHN Cc1ccc(CN2CCNC[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000519648110 265527673 /nfs/dbraw/zinc/52/76/73/265527673.db2.gz GHGKNXKCZQLVTJ-GFCCVEGCSA-N 0 3 285.294 1.942 10 5 CDBEHN O=[N+]([O-])c1cccc2c1ccnc2N1CCNCC1 ZINC000082766237 275039610 /nfs/dbraw/zinc/03/96/10/275039610.db2.gz FUQHKTJCYHMGRY-UHFFFAOYSA-N 0 3 258.281 1.553 10 5 CDBEHN Cc1cc(C(=O)N2CC[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000170863413 280336090 /nfs/dbraw/zinc/33/60/90/280336090.db2.gz KMPCABLDDDDEGK-LBPRGKRZSA-N 0 3 277.324 1.679 10 5 CDBEHN C[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])[C@@H](C)CN1 ZINC000086471401 288264542 /nfs/dbraw/zinc/26/45/42/288264542.db2.gz ZIIOKMMDSHBGOL-BDAKNGLRSA-N 0 3 253.277 1.921 10 5 CDBEHN CNC(=O)CCCN(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183373371 323333467 /nfs/dbraw/zinc/33/34/67/323333467.db2.gz VLISBXXMFHUNOH-UHFFFAOYSA-N 0 3 279.340 1.861 10 5 CDBEHN CC(C)CNCc1nnnn1-c1ccc([N+](=O)[O-])cc1 ZINC000054744976 519748857 /nfs/dbraw/zinc/74/88/57/519748857.db2.gz RVRVGDIITVASFG-UHFFFAOYSA-N 0 3 276.300 1.316 10 5 CDBEHN CC(C)[C@@H](CN(C)C)Nc1ncc([N+](=O)[O-])cn1 ZINC000049218328 519794183 /nfs/dbraw/zinc/79/41/83/519794183.db2.gz PBZFCFOKERIGHF-SNVBAGLBSA-N 0 3 253.306 1.383 10 5 CDBEHN CCCN1C(=O)C[C@@H](N)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000070293412 521699942 /nfs/dbraw/zinc/69/99/42/521699942.db2.gz WZJSELMWJUMWMN-MFKMUULPSA-N 0 3 263.297 1.606 10 5 CDBEHN CN1C(=O)CCC[C@@H](N)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000070292218 523682815 /nfs/dbraw/zinc/68/28/15/523682815.db2.gz NVWDNRVAQAOHQN-MFKMUULPSA-N 0 3 263.297 1.606 10 5 CDBEHN CC[C@H](C)NC(=O)COc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516559 523974237 /nfs/dbraw/zinc/97/42/37/523974237.db2.gz WAIPIOZPHAXYSE-VIFPVBQESA-N 0 3 281.312 1.347 10 5 CDBEHN CC[C@H](C)NC(=O)COc1cc(CNC)ccc1[N+](=O)[O-] ZINC000050516857 523974978 /nfs/dbraw/zinc/97/49/78/523974978.db2.gz CLXAAJQLKZLBBZ-JTQLQIEISA-N 0 3 295.339 1.608 10 5 CDBEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000069133006 525100925 /nfs/dbraw/zinc/10/09/25/525100925.db2.gz MVULXWQTCKBBFM-DTORHVGOSA-N 0 3 281.287 1.556 10 5 CDBEHN Cc1cc(OCC[C@@H](NC(C)C)C(N)=O)ccc1[N+](=O)[O-] ZINC000062540068 525371855 /nfs/dbraw/zinc/37/18/55/525371855.db2.gz HJGNGBXFDNZOFA-GFCCVEGCSA-N 0 3 295.339 1.524 10 5 CDBEHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000062726401 525462300 /nfs/dbraw/zinc/46/23/00/525462300.db2.gz JFCUIUYJYCVOOI-SNVBAGLBSA-N 0 3 265.313 1.204 10 5 CDBEHN O=C(c1cccc([N+](=O)[O-])c1)N1CCN2CCC[C@@H]2C1 ZINC000049515907 526778508 /nfs/dbraw/zinc/77/85/08/526778508.db2.gz VFKIWUNECRRJRJ-CYBMUJFWSA-N 0 3 275.308 1.515 10 5 CDBEHN CNC(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000420976651 536394539 /nfs/dbraw/zinc/39/45/39/536394539.db2.gz POCWBQWCQHAJPQ-NSHDSACASA-N 0 3 293.323 1.171 10 5 CDBEHN CC(COC(=O)[C@H](C)NC(=O)C1CCCCC1)[N+](=O)[O-] ZINC000813102673 617342638 /nfs/dbraw/zinc/34/26/38/617342638.db2.gz INJBXVRISHWGIR-ZJUUUORDSA-N 0 3 286.328 1.280 10 5 CDBEHN CC(COC(=O)c1scnc1Cl)[N+](=O)[O-] ZINC000813112348 712434967 /nfs/dbraw/zinc/43/49/67/712434967.db2.gz FUBUVOGRXRRYFG-BYPYZUCNSA-N 0 3 250.663 1.619 10 5 CDBEHN COC(=O)c1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112941 1163816396 /nfs/dbraw/zinc/81/63/96/1163816396.db2.gz MJCHBWBQPPJEFM-VIFPVBQESA-N 0 3 281.264 1.224 10 5 CDBEHN O=[N+]([O-])c1cccc(CN2C[C@H](CCO)[C@H](CO)C2)c1 ZINC001620677302 1172602447 /nfs/dbraw/zinc/60/24/47/1172602447.db2.gz NIZUOSDZQXMCOM-STQMWFEESA-N 0 3 280.324 1.018 10 5 CDBEHN C[C@H](COC(=O)C1CCN(C2CC2)CC1)[N+](=O)[O-] ZINC000813107136 1163814771 /nfs/dbraw/zinc/81/47/71/1163814771.db2.gz KLJQQPYWFMFGJS-SECBINFHSA-N 0 3 256.302 1.069 10 5 CDBEHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1C1CCOCC1 ZINC000813114148 1163818601 /nfs/dbraw/zinc/81/86/01/1163818601.db2.gz ZGHUVBVOLXGHTL-VIFPVBQESA-N 0 3 297.311 1.365 10 5 CDBEHN C[C@H](NC[C@H](O)CC(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC000872209314 1165395974 /nfs/dbraw/zinc/39/59/74/1165395974.db2.gz ODZISSRCFPHORZ-GXFFZTMASA-N 0 3 282.340 1.767 10 5 CDBEHN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccsc1 ZINC001272013686 907358848 /nfs/dbraw/zinc/35/88/48/907358848.db2.gz PZNLFMKUIWOJKA-VXGBXAGGSA-N 0 3 297.380 1.304 10 5 CDBEHN COC(CCN1CCc2ncc([N+](=O)[O-])cc2C1)OC ZINC000851907216 927658303 /nfs/dbraw/zinc/65/83/03/927658303.db2.gz DHXDTJXNJRSIIL-UHFFFAOYSA-N 0 3 281.312 1.357 10 5 CDBEHN O=[N+]([O-])c1ccn(C2CCN(CCOC(F)F)CC2)n1 ZINC000851994381 927682564 /nfs/dbraw/zinc/68/25/64/927682564.db2.gz TZCHJGNJWOSMPH-UHFFFAOYSA-N 0 3 290.270 1.667 10 5 CDBEHN CC[S@](=O)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788592001 929558302 /nfs/dbraw/zinc/55/83/02/929558302.db2.gz JTPDPFFAIHIXNG-UGZDLDLSSA-N 0 3 285.369 1.596 10 5 CDBEHN CNc1c(C(=O)N[C@@H]2CCN(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000928433677 933143030 /nfs/dbraw/zinc/14/30/30/933143030.db2.gz BATBUXJAPLYDNS-GXSJLCMTSA-N 0 3 292.339 1.459 10 5 CDBEHN CC(C)(C)O[C@H]1C[C@H](NCC[N+](=O)[O-])C12CCC2 ZINC000931022243 933493506 /nfs/dbraw/zinc/49/35/06/933493506.db2.gz NPJVVLCFENRDNK-QWRGUYRKSA-N 0 3 256.346 1.979 10 5 CDBEHN CC(=O)N(C)CCCNCc1ccccc1[N+](=O)[O-] ZINC001498505286 973955418 /nfs/dbraw/zinc/95/54/18/973955418.db2.gz OMLISGRPZHBLBG-UHFFFAOYSA-N 0 3 265.313 1.553 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCCC[C@@]23CCCOC3)c1 ZINC001655142272 1171672967 /nfs/dbraw/zinc/67/29/67/1171672967.db2.gz UXKBBXBZPZIUDW-AWEZNQCLSA-N 0 3 294.355 1.826 10 5 CDBEHN C[C@@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)N(C)C ZINC000601104260 342466224 /nfs/dbraw/zinc/46/62/24/342466224.db2.gz QYCDJEOAFHXFHP-LURJTMIESA-N 0 3 295.265 1.709 10 5 CDBEHN COc1cc(CN2CC[C@@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000590010433 342519335 /nfs/dbraw/zinc/51/93/35/342519335.db2.gz IZZFDVFNYVREQJ-TZMCWYRMSA-N 0 3 291.351 1.739 10 5 CDBEHN CN1C[C@@H]2CCN(Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590011700 342519676 /nfs/dbraw/zinc/51/96/76/342519676.db2.gz MNKKCVQBVQMIJE-GXTWGEPZSA-N 0 3 261.325 1.731 10 5 CDBEHN CN1C[C@@H]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590442078 342546128 /nfs/dbraw/zinc/54/61/28/342546128.db2.gz GEQSVFJYUXKHQG-TVQRCGJNSA-N 0 3 293.298 1.510 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CN)C(F)(F)F ZINC000401725107 342635225 /nfs/dbraw/zinc/63/52/25/342635225.db2.gz LDPTWRBBKVZMGJ-QMMMGPOBSA-N 0 3 291.229 1.523 10 5 CDBEHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC12CCCC2 ZINC000593040010 342756422 /nfs/dbraw/zinc/75/64/22/342756422.db2.gz WWOAONJAXOZLSV-UHFFFAOYSA-N 0 3 277.324 1.775 10 5 CDBEHN COc1ccc(CN[C@@H]2C[C@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000594985896 342993777 /nfs/dbraw/zinc/99/37/77/342993777.db2.gz CHSJSBLEFBLZNL-KGLIPLIRSA-N 0 3 292.335 1.997 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595260999 343014498 /nfs/dbraw/zinc/01/44/98/343014498.db2.gz QTAORZQVDPBZQJ-VXGBXAGGSA-N 0 3 281.287 1.415 10 5 CDBEHN COc1cccc([N+](=O)[O-])c1N1CCNC[C@](C)(F)C1 ZINC000596014335 343218750 /nfs/dbraw/zinc/21/87/50/343218750.db2.gz NQYXVEDUNCPFNX-ZDUSSCGKSA-N 0 3 283.303 1.741 10 5 CDBEHN C[C@@H]1C[C@H](O)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000602929941 344661439 /nfs/dbraw/zinc/66/14/39/344661439.db2.gz AHRYTBZSTFZVQL-BXUZGUMPSA-N 0 3 264.325 1.983 10 5 CDBEHN CN1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000604229163 344870127 /nfs/dbraw/zinc/87/01/27/344870127.db2.gz KBGHWCUZWOUPSW-LLVKDONJSA-N 0 3 278.312 1.811 10 5 CDBEHN CCCCOC[C@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000227892080 346533726 /nfs/dbraw/zinc/53/37/26/346533726.db2.gz WWZIEUBYEQNSFK-CQSZACIVSA-N 0 3 282.340 1.862 10 5 CDBEHN C[C@@H]1CC[C@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551315 180002295 /nfs/dbraw/zinc/00/22/95/180002295.db2.gz ICRMEBJDCUEBSZ-NEPJUHHUSA-N 0 3 279.340 1.877 10 5 CDBEHN CC[C@@H](NC[C@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000091667207 180223057 /nfs/dbraw/zinc/22/30/57/180223057.db2.gz MVZAFEJZTQFGBE-LSDHHAIUSA-N 0 3 293.367 1.966 10 5 CDBEHN O=[N+]([O-])c1cnc(NCCCNCc2cccnc2)nc1 ZINC000063197149 363397635 /nfs/dbraw/zinc/39/76/35/363397635.db2.gz DXOLBCMRDYULPC-UHFFFAOYSA-N 0 3 288.311 1.372 10 5 CDBEHN COC(=O)C1(CNCc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000188667612 357924593 /nfs/dbraw/zinc/92/45/93/357924593.db2.gz QULNTHZFXRRPJJ-UHFFFAOYSA-N 0 3 278.308 1.946 10 5 CDBEHN O=C([C@@H]1CCCCN1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000566562672 358091757 /nfs/dbraw/zinc/09/17/57/358091757.db2.gz WLMKHGYMUNFKLE-ZDUSSCGKSA-N 0 3 290.323 1.017 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)CN(C)C ZINC000287301192 358380928 /nfs/dbraw/zinc/38/09/28/358380928.db2.gz VLYBGJMOYAPZSB-JTQLQIEISA-N 0 3 265.313 1.583 10 5 CDBEHN O=C1NCCC[C@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000050396092 359440142 /nfs/dbraw/zinc/44/01/42/359440142.db2.gz OUYKJTKDGSTUTI-GFCCVEGCSA-N 0 3 263.297 1.006 10 5 CDBEHN CN(C)[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000170834810 364372840 /nfs/dbraw/zinc/37/28/40/364372840.db2.gz UOTXCDXKHKQUCG-ZDUSSCGKSA-N 0 3 292.339 1.440 10 5 CDBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(N)=O)CC1 ZINC000026467426 370582628 /nfs/dbraw/zinc/58/26/28/370582628.db2.gz CVBSUCCZPUADNT-SNVBAGLBSA-N 0 3 277.324 1.853 10 5 CDBEHN C[C@@H]1C[C@@H](N(C)c2c([N+](=O)[O-])ncn2C)CCN1C ZINC000266213797 373977950 /nfs/dbraw/zinc/97/79/50/373977950.db2.gz GRDAOROOMRFKAK-ZJUUUORDSA-N 0 3 267.333 1.247 10 5 CDBEHN CNC(=O)[C@@H]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000420967777 374306716 /nfs/dbraw/zinc/30/67/16/374306716.db2.gz ALJKHRLVONOBAZ-WDEREUQCSA-N 0 3 277.324 1.724 10 5 CDBEHN Cc1c(CN[C@H]2CCC(=O)N[C@@H]2C)cccc1[N+](=O)[O-] ZINC000282199454 375071496 /nfs/dbraw/zinc/07/14/96/375071496.db2.gz CMMHRQGGZXWSGJ-PWSUYJOCSA-N 0 3 277.324 1.660 10 5 CDBEHN COC[C@](C)(CCO)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000283325028 375113179 /nfs/dbraw/zinc/11/31/79/375113179.db2.gz ZWVUHBLZBLPIRE-ZDUSSCGKSA-N 0 3 286.303 1.611 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000171279080 376508614 /nfs/dbraw/zinc/50/86/14/376508614.db2.gz PHLKCRWRVJTXAK-ZDUSSCGKSA-N 0 3 289.335 1.823 10 5 CDBEHN CN(C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000142260179 377798648 /nfs/dbraw/zinc/79/86/48/377798648.db2.gz CBIJDJSKHAIETA-GFCCVEGCSA-N 0 3 263.297 1.371 10 5 CDBEHN COC(=O)c1cc(C)nc(NC[C@H](C)N(C)C)c1[N+](=O)[O-] ZINC000285965605 390187964 /nfs/dbraw/zinc/18/79/64/390187964.db2.gz AVIQTNXLGSDXMY-VIFPVBQESA-N 0 3 296.327 1.447 10 5 CDBEHN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCN2CCC[C@H]2C1 ZINC000195336153 140154450 /nfs/dbraw/zinc/15/44/50/140154450.db2.gz PAIKBZDDXFGYQS-NSHDSACASA-N 0 3 293.298 1.654 10 5 CDBEHN CCCNCc1cc([N+](=O)[O-])ccc1OCCO ZINC000035414734 172188434 /nfs/dbraw/zinc/18/84/34/172188434.db2.gz WYCKPYICYDRBEY-UHFFFAOYSA-N 0 3 254.286 1.466 10 5 CDBEHN CCN1CCC[C@@H]1CNCc1ccc([N+](=O)[O-])o1 ZINC000037213797 173034863 /nfs/dbraw/zinc/03/48/63/173034863.db2.gz OHKDRNRABXNXEH-SNVBAGLBSA-N 0 3 253.302 1.762 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CNC(C)C ZINC000037386046 173168803 /nfs/dbraw/zinc/16/88/03/173168803.db2.gz DBUOOKACYZXGLH-UHFFFAOYSA-N 0 3 267.285 1.540 10 5 CDBEHN CC[C@@H](C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000037395355 173176044 /nfs/dbraw/zinc/17/60/44/173176044.db2.gz WABRKXJYIWVINL-SNVBAGLBSA-N 0 3 265.313 1.946 10 5 CDBEHN Cn1ccnc1CCNCc1csc([N+](=O)[O-])c1 ZINC000040639397 174363940 /nfs/dbraw/zinc/36/39/40/174363940.db2.gz DPLXXFAUYOQKJW-UHFFFAOYSA-N 0 3 266.326 1.722 10 5 CDBEHN CN1CCC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000040673176 174371544 /nfs/dbraw/zinc/37/15/44/174371544.db2.gz CVBOAUDFODQXTN-SNVBAGLBSA-N 0 3 255.343 1.840 10 5 CDBEHN CNCc1cc([N+](=O)[O-])ccc1O[C@@H](C)C(=O)OC ZINC000043625102 175081273 /nfs/dbraw/zinc/08/12/73/175081273.db2.gz CLHXPVUZOWBXNV-QMMMGPOBSA-N 0 3 268.269 1.255 10 5 CDBEHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)N(C)C2CC2)n1 ZINC000191799273 227173744 /nfs/dbraw/zinc/17/37/44/227173744.db2.gz CROWYNZXHCRFOJ-VIFPVBQESA-N 0 3 295.343 1.024 10 5 CDBEHN C[C@@H]1C[C@@H](C)N1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000547769355 289805665 /nfs/dbraw/zinc/80/56/65/289805665.db2.gz IUZYRPHIFRBQEC-UTUOFQBUSA-N 0 3 280.324 1.817 10 5 CDBEHN CN[C@H](CCOc1ccc([N+](=O)[O-])c(Cl)c1)C(N)=O ZINC000062595656 522461382 /nfs/dbraw/zinc/46/13/82/522461382.db2.gz MXSMJHWTPFHREA-SECBINFHSA-N 0 3 287.703 1.090 10 5 CDBEHN CC[NH2+]C[C@@H](C)C(=O)Nc1ccc([O-])cc1[N+](=O)[O-] ZINC000061230430 519940530 /nfs/dbraw/zinc/94/05/30/519940530.db2.gz IBMQOVKTWJSZAS-MRVPVSSYSA-N 0 3 267.285 1.485 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(O[C@H]2CCC[C@H]2O)c1 ZINC000050516966 520001887 /nfs/dbraw/zinc/00/18/87/520001887.db2.gz SGQOLYZTOGWLSL-OLZOCXBDSA-N 0 3 280.324 1.997 10 5 CDBEHN CCN[C@H](CCOc1ccc(C)cc1[N+](=O)[O-])C(N)=O ZINC000062541809 520191405 /nfs/dbraw/zinc/19/14/05/520191405.db2.gz KXXBLAXFRCXPHS-SNVBAGLBSA-N 0 3 281.312 1.136 10 5 CDBEHN CCOC(=O)CCNCc1cccc([N+](=O)[O-])c1C ZINC000045702467 520689456 /nfs/dbraw/zinc/68/94/56/520689456.db2.gz KELVJCHSDUNMMH-UHFFFAOYSA-N 0 3 266.297 1.946 10 5 CDBEHN CCCN(CCN(C)C)Cc1cc([N+](=O)[O-])ccc1NN ZINC000051145545 521658148 /nfs/dbraw/zinc/65/81/48/521658148.db2.gz RQHDCINFBZJWTQ-UHFFFAOYSA-N 0 3 295.387 1.654 10 5 CDBEHN COCC[C@H](N)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000052791108 521946308 /nfs/dbraw/zinc/94/63/08/521946308.db2.gz BQNGRAMKIAVTPM-JTQLQIEISA-N 0 3 267.285 1.206 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[C@H]2O)c1 ZINC000050516741 522125314 /nfs/dbraw/zinc/12/53/14/522125314.db2.gz VLIFHLFPECQICO-VXGBXAGGSA-N 0 3 266.297 1.606 10 5 CDBEHN CC[C@H](Oc1cc(CNC(C)C)ccc1[N+](=O)[O-])C(N)=O ZINC000061676064 522870109 /nfs/dbraw/zinc/87/01/09/522870109.db2.gz ZTGJRYLBQZTBID-LBPRGKRZSA-N 0 3 295.339 1.736 10 5 CDBEHN COCCNCc1ccc(OC[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000062730727 523953072 /nfs/dbraw/zinc/95/30/72/523953072.db2.gz UXORBDUEMAFDOY-SNVBAGLBSA-N 0 3 284.312 1.090 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1OCC[C@@H](NC(C)C)C(N)=O ZINC000062540644 526084509 /nfs/dbraw/zinc/08/45/09/526084509.db2.gz HNPVRAKGLMFYSS-GFCCVEGCSA-N 0 3 295.339 1.524 10 5 CDBEHN CN1CC[C@@H](CNCc2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000424182632 536449769 /nfs/dbraw/zinc/44/97/69/536449769.db2.gz AOZBPWHIMDPTCO-SNVBAGLBSA-N 0 3 295.314 1.692 10 5 CDBEHN O=C(c1ccccc1[N+](=O)[O-])N1CCN2CCC[C@H]2C1 ZINC000049515906 526812748 /nfs/dbraw/zinc/81/27/48/526812748.db2.gz NWMFYJBPVQZPMV-NSHDSACASA-N 0 3 275.308 1.515 10 5 CDBEHN CC[C@H](N)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000870962076 1165241446 /nfs/dbraw/zinc/24/14/46/1165241446.db2.gz MBXYLRPSCYUGGN-JTQLQIEISA-N 0 3 251.286 1.257 10 5 CDBEHN C[C@@H]1[C@H](CO)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001653448210 1171544877 /nfs/dbraw/zinc/54/48/77/1171544877.db2.gz AYQHKRIFBNUEQT-SCDSUCTJSA-N 0 3 280.324 1.331 10 5 CDBEHN Cc1nc(CCC(=O)OCC(C)[N+](=O)[O-])cs1 ZINC000813106551 1163813872 /nfs/dbraw/zinc/81/38/72/1163813872.db2.gz DIJNIGVPCSFTQY-SSDOTTSWSA-N 0 3 258.299 1.593 10 5 CDBEHN O=[N+]([O-])c1ccc(Cl)cc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405260946 940978263 /nfs/dbraw/zinc/97/82/63/940978263.db2.gz IZJRWFPAPBPYDV-WDEREUQCSA-N 0 3 297.742 1.503 10 5 CDBEHN Cc1cccc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000590443521 342546383 /nfs/dbraw/zinc/54/63/83/342546383.db2.gz KPPWNRWILGTQTM-DGCLKSJQSA-N 0 3 289.335 1.679 10 5 CDBEHN CC1(C)CCCN[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000232939461 342035077 /nfs/dbraw/zinc/03/50/77/342035077.db2.gz QDVFMIWSACVQPG-ZDUSSCGKSA-N 0 3 291.351 1.989 10 5 CDBEHN O=[N+]([O-])c1cnccc1N1CC[C@@H](N2CCCC2)C1 ZINC000608974215 342086435 /nfs/dbraw/zinc/08/64/35/342086435.db2.gz YYGRZZNZXOGECF-LLVKDONJSA-N 0 3 262.313 1.664 10 5 CDBEHN CO[C@](C)(CO)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000594510774 342912560 /nfs/dbraw/zinc/91/25/60/342912560.db2.gz KNALRIIWKAIPIK-FZMZJTMJSA-N 0 3 282.340 1.951 10 5 CDBEHN CN(C(=O)c1csc([N+](=O)[O-])c1)[C@H](CN)C(F)(F)F ZINC000595997075 343214226 /nfs/dbraw/zinc/21/42/26/343214226.db2.gz KUAGVXYBFPYWCQ-ZCFIWIBFSA-N 0 3 297.258 1.618 10 5 CDBEHN COCCN1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000080948407 342361919 /nfs/dbraw/zinc/36/19/19/342361919.db2.gz BNCFTIRPGKSERC-UHFFFAOYSA-N 0 3 279.340 1.753 10 5 CDBEHN CCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CCN(C)C1 ZINC000596449697 343323911 /nfs/dbraw/zinc/32/39/11/343323911.db2.gz DEXWFJQGMUZYHB-SNVBAGLBSA-N 0 3 280.328 1.100 10 5 CDBEHN Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCN1C1CCCC1 ZINC000599165808 343973025 /nfs/dbraw/zinc/97/30/25/343973025.db2.gz TYSLTAGCNYDSQX-LLVKDONJSA-N 0 3 279.344 1.757 10 5 CDBEHN O=[N+]([O-])c1ccc2[nH]c(N3CCN4CC[C@H]3C4)nc2c1 ZINC000599082203 343957643 /nfs/dbraw/zinc/95/76/43/343957643.db2.gz BDGXYIVGYFFHFL-JTQLQIEISA-N 0 3 273.296 1.365 10 5 CDBEHN Cn1cc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])n1 ZINC000602839854 344621336 /nfs/dbraw/zinc/62/13/36/344621336.db2.gz JLRHZRVMMXFJDU-DVVUODLYSA-N 0 3 250.302 1.607 10 5 CDBEHN CC[C@@H](CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000610773212 346404138 /nfs/dbraw/zinc/40/41/38/346404138.db2.gz LZRPHSHJPPEPGR-NSHDSACASA-N 0 3 292.339 1.594 10 5 CDBEHN COCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000344422726 362767728 /nfs/dbraw/zinc/76/77/28/362767728.db2.gz RJHJSSYHUFSWJR-LLVKDONJSA-N 0 3 266.301 1.122 10 5 CDBEHN CN(C)C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000105927953 186091732 /nfs/dbraw/zinc/09/17/32/186091732.db2.gz IGTYZXNPHHNQNI-NSHDSACASA-N 0 3 285.369 1.419 10 5 CDBEHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)CCN1C ZINC000124269723 187129492 /nfs/dbraw/zinc/12/94/92/187129492.db2.gz ZUFJAFIEBVSZNK-ZJUUUORDSA-N 0 3 281.312 1.743 10 5 CDBEHN COCCN1CCCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000271579234 191224694 /nfs/dbraw/zinc/22/46/94/191224694.db2.gz DFZNHIHDFZSCMB-UHFFFAOYSA-N 0 3 279.340 1.753 10 5 CDBEHN COc1ccc(CN[C@H](C)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000134981595 356902049 /nfs/dbraw/zinc/90/20/49/356902049.db2.gz RNUSJSBZUJBOEE-NXEZZACHSA-N 0 3 268.313 1.710 10 5 CDBEHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)n1 ZINC000331181070 357123485 /nfs/dbraw/zinc/12/34/85/357123485.db2.gz HURIHSQNFUNRNM-UWVGGRQHSA-N 0 3 295.343 1.024 10 5 CDBEHN CO[C@@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000290537848 357212339 /nfs/dbraw/zinc/21/23/39/357212339.db2.gz LHJDXZGHUOBAFH-VWYCJHECSA-N 0 3 295.339 1.935 10 5 CDBEHN CN(C)[C@@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000264030200 359085473 /nfs/dbraw/zinc/08/54/73/359085473.db2.gz RVOPDKADEVEGDT-MRVPVSSYSA-N 0 3 281.341 1.444 10 5 CDBEHN Cc1cc(C(=O)N2CC[C@H](N(C)C)C2)cc([N+](=O)[O-])c1 ZINC000170855013 369949518 /nfs/dbraw/zinc/94/95/18/369949518.db2.gz HBYSYXPDBMVKPA-LBPRGKRZSA-N 0 3 277.324 1.679 10 5 CDBEHN CC(C)n1cncc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000424151535 246358907 /nfs/dbraw/zinc/35/89/07/246358907.db2.gz HVUWWRVXWHDSLY-UHFFFAOYSA-N 0 3 278.316 1.359 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283852105 375126214 /nfs/dbraw/zinc/12/62/14/375126214.db2.gz HBPLDRISCSYWOC-QMMMGPOBSA-N 0 3 296.302 1.140 10 5 CDBEHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])n2C)CCN1C ZINC000356359863 375837710 /nfs/dbraw/zinc/83/77/10/375837710.db2.gz JAABAQCIFPOIQQ-MNOVXSKESA-N 0 3 294.355 1.488 10 5 CDBEHN Cc1nc(N[C@H]2CCN(C(C)C)C2)ncc1[N+](=O)[O-] ZINC000450274749 251205050 /nfs/dbraw/zinc/20/50/50/251205050.db2.gz CICQTSLHXCYRJF-JTQLQIEISA-N 0 3 265.317 1.588 10 5 CDBEHN COc1cc(CN(C)CC(C)(C)O)ccc1[N+](=O)[O-] ZINC000305815273 390881332 /nfs/dbraw/zinc/88/13/32/390881332.db2.gz JQZGBKJWFWSMIK-UHFFFAOYSA-N 0 3 268.313 1.806 10 5 CDBEHN C[C@H]1CN2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])s1 ZINC000192454819 391331583 /nfs/dbraw/zinc/33/15/83/391331583.db2.gz RYQZOTADHJCTPE-DTWKUNHWSA-N 0 3 268.342 1.724 10 5 CDBEHN COc1cc(CN2CC[C@@H](C)[C@H]2CO)ccc1[N+](=O)[O-] ZINC000442888437 392505074 /nfs/dbraw/zinc/50/50/74/392505074.db2.gz GSIMCQXHXFZEMM-ZWNOBZJWSA-N 0 3 280.324 1.806 10 5 CDBEHN Cc1c(C(=O)N2CCN3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000195316121 140154065 /nfs/dbraw/zinc/15/40/65/140154065.db2.gz XAZYDXVKMGPYPE-GFCCVEGCSA-N 0 3 289.335 1.823 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCC[C@]3(CCCOC3)C2)c1 ZINC000355748637 157216214 /nfs/dbraw/zinc/21/62/14/157216214.db2.gz RGMKGSIHYFXHFS-AWEZNQCLSA-N 0 3 294.355 1.684 10 5 CDBEHN CCN1CCC[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000040503289 174299509 /nfs/dbraw/zinc/29/95/09/174299509.db2.gz WNBVUHKBZYXDLS-NSHDSACASA-N 0 3 292.339 1.590 10 5 CDBEHN O=C1[C@@H](NC2CC2)CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000071034368 176024050 /nfs/dbraw/zinc/02/40/50/176024050.db2.gz UFSJWOJMEJRJOS-ZDUSSCGKSA-N 0 3 289.335 1.838 10 5 CDBEHN CN[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1=O ZINC000071036981 176026181 /nfs/dbraw/zinc/02/61/81/176026181.db2.gz VYRCJDYTBQPUSE-VIFPVBQESA-N 0 3 253.233 1.059 10 5 CDBEHN CCCN[C@H]1CCN(c2cc([N+](=O)[O-])ccc2F)C1=O ZINC000071040020 176027199 /nfs/dbraw/zinc/02/71/99/176027199.db2.gz OWTUFLACMWPINM-NSHDSACASA-N 0 3 281.287 1.839 10 5 CDBEHN Cc1cc(N2CCC[C@H]2CN(C)C)ncc1[N+](=O)[O-] ZINC000268633174 274705785 /nfs/dbraw/zinc/70/57/85/274705785.db2.gz PJFLHZLDQWSNCT-NSHDSACASA-N 0 3 264.329 1.829 10 5 CDBEHN O=[N+]([O-])c1cnc(N2CCN3CCC[C@H]3C2)c(F)c1 ZINC000408473078 275041076 /nfs/dbraw/zinc/04/10/76/275041076.db2.gz YQNUXRPPNAGNIS-VIFPVBQESA-N 0 3 266.276 1.413 10 5 CDBEHN CN(C)C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000114562978 276798785 /nfs/dbraw/zinc/79/87/85/276798785.db2.gz FFVZNBONYONKKU-OAHLLOKOSA-N 0 3 293.367 1.400 10 5 CDBEHN COC[C@](C)(O)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514873896 280854492 /nfs/dbraw/zinc/85/44/92/280854492.db2.gz ZYDIIVUIRNODHO-UKRRQHHQSA-N 0 3 294.351 1.959 10 5 CDBEHN CO[C@@H](C)[C@@H](C)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000555121386 290204721 /nfs/dbraw/zinc/20/47/21/290204721.db2.gz CZHLPLSHCPCMKH-MXWKQRLJSA-N 0 3 295.339 1.935 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[C@@H]2O)c1 ZINC000050516963 520002110 /nfs/dbraw/zinc/00/21/10/520002110.db2.gz SGQOLYZTOGWLSL-QWHCGFSZSA-N 0 3 280.324 1.997 10 5 CDBEHN CCN[C@@H](CCSc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000062596630 520094118 /nfs/dbraw/zinc/09/41/18/520094118.db2.gz JOBVLPWHQMULQV-NSHDSACASA-N 0 3 283.353 1.540 10 5 CDBEHN CN[C@](C)(C[C@@H](C)Oc1ccc(F)cc1[N+](=O)[O-])C(N)=O ZINC000068658379 522520858 /nfs/dbraw/zinc/52/08/58/522520858.db2.gz VMSWCMUFOGPCTJ-AMIZOPFISA-N 0 3 299.302 1.355 10 5 CDBEHN CN1CCCC[C@@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000050708163 523794861 /nfs/dbraw/zinc/79/48/61/523794861.db2.gz FUTGHKAPPOORHW-LLVKDONJSA-N 0 3 292.339 1.391 10 5 CDBEHN C[C@H](CN1CCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000049184171 524321330 /nfs/dbraw/zinc/32/13/30/524321330.db2.gz JTSORYUYKUUFNW-SNVBAGLBSA-N 0 3 250.302 1.886 10 5 CDBEHN Cc1cc(O[C@@H](C)C[C@@](C)(N)C(N)=O)ccc1[N+](=O)[O-] ZINC000068651113 525380877 /nfs/dbraw/zinc/38/08/77/525380877.db2.gz ISSWLGSKNKFUOP-TVQRCGJNSA-N 0 3 281.312 1.263 10 5 CDBEHN NCc1ccc(OC[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000068875772 527257574 /nfs/dbraw/zinc/25/75/74/527257574.db2.gz BQANRHMWVCFWSA-VIFPVBQESA-N 0 3 280.202 1.356 10 5 CDBEHN O=[N+]([O-])c1ccccc1CCN1CC[C@@H](CO)C1 ZINC000062727300 527398852 /nfs/dbraw/zinc/39/88/52/527398852.db2.gz QOTVHQDIBPZEBC-LLVKDONJSA-N 0 3 250.298 1.452 10 5 CDBEHN C[C@@H]1[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CCN1C ZINC000928430040 619001913 /nfs/dbraw/zinc/00/19/13/619001913.db2.gz FGRWXUCPBLOONR-SKDRFNHKSA-N 0 3 295.314 1.485 10 5 CDBEHN CCOc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813109511 677895016 /nfs/dbraw/zinc/89/50/16/677895016.db2.gz KCSPVOMSNMOZFY-VIFPVBQESA-N 0 3 283.280 1.916 10 5 CDBEHN C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c(N)c2F)CCN1C ZINC000719367264 677934446 /nfs/dbraw/zinc/93/44/46/677934446.db2.gz BZOSOINCMMKIDC-HTQZYQBOSA-N 0 3 268.292 1.821 10 5 CDBEHN CC(COC(=O)c1ccc(N(C)C)c(F)c1)[N+](=O)[O-] ZINC000813102884 678229092 /nfs/dbraw/zinc/22/90/92/678229092.db2.gz KYMLFMWDKYQYFH-MRVPVSSYSA-N 0 3 270.260 1.714 10 5 CDBEHN CC(COC(=O)[C@@H]1CC(=O)c2ccccc21)[N+](=O)[O-] ZINC000813113223 678217888 /nfs/dbraw/zinc/21/78/88/678217888.db2.gz XVTRSVZFWVDQCH-LDYMZIIASA-N 0 3 263.249 1.565 10 5 CDBEHN CC(COC(=O)COc1cccc(Cl)c1)[N+](=O)[O-] ZINC000813109243 677861090 /nfs/dbraw/zinc/86/10/90/677861090.db2.gz QCGXXHGLQCHADY-MRVPVSSYSA-N 0 3 273.672 1.927 10 5 CDBEHN Cc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000928456499 677974402 /nfs/dbraw/zinc/97/44/02/677974402.db2.gz LWYLEFZLUGQGNH-CMPLNLGQSA-N 0 3 277.324 1.726 10 5 CDBEHN CC(COC(=O)[C@H](C)Oc1ccccc1F)[N+](=O)[O-] ZINC000813111910 678150071 /nfs/dbraw/zinc/15/00/71/678150071.db2.gz BFNHJRWEBDDKLQ-BDAKNGLRSA-N 0 3 271.244 1.801 10 5 CDBEHN CC(COC(=O)[C@H](C)Oc1ccc(F)c(F)c1)[N+](=O)[O-] ZINC000813109089 678436558 /nfs/dbraw/zinc/43/65/58/678436558.db2.gz OEBNHXYIZGRYNV-YUMQZZPRSA-N 0 3 289.234 1.941 10 5 CDBEHN C[C@H]1CCCN1CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000783923345 678669942 /nfs/dbraw/zinc/66/99/42/678669942.db2.gz YWPSUXIJZKAVPL-JTQLQIEISA-N 0 3 278.312 1.204 10 5 CDBEHN CCO[C@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813115664 679011449 /nfs/dbraw/zinc/01/14/49/679011449.db2.gz XHTDFNPWLYTTIN-JQWIXIFHSA-N 0 3 267.281 1.973 10 5 CDBEHN COCCOCc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110607 679061257 /nfs/dbraw/zinc/06/12/57/679061257.db2.gz FMQSQEWSYYEBFP-LLVKDONJSA-N 0 3 297.307 1.672 10 5 CDBEHN CCOc1ccccc1OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813114856 679066227 /nfs/dbraw/zinc/06/62/27/679066227.db2.gz XCICQTGXCXLKRC-SNVBAGLBSA-N 0 3 283.280 1.673 10 5 CDBEHN Cn1nccc1[C@@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000922972729 679194906 /nfs/dbraw/zinc/19/49/06/679194906.db2.gz KFWFBPLSGGKZPP-ZDUSSCGKSA-N 0 3 276.296 1.152 10 5 CDBEHN Cc1ccc2c(c1)CC[C@H](C(=O)OCC(C)[N+](=O)[O-])O2 ZINC000813102070 679435819 /nfs/dbraw/zinc/43/58/19/679435819.db2.gz NKWCAIGKPQMGTN-GXFFZTMASA-N 0 3 279.292 1.897 10 5 CDBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(C)=O ZINC001716202016 1180092791 /nfs/dbraw/zinc/09/27/91/1180092791.db2.gz PSNNNJXTAMBFJI-UHFFFAOYSA-N 0 3 265.313 1.553 10 5 CDBEHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@@]12CCOC2 ZINC001176976707 914414244 /nfs/dbraw/zinc/41/42/44/914414244.db2.gz FSMPXEYWMMDGPN-AWEZNQCLSA-N 0 3 294.355 1.745 10 5 CDBEHN NC(=O)[C@]12CCC[C@H]1CN(Cc1cccnc1[N+](=O)[O-])C2 ZINC001198194529 925365124 /nfs/dbraw/zinc/36/51/24/925365124.db2.gz GYTSOSDYTNGGLS-FZMZJTMJSA-N 0 3 290.323 1.077 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CC[C@H](O)CC23CCC3)c1 ZINC001559924767 960843122 /nfs/dbraw/zinc/84/31/22/960843122.db2.gz BTVMBEKEGBTEAE-LBPRGKRZSA-N 0 3 280.328 1.171 10 5 CDBEHN O=[N+]([O-])c1cc(F)c(N2CC(N[C@H]3CCOC3)C2)c(F)c1 ZINC001472889610 968974432 /nfs/dbraw/zinc/97/44/32/968974432.db2.gz ZPQOQKFRJULMQJ-QMMMGPOBSA-N 0 3 299.277 1.440 10 5 CDBEHN COCCOC[C@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000294950164 199266933 /nfs/dbraw/zinc/26/69/33/199266933.db2.gz IYGVUMPTPRMMJS-NWDGAFQWSA-N 0 3 298.339 1.269 10 5 CDBEHN CN1CCC[C@H]1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000401247718 342483972 /nfs/dbraw/zinc/48/39/72/342483972.db2.gz AYBSPTIJZTVOPY-VIFPVBQESA-N 0 3 254.265 1.635 10 5 CDBEHN CN1C[C@H]2CCN(Cc3csc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590010981 342519564 /nfs/dbraw/zinc/51/95/64/342519564.db2.gz DKDUUCLLYKSXHJ-MNOVXSKESA-N 0 3 267.354 1.792 10 5 CDBEHN CCN1CCCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000611525752 346811618 /nfs/dbraw/zinc/81/16/18/346811618.db2.gz KHTYOGAOGZKPCV-UHFFFAOYSA-N 0 3 294.355 1.201 10 5 CDBEHN Cc1ccc(NC(=O)COC2(C)CNC2)cc1[N+](=O)[O-] ZINC000098060229 342226916 /nfs/dbraw/zinc/22/69/16/342226916.db2.gz RGQYPDVXIUNVJM-UHFFFAOYSA-N 0 3 279.296 1.220 10 5 CDBEHN C[C@H](NCC[C@]1(O)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000404203810 349768934 /nfs/dbraw/zinc/76/89/34/349768934.db2.gz OWPAMVZLRYIYSJ-FZMZJTMJSA-N 0 3 280.324 1.787 10 5 CDBEHN CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H](CN)C(F)(F)F ZINC000596003815 343207447 /nfs/dbraw/zinc/20/74/47/343207447.db2.gz SKBDSOPGPHBZGB-VIFPVBQESA-N 0 3 291.229 1.556 10 5 CDBEHN CC(C)[N@@H+]1CC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596094175 343234576 /nfs/dbraw/zinc/23/45/76/343234576.db2.gz OOEKEEFCIZWJOA-SECBINFHSA-N 0 3 266.301 1.590 10 5 CDBEHN CC(C)[N@H+]1CC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596094175 343234577 /nfs/dbraw/zinc/23/45/77/343234577.db2.gz OOEKEEFCIZWJOA-SECBINFHSA-N 0 3 266.301 1.590 10 5 CDBEHN NCc1cc(I)ccc1[N+](=O)[O-] ZINC000238664717 362192720 /nfs/dbraw/zinc/19/27/20/362192720.db2.gz ZPPRAMBXRSFNSN-UHFFFAOYSA-N 0 3 278.049 1.658 10 5 CDBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000597857656 343647807 /nfs/dbraw/zinc/64/78/07/343647807.db2.gz HWRJCDLEDBIJLG-SNVBAGLBSA-N 0 3 292.339 1.592 10 5 CDBEHN CN1CCOC[C@H]1CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000599004673 343937711 /nfs/dbraw/zinc/93/77/11/343937711.db2.gz WZDUECXBJDVENK-YVARQFDVSA-N 0 3 291.351 1.528 10 5 CDBEHN C[C@@H](N[C@H]1C[C@H](C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599069755 343948919 /nfs/dbraw/zinc/94/89/19/343948919.db2.gz HWTIRQMYMXWICC-FBIMIBRVSA-N 0 3 263.297 1.509 10 5 CDBEHN C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000599101673 343954644 /nfs/dbraw/zinc/95/46/44/343954644.db2.gz AFXCTMDZWBNTCM-UWVGGRQHSA-N 0 3 299.352 1.014 10 5 CDBEHN CC[C@H](NC[C@H]1COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000599081628 343956989 /nfs/dbraw/zinc/95/69/89/343956989.db2.gz SORYKAWFVYKVDQ-GJZGRUSLSA-N 0 3 293.367 1.966 10 5 CDBEHN CCN1CC[C@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000389453651 362466349 /nfs/dbraw/zinc/46/63/49/362466349.db2.gz QVGGAOYALILABG-LBPRGKRZSA-N 0 3 279.340 1.787 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CC[C@H](C(F)F)C2)n1 ZINC000611179812 346630921 /nfs/dbraw/zinc/63/09/21/346630921.db2.gz KMNFZBANSVHMOI-QMMMGPOBSA-N 0 3 260.244 1.378 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN1CC[C@@H]2OCCN[C@H]2C1 ZINC000404185573 346685151 /nfs/dbraw/zinc/68/51/51/346685151.db2.gz JIAOZASPRQCZKN-JSGCOSHPSA-N 0 3 277.324 1.158 10 5 CDBEHN O=[N+]([O-])c1ccc2nc([S@@](=O)C[C@H]3CCC[NH2+]3)[n-]c2c1 ZINC000095092122 365913549 /nfs/dbraw/zinc/91/35/49/365913549.db2.gz ANOGWSIGOQUXCL-ZPWHCFADSA-N 0 3 294.336 1.331 10 5 CDBEHN O=[N+]([O-])c1ccc2[n-]c([S@@](=O)C[C@H]3CCC[NH2+]3)nc2c1 ZINC000095092122 365913552 /nfs/dbraw/zinc/91/35/52/365913552.db2.gz ANOGWSIGOQUXCL-ZPWHCFADSA-N 0 3 294.336 1.331 10 5 CDBEHN CC1(C)OCC[C@@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000295147971 199372306 /nfs/dbraw/zinc/37/23/06/199372306.db2.gz CVZRTQLUNNVVGH-OLZOCXBDSA-N 0 3 280.324 1.785 10 5 CDBEHN O=[N+]([O-])c1cccc(CNCCC2CS(=O)(=O)C2)c1 ZINC000615728196 348654038 /nfs/dbraw/zinc/65/40/38/348654038.db2.gz RRYJLNVBSCFUGW-UHFFFAOYSA-N 0 3 284.337 1.119 10 5 CDBEHN CN(C)C[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000157398577 188314298 /nfs/dbraw/zinc/31/42/98/188314298.db2.gz PKOOLGHKEVYSSB-JTQLQIEISA-N 0 3 292.339 1.343 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CCC[C@@]3(CCOC3)C2)n1 ZINC000451909858 359377888 /nfs/dbraw/zinc/37/78/88/359377888.db2.gz XRHVAGKRHZXCKA-CYBMUJFWSA-N 0 3 280.328 1.294 10 5 CDBEHN CNC(=O)[C@@H](C)CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000176354368 360200509 /nfs/dbraw/zinc/20/05/09/360200509.db2.gz DVRVJOPHHAEXGU-QWRGUYRKSA-N 0 3 279.340 1.970 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000441218475 368530357 /nfs/dbraw/zinc/53/03/57/368530357.db2.gz SAEAWMICTAMKCE-CHWSQXEVSA-N 0 3 294.355 1.540 10 5 CDBEHN CN(C)[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000170874809 370007546 /nfs/dbraw/zinc/00/75/46/370007546.db2.gz KIAVVKDAJAFZES-GFCCVEGCSA-N 0 3 278.312 1.763 10 5 CDBEHN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCN1C ZINC000092623057 374699835 /nfs/dbraw/zinc/69/98/35/374699835.db2.gz IAVRLVBENRLFKS-JTQLQIEISA-N 0 3 250.302 1.804 10 5 CDBEHN COC[C@@](C)(O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000449385478 374805311 /nfs/dbraw/zinc/80/53/11/374805311.db2.gz QQGGKZYEKLFQDK-ZDUSSCGKSA-N 0 3 268.313 1.472 10 5 CDBEHN CCN1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000389530402 374919842 /nfs/dbraw/zinc/91/98/42/374919842.db2.gz BXKVCLVOYZHFQI-SECBINFHSA-N 0 3 278.312 1.001 10 5 CDBEHN CCN(CCOCCO)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000282197356 375070810 /nfs/dbraw/zinc/07/08/10/375070810.db2.gz WXLPUOZXEAUNMH-LBPRGKRZSA-N 0 3 282.340 1.987 10 5 CDBEHN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]3CCN(C)[C@H]3C2)n1 ZINC000450778984 390549764 /nfs/dbraw/zinc/54/97/64/390549764.db2.gz MLYTUFKLYNVLSB-NEPJUHHUSA-N 0 3 276.340 1.747 10 5 CDBEHN C[C@H]1COCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000277304752 393129804 /nfs/dbraw/zinc/12/98/04/393129804.db2.gz COJQTONUACIUKW-JOYOIKCWSA-N 0 3 293.323 1.208 10 5 CDBEHN CO[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1C ZINC000251783689 140312462 /nfs/dbraw/zinc/31/24/62/140312462.db2.gz LMTKYBHPFNRKBB-WDEREUQCSA-N 0 3 268.317 1.148 10 5 CDBEHN COc1cc(CN(CCO)CC2CC2)ccc1[N+](=O)[O-] ZINC000352491889 155223377 /nfs/dbraw/zinc/22/33/77/155223377.db2.gz SVOWDKALFQDAKP-UHFFFAOYSA-N 0 3 280.324 1.808 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CCC[C@H]3COCC[C@@H]32)n1 ZINC000362454222 159152962 /nfs/dbraw/zinc/15/29/62/159152962.db2.gz PPPBXBPXHICJHO-RYUDHWBXSA-N 0 3 280.328 1.292 10 5 CDBEHN COCCOCCCNCc1ccc([N+](=O)[O-])o1 ZINC000037237427 173055426 /nfs/dbraw/zinc/05/54/26/173055426.db2.gz BFSBKAHXKDEKCK-UHFFFAOYSA-N 0 3 258.274 1.331 10 5 CDBEHN O=C(CNC1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000037386758 173169801 /nfs/dbraw/zinc/16/98/01/173169801.db2.gz FCDCHACYQAPPHI-UHFFFAOYSA-N 0 3 269.688 1.939 10 5 CDBEHN CC(C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000037389765 173172860 /nfs/dbraw/zinc/17/28/60/173172860.db2.gz KJNMJNKJVVFQSI-UHFFFAOYSA-N 0 3 281.268 1.260 10 5 CDBEHN C[C@H](NC[C@H]1COCCO1)c1ccccc1[N+](=O)[O-] ZINC000038060112 174070071 /nfs/dbraw/zinc/07/00/71/174070071.db2.gz OUKHBKHPSLAGGG-QWRGUYRKSA-N 0 3 266.297 1.661 10 5 CDBEHN Cc1ccc([C@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000038097554 174112507 /nfs/dbraw/zinc/11/25/07/174112507.db2.gz AAPKGXUFFMQJIC-JQWIXIFHSA-N 0 3 294.311 1.404 10 5 CDBEHN CO[C@H]1CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000040633276 174359394 /nfs/dbraw/zinc/35/93/94/174359394.db2.gz SITWLSZEPUWDIR-PWSUYJOCSA-N 0 3 279.296 1.219 10 5 CDBEHN CN[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300217 175000774 /nfs/dbraw/zinc/00/07/74/175000774.db2.gz MQBWUNSYTJRFMS-JQWIXIFHSA-N 0 3 284.337 1.290 10 5 CDBEHN C[C@H](CN1CCCC1)Nc1cc([N+](=O)[O-])ccn1 ZINC000043568101 175067306 /nfs/dbraw/zinc/06/73/06/175067306.db2.gz WVZBQFIKHJEEGR-SNVBAGLBSA-N 0 3 250.302 1.886 10 5 CDBEHN C[C@@H]1CC[C@H](O)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000399168392 270369793 /nfs/dbraw/zinc/36/97/93/270369793.db2.gz BYRQXXSFKIEQBR-MFKMUULPSA-N 0 3 250.298 1.940 10 5 CDBEHN CN(C)C1CN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000291833386 273792543 /nfs/dbraw/zinc/79/25/43/273792543.db2.gz GNCAGOKMZUAMQO-UHFFFAOYSA-N 0 3 272.308 1.893 10 5 CDBEHN CC(=O)NCCCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000342293919 278102634 /nfs/dbraw/zinc/10/26/34/278102634.db2.gz GWFNDPPBCFQMKD-JTQLQIEISA-N 0 3 265.313 1.772 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000194739444 280052473 /nfs/dbraw/zinc/05/24/73/280052473.db2.gz LDAHEHODZNMBGG-LBPRGKRZSA-N 0 3 263.297 1.419 10 5 CDBEHN CCN[C@@H](CCOc1c(C)cc(C)cc1[N+](=O)[O-])C(N)=O ZINC000062595599 520091624 /nfs/dbraw/zinc/09/16/24/520091624.db2.gz HVJONNIYOVKCIR-NSHDSACASA-N 0 3 295.339 1.444 10 5 CDBEHN CCN1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000050708135 521623117 /nfs/dbraw/zinc/62/31/17/521623117.db2.gz AJPGUTDUGKXCMJ-SNVBAGLBSA-N 0 3 292.339 1.391 10 5 CDBEHN CN(C)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1C=O ZINC000061644951 521845738 /nfs/dbraw/zinc/84/57/38/521845738.db2.gz GXBZJJHICMVOCB-ZDUSSCGKSA-N 0 3 277.324 1.938 10 5 CDBEHN CN1CCC(NC(=O)c2cc(N)c(F)cc2[N+](=O)[O-])CC1 ZINC000050701742 523775529 /nfs/dbraw/zinc/77/55/29/523775529.db2.gz GYLRTBWENNNTNW-UHFFFAOYSA-N 0 3 296.302 1.140 10 5 CDBEHN COC(=O)[C@H](C)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000062727270 523864741 /nfs/dbraw/zinc/86/47/41/523864741.db2.gz FNEVUIBMAFFHFG-LLVKDONJSA-N 0 3 280.324 1.878 10 5 CDBEHN C[C@]1(NCCc2ccccc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000062726523 525297271 /nfs/dbraw/zinc/29/72/71/525297271.db2.gz NZBXGCXNQUNBGT-ZDUSSCGKSA-N 0 3 298.364 1.304 10 5 CDBEHN O=[N+]([O-])c1ccc(OC2CNC2)c(C(F)(F)F)c1 ZINC000062810193 527370919 /nfs/dbraw/zinc/37/09/19/527370919.db2.gz YTWNXJKXYQQWRR-UHFFFAOYSA-N 0 3 262.187 1.964 10 5 CDBEHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cncs1 ZINC000773076958 575780381 /nfs/dbraw/zinc/78/03/81/575780381.db2.gz BAYOOOWWOSYPFF-QMMMGPOBSA-N 0 3 267.314 1.599 10 5 CDBEHN Cc1sc(=O)n(CCC(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813110031 617345741 /nfs/dbraw/zinc/34/57/41/617345741.db2.gz RCEDIKPMGZOXEZ-SSDOTTSWSA-N 0 3 288.325 1.125 10 5 CDBEHN CCCn1ncc(C(=O)OCC(C)[N+](=O)[O-])c1C1CC1 ZINC000813114090 617347726 /nfs/dbraw/zinc/34/77/26/617347726.db2.gz LYYCZEZRTXHKNV-VIFPVBQESA-N 0 3 281.312 1.993 10 5 CDBEHN CC[C@H](C)n1ncc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813104639 679778991 /nfs/dbraw/zinc/77/89/91/679778991.db2.gz PLMYVADOOXNVQK-IUCAKERBSA-N 0 3 269.301 1.985 10 5 CDBEHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC3(COC3)C2)c1 ZINC000852682887 679830442 /nfs/dbraw/zinc/83/04/42/679830442.db2.gz BIVHNCHQEVOOPX-ZDUSSCGKSA-N 0 3 278.308 1.351 10 5 CDBEHN CC(COC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813112402 681217621 /nfs/dbraw/zinc/21/76/21/681217621.db2.gz PULMIHRZDPCMRJ-IUCAKERBSA-N 0 3 282.252 1.907 10 5 CDBEHN CC(COC(=O)Cc1ccn(-c2ccccc2)n1)[N+](=O)[O-] ZINC000813103060 681557059 /nfs/dbraw/zinc/55/70/59/681557059.db2.gz MPLXUUDXQRMCER-NSHDSACASA-N 0 3 289.291 1.623 10 5 CDBEHN Cc1noc(C)c1[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813103176 681776913 /nfs/dbraw/zinc/77/69/13/681776913.db2.gz APVHYMOSGZFMHO-NKWVEPMBSA-N 0 3 256.258 1.603 10 5 CDBEHN CON(C)C(=O)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000872231281 681853003 /nfs/dbraw/zinc/85/30/03/681853003.db2.gz GWXKEGJGQYSOFC-UHFFFAOYSA-N 0 3 281.312 1.403 10 5 CDBEHN CC[C@@H](C)n1nc(C(=O)OCC(C)[N+](=O)[O-])cc1C ZINC000813113294 682143175 /nfs/dbraw/zinc/14/31/75/682143175.db2.gz PDADVJBGHFDQLV-SCZZXKLOSA-N 0 3 269.301 1.985 10 5 CDBEHN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813114795 682173912 /nfs/dbraw/zinc/17/39/12/682173912.db2.gz GVZHKYOJCVMFTM-BDAKNGLRSA-N 0 3 283.328 1.424 10 5 CDBEHN CC(COC(=O)[C@@H](C)c1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000797281864 682392472 /nfs/dbraw/zinc/39/24/72/682392472.db2.gz QPFOZAVFVMOHRD-BDAKNGLRSA-N 0 3 281.264 1.727 10 5 CDBEHN COc1ccc(O[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111547 682735700 /nfs/dbraw/zinc/73/57/00/682735700.db2.gz UNZFQGNBGYMVIL-VHSXEESVSA-N 0 3 283.280 1.671 10 5 CDBEHN CC[C@@H](N)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000870962077 683574422 /nfs/dbraw/zinc/57/44/22/683574422.db2.gz MBXYLRPSCYUGGN-SNVBAGLBSA-N 0 3 251.286 1.257 10 5 CDBEHN CC(COC(=O)C[C@@H]1CSCCS1)[N+](=O)[O-] ZINC000813112625 683701284 /nfs/dbraw/zinc/70/12/84/683701284.db2.gz RUKMDMWIIFUUIH-JGVFFNPUSA-N 0 3 265.356 1.434 10 5 CDBEHN Cc1ccc(OCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813106684 683880986 /nfs/dbraw/zinc/88/09/86/683880986.db2.gz FYQCBVWHTAWLAF-SNVBAGLBSA-N 0 3 253.254 1.582 10 5 CDBEHN C[C@H](NCCOCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000353979674 1167334964 /nfs/dbraw/zinc/33/49/64/1167334964.db2.gz RRUCBJPZUWDPBK-NSHDSACASA-N 0 3 268.313 1.644 10 5 CDBEHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1N)[C@H]1CCN(C)C1 ZINC001645325849 1167391475 /nfs/dbraw/zinc/39/14/75/1167391475.db2.gz ODZHISVLNCHSMK-NSHDSACASA-N 0 3 292.339 1.343 10 5 CDBEHN COCCOC[C@@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000294950166 199266825 /nfs/dbraw/zinc/26/68/25/199266825.db2.gz IYGVUMPTPRMMJS-RYUDHWBXSA-N 0 3 298.339 1.269 10 5 CDBEHN CN1C[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590012366 342520023 /nfs/dbraw/zinc/52/00/23/342520023.db2.gz RWUJDLOXOMIHDY-OCCSQVGLSA-N 0 3 261.325 1.731 10 5 CDBEHN CN1CCC[C@@]2(CCN(c3ccncc3[N+](=O)[O-])C2)C1 ZINC000590141906 342522670 /nfs/dbraw/zinc/52/26/70/342522670.db2.gz IHGUMWVYMGULHH-CQSZACIVSA-N 0 3 276.340 1.912 10 5 CDBEHN COC[C@@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCCN1 ZINC000591590008 342635656 /nfs/dbraw/zinc/63/56/56/342635656.db2.gz NFAGEOHJNZRABX-CYBMUJFWSA-N 0 3 279.296 1.302 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CNCCOC1 ZINC000591590749 342635731 /nfs/dbraw/zinc/63/57/31/342635731.db2.gz XLPOMPPMAIMCKR-SNVBAGLBSA-N 0 3 279.296 1.078 10 5 CDBEHN COC(=O)c1ccnc(NC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000591593266 342636365 /nfs/dbraw/zinc/63/63/65/342636365.db2.gz BBDNTUNDAMRVCB-UHFFFAOYSA-N 0 3 294.311 1.283 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNCCN1CCC(O)CC1 ZINC000294968060 199275551 /nfs/dbraw/zinc/27/55/51/199275551.db2.gz XCJAWMIGTWDGMJ-UHFFFAOYSA-N 0 3 293.367 1.450 10 5 CDBEHN COc1ncncc1CNCCc1cccc([N+](=O)[O-])c1 ZINC000592365954 342689160 /nfs/dbraw/zinc/68/91/60/342689160.db2.gz MWFFXLLHBUTAMN-UHFFFAOYSA-N 0 3 288.307 1.726 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](CO)CCF ZINC000593685471 342822356 /nfs/dbraw/zinc/82/23/56/342822356.db2.gz IBHDHCGGZSUZJP-NSHDSACASA-N 0 3 256.277 1.713 10 5 CDBEHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594026449 342867459 /nfs/dbraw/zinc/86/74/59/342867459.db2.gz CAARDZVTJNXMTK-FRRDWIJNSA-N 0 3 291.351 1.407 10 5 CDBEHN CO[C@](C)(CO)CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000594513883 342913086 /nfs/dbraw/zinc/91/30/86/342913086.db2.gz UJASEDYLCSCXAL-RISCZKNCSA-N 0 3 282.340 1.951 10 5 CDBEHN CC[C@@H](CO)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075956713 342316577 /nfs/dbraw/zinc/31/65/77/342316577.db2.gz OPCFDLRDZURVPP-AWEZNQCLSA-N 0 3 293.367 1.483 10 5 CDBEHN C[C@H]1[C@H](O)CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000294980061 199281934 /nfs/dbraw/zinc/28/19/34/199281934.db2.gz JQUVCFXDSDRRSQ-GXFFZTMASA-N 0 3 250.298 1.940 10 5 CDBEHN O=C(NCc1ccc([N+](=O)[O-])cc1)C1(NC2CC2)CCC1 ZINC000595924595 343192779 /nfs/dbraw/zinc/19/27/79/343192779.db2.gz GQXQSPAYJMBWCY-UHFFFAOYSA-N 0 3 289.335 1.886 10 5 CDBEHN CCCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000598342214 343771133 /nfs/dbraw/zinc/77/11/33/343771133.db2.gz KKRCEGQWZUXYDY-JTQLQIEISA-N 0 3 278.312 1.204 10 5 CDBEHN CCCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000598342215 343771187 /nfs/dbraw/zinc/77/11/87/343771187.db2.gz KKRCEGQWZUXYDY-SNVBAGLBSA-N 0 3 278.312 1.204 10 5 CDBEHN CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CCN1 ZINC000598572007 343832976 /nfs/dbraw/zinc/83/29/76/343832976.db2.gz JWAGCLGEXAPIHX-LBPRGKRZSA-N 0 3 278.312 1.060 10 5 CDBEHN CCN(C(=O)c1ccc([N+](=O)[O-])cn1)C1CCN(C)CC1 ZINC000599986758 344160202 /nfs/dbraw/zinc/16/02/02/344160202.db2.gz ZFYCHIXDFNRSES-UHFFFAOYSA-N 0 3 292.339 1.546 10 5 CDBEHN [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc([O-])cc1[N+](=O)[O-] ZINC000085359292 179032021 /nfs/dbraw/zinc/03/20/21/179032021.db2.gz FGWCTGMQNWOIJQ-ZJUUUORDSA-N 0 3 279.296 1.756 10 5 CDBEHN O=[N+]([O-])c1cc2c[nH]nc2cc1OCCN1CCCC1 ZINC000584617672 346501386 /nfs/dbraw/zinc/50/13/86/346501386.db2.gz GYYVNXOWNUTBAG-UHFFFAOYSA-N 0 3 276.296 1.946 10 5 CDBEHN C[C@@H]1CC[C@H](C)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551318 180002285 /nfs/dbraw/zinc/00/22/85/180002285.db2.gz ICRMEBJDCUEBSZ-NWDGAFQWSA-N 0 3 279.340 1.877 10 5 CDBEHN COC[C@@H](C)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000189542773 366118049 /nfs/dbraw/zinc/11/80/49/366118049.db2.gz QKYIPNHYLVBKPD-ZDUSSCGKSA-N 0 3 293.367 1.999 10 5 CDBEHN COC[C@]1(CO)CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000451922176 360312779 /nfs/dbraw/zinc/31/27/79/360312779.db2.gz DYWNSQZOGZLGHG-SWLSCSKDSA-N 0 3 294.351 1.987 10 5 CDBEHN CN(C)[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000170865008 369979552 /nfs/dbraw/zinc/97/95/52/369979552.db2.gz PMTORWWKQGBTLY-SECBINFHSA-N 0 3 296.302 1.092 10 5 CDBEHN C[C@@H]1COCC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000277557233 374794318 /nfs/dbraw/zinc/79/43/18/374794318.db2.gz TXUWZGXBESIQGX-GHMZBOCLSA-N 0 3 293.323 1.548 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CCC[C@]3(CCCOC3)C2)n1 ZINC000357927188 375941359 /nfs/dbraw/zinc/94/13/59/375941359.db2.gz JCACNKRNZATQQF-AWEZNQCLSA-N 0 3 294.355 1.684 10 5 CDBEHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000069508250 378188546 /nfs/dbraw/zinc/18/85/46/378188546.db2.gz PQBMAYFXASRMFB-ZYHUDNBSSA-N 0 3 277.324 1.681 10 5 CDBEHN O=C1C[C@@]2(CCN(Cc3ccccc3[N+](=O)[O-])C2)CN1 ZINC000278785881 194153870 /nfs/dbraw/zinc/15/38/70/194153870.db2.gz DMTWMBBGHLLEBI-AWEZNQCLSA-N 0 3 275.308 1.307 10 5 CDBEHN CCc1nn(C)c(N2CCN3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000179588421 390958894 /nfs/dbraw/zinc/95/88/94/390958894.db2.gz NSEJDOODFTYADM-SNVBAGLBSA-N 0 3 279.344 1.175 10 5 CDBEHN Cc1cc([N+](=O)[O-])cnc1N1CCCN(C2CC2)CC1 ZINC000171831659 391960165 /nfs/dbraw/zinc/96/01/65/391960165.db2.gz YWCGTUOQGUJPSF-UHFFFAOYSA-N 0 3 276.340 1.973 10 5 CDBEHN Nc1ccc([N+](=O)[O-])c(N2CCCN(C3CC3)CC2)c1 ZINC000193399295 393334348 /nfs/dbraw/zinc/33/43/48/393334348.db2.gz FQEVHCGWLHGBFO-UHFFFAOYSA-N 0 3 276.340 1.852 10 5 CDBEHN CO[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[C@H]1C ZINC000251783688 140312963 /nfs/dbraw/zinc/31/29/63/140312963.db2.gz LMTKYBHPFNRKBB-GHMZBOCLSA-N 0 3 268.317 1.148 10 5 CDBEHN C[C@H](N[C@@H](C)[C@H](C)CO)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000358788413 158026788 /nfs/dbraw/zinc/02/67/88/158026788.db2.gz GCDINIMAJACIFW-VWYCJHECSA-N 0 3 295.339 1.528 10 5 CDBEHN CCC(=O)N(CC)CCNCc1cccc([N+](=O)[O-])c1 ZINC001668336861 1173398056 /nfs/dbraw/zinc/39/80/56/1173398056.db2.gz HTRKRZSYAUZCLJ-UHFFFAOYSA-N 0 3 279.340 1.943 10 5 CDBEHN CN1C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000570446746 294240598 /nfs/dbraw/zinc/24/05/98/294240598.db2.gz CARLOAPLYCALFO-GXFFZTMASA-N 0 3 290.323 1.156 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000183272802 323326807 /nfs/dbraw/zinc/32/68/07/323326807.db2.gz CRQBFSRRMRDDDG-AAEUAGOBSA-N 0 3 291.351 1.989 10 5 CDBEHN O=[N+]([O-])c1cccc(CCNC[C@@H](O)C(F)(F)F)c1 ZINC000579827122 324291074 /nfs/dbraw/zinc/29/10/74/324291074.db2.gz HFUVYEPBMAQWIS-SNVBAGLBSA-N 0 3 278.230 1.650 10 5 CDBEHN C[C@@H]1C[C@H](C)CN(CCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000046880797 482436220 /nfs/dbraw/zinc/43/62/20/482436220.db2.gz LCSXIXGVCNQSHY-PHIMTYICSA-N 0 3 295.339 1.896 10 5 CDBEHN CC(C)NC(=O)[C@@H](C)Oc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516493 519714193 /nfs/dbraw/zinc/71/41/93/519714193.db2.gz IGEGUGFAFFOZIL-SECBINFHSA-N 0 3 281.312 1.345 10 5 CDBEHN CC(C)[C@@H](C)NC(=O)COc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516138 519791797 /nfs/dbraw/zinc/79/17/97/519791797.db2.gz YAXDFZBVNOTQAF-SNVBAGLBSA-N 0 3 295.339 1.593 10 5 CDBEHN CCCN1CCN(Cc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000050792091 519859212 /nfs/dbraw/zinc/85/92/12/519859212.db2.gz PPXJTFLTFHILCL-UHFFFAOYSA-N 0 3 278.356 1.705 10 5 CDBEHN CC[NH2+]CCC(=O)Nc1ccc([O-])cc1[N+](=O)[O-] ZINC000061289957 519918133 /nfs/dbraw/zinc/91/81/33/519918133.db2.gz MMTQMBPTPIFNKQ-UHFFFAOYSA-N 0 3 253.258 1.239 10 5 CDBEHN CCNCc1nccn1Cc1cc([N+](=O)[O-])ccc1OC ZINC000051004996 520022670 /nfs/dbraw/zinc/02/26/70/520022670.db2.gz CFNKOUQRQADRKM-UHFFFAOYSA-N 0 3 290.323 1.958 10 5 CDBEHN CCN[C@](C)(C[C@H](C)Oc1ccccc1[N+](=O)[O-])C(N)=O ZINC000068650952 520243299 /nfs/dbraw/zinc/24/32/99/520243299.db2.gz RHOLRTDNIARAKO-IINYFYTJSA-N 0 3 295.339 1.606 10 5 CDBEHN CCCN(CCN(C)C)C(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050709033 521655285 /nfs/dbraw/zinc/65/52/85/521655285.db2.gz DNLSCVLSSUEZMI-UHFFFAOYSA-N 0 3 294.355 1.591 10 5 CDBEHN CN(C)C[C@H]1CCCN1c1ccc(CO)cc1[N+](=O)[O-] ZINC000061645457 521874377 /nfs/dbraw/zinc/87/43/77/521874377.db2.gz GXQPDZIKZMLOKY-GFCCVEGCSA-N 0 3 279.340 1.618 10 5 CDBEHN CNc1cc(C(=O)NC[C@H](C)N(C)C)c([N+](=O)[O-])cc1F ZINC000050779935 522557380 /nfs/dbraw/zinc/55/73/80/522557380.db2.gz MTCFKNDPEWUHKV-QMMMGPOBSA-N 0 3 298.318 1.456 10 5 CDBEHN COCCNCc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000062733356 523953010 /nfs/dbraw/zinc/95/30/10/523953010.db2.gz ONMJFVNANFNKQH-UHFFFAOYSA-N 0 3 276.239 1.932 10 5 CDBEHN C[C@H]1CNC[C@H](C)N1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000069133494 524697285 /nfs/dbraw/zinc/69/72/85/524697285.db2.gz YDUGEMPCLKNSLW-UWVGGRQHSA-N 0 3 278.312 1.809 10 5 CDBEHN Cc1c(OCC[C@H](NC(C)C)C(N)=O)cccc1[N+](=O)[O-] ZINC000062540508 525881438 /nfs/dbraw/zinc/88/14/38/525881438.db2.gz FUMDSMXWSFOWOI-NSHDSACASA-N 0 3 295.339 1.524 10 5 CDBEHN NCc1ccc([N+](=O)[O-])c(OCCn2ccnc2)c1 ZINC000050516188 527256971 /nfs/dbraw/zinc/25/69/71/527256971.db2.gz LWFIFWBTOJIIIQ-UHFFFAOYSA-N 0 3 262.269 1.329 10 5 CDBEHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)N1CCCCC1 ZINC000762027976 576614040 /nfs/dbraw/zinc/61/40/40/576614040.db2.gz MFOGYUWEIKLJRK-NSHDSACASA-N 0 3 292.339 1.594 10 5 CDBEHN COc1ccc2c(c1)[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2 ZINC000813113929 617347609 /nfs/dbraw/zinc/34/76/09/617347609.db2.gz WLZHJQTWCNLCAW-BXKDBHETSA-N 0 3 279.292 1.933 10 5 CDBEHN COc1ccc(/C=C/C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111556 684824598 /nfs/dbraw/zinc/82/45/98/684824598.db2.gz UQLWWOUEYXDJOV-YVFTVSHDSA-N 0 3 265.265 1.917 10 5 CDBEHN C[C@H]1[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000928448232 684875979 /nfs/dbraw/zinc/87/59/79/684875979.db2.gz MUFVECLBRWPNIZ-GXFFZTMASA-N 0 3 277.324 1.346 10 5 CDBEHN COC(=O)c1ccccc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813107700 684997309 /nfs/dbraw/zinc/99/73/09/684997309.db2.gz UOTAPYCKENAMRP-SECBINFHSA-N 0 3 281.264 1.224 10 5 CDBEHN C[C@H]1[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000719383009 685772975 /nfs/dbraw/zinc/77/29/75/685772975.db2.gz YFUOGOTZODQCNN-GZMMTYOYSA-N 0 3 281.287 1.556 10 5 CDBEHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1CC1CCCC1 ZINC000813111005 685852385 /nfs/dbraw/zinc/85/23/85/685852385.db2.gz OAMUGEFYCXEFHT-VIFPVBQESA-N 0 3 296.327 1.599 10 5 CDBEHN Cc1nn(C)c(C)c1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813109381 685915872 /nfs/dbraw/zinc/91/58/72/685915872.db2.gz JPLHPHSXFOBSDT-QMMMGPOBSA-N 0 3 269.301 1.178 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928438528 686806448 /nfs/dbraw/zinc/80/64/48/686806448.db2.gz FXRODTVRAYXNQI-JOYOIKCWSA-N 0 3 293.323 1.426 10 5 CDBEHN CC(COC(=O)c1ccc2c(n1)CCCC2)[N+](=O)[O-] ZINC000813108033 687022952 /nfs/dbraw/zinc/02/29/52/687022952.db2.gz UIJYXRYMVOMMSB-SECBINFHSA-N 0 3 264.281 1.782 10 5 CDBEHN CC(COC(=O)CCNC(=O)C1CCCCC1)[N+](=O)[O-] ZINC000813114030 687067597 /nfs/dbraw/zinc/06/75/97/687067597.db2.gz XVBZKVIPSCGRFC-SNVBAGLBSA-N 0 3 286.328 1.281 10 5 CDBEHN CC(COC(=O)c1ccc(N2CCCC2)nc1)[N+](=O)[O-] ZINC000813114608 687683712 /nfs/dbraw/zinc/68/37/12/687683712.db2.gz DMYDKYLAOHDAOS-SNVBAGLBSA-N 0 3 279.296 1.504 10 5 CDBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(C)=O ZINC001716201025 1180095030 /nfs/dbraw/zinc/09/50/30/1180095030.db2.gz FYXJHDISYFGKES-UHFFFAOYSA-N 0 3 265.313 1.553 10 5 CDBEHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)CCN(C)C ZINC000312533689 1186700451 /nfs/dbraw/zinc/70/04/51/1186700451.db2.gz OOWQZCILYRFTQR-UHFFFAOYSA-N 0 3 283.303 1.676 10 5 CDBEHN Cn1cc([N+](=O)[O-])c(N2CCN(C3CCCCC3)CC2)n1 ZINC001185880846 919803642 /nfs/dbraw/zinc/80/36/42/919803642.db2.gz ATVARWIIERQCAU-UHFFFAOYSA-N 0 3 293.371 1.783 10 5 CDBEHN CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CN2CCC1CC2 ZINC000823256697 931278069 /nfs/dbraw/zinc/27/80/69/931278069.db2.gz MHHIMULAKIUDEB-LBPRGKRZSA-N 0 3 283.372 1.375 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1C[C@@H](CO)C1 ZINC000601139850 342479726 /nfs/dbraw/zinc/47/97/26/342479726.db2.gz LTIUFLKHKGOWLI-KLPPZKSPSA-N 0 3 250.298 1.764 10 5 CDBEHN O=[N+]([O-])c1ccc(Cl)cc1NC[C@@H]1CNCCO1 ZINC000125230887 187175207 /nfs/dbraw/zinc/17/52/07/187175207.db2.gz LQIAQFSHSDWEAP-VIFPVBQESA-N 0 3 271.704 1.649 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CNCCOC1 ZINC000591590747 342635772 /nfs/dbraw/zinc/63/57/72/342635772.db2.gz XLPOMPPMAIMCKR-JTQLQIEISA-N 0 3 279.296 1.078 10 5 CDBEHN C[C@@H](N[C@H]1C[C@@H](C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000593182866 342776126 /nfs/dbraw/zinc/77/61/26/342776126.db2.gz HWTIRQMYMXWICC-IEBDPFPHSA-N 0 3 263.297 1.509 10 5 CDBEHN Cc1c([C@H](C)N[C@H]2C[C@@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000593717792 342828454 /nfs/dbraw/zinc/82/84/54/342828454.db2.gz NDRUCHZOVYBRHL-GARJFASQSA-N 0 3 277.324 1.818 10 5 CDBEHN O=[N+]([O-])c1cc([O-])ccc1-n1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000594652795 342933797 /nfs/dbraw/zinc/93/37/97/342933797.db2.gz OVANCHBEHGFDDS-SECBINFHSA-N 0 3 289.295 1.348 10 5 CDBEHN Cc1noc(CN(C)[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595349109 343045604 /nfs/dbraw/zinc/04/56/04/343045604.db2.gz YJXDZRRUWZKCLK-GXSJLCMTSA-N 0 3 282.344 1.806 10 5 CDBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000247081953 362084681 /nfs/dbraw/zinc/08/46/81/362084681.db2.gz HWVYQMQQMPJAHV-FZMZJTMJSA-N 0 3 289.335 1.904 10 5 CDBEHN O=[N+]([O-])c1cccc(OCCN[C@H]2C[C@@H](O)C23CCC3)c1 ZINC000595776634 343149241 /nfs/dbraw/zinc/14/92/41/343149241.db2.gz BLMQYLKYSNUEPB-UONOGXRCSA-N 0 3 292.335 1.867 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCC[C@@](O)(C3CC3)C2)c1 ZINC000595753297 343153107 /nfs/dbraw/zinc/15/31/07/343153107.db2.gz YLTJHFADZQMMNH-ZDUSSCGKSA-N 0 3 280.328 1.028 10 5 CDBEHN O=[N+]([O-])c1ccccc1OCCN1CC[C@H]2COC[C@@H]2C1 ZINC000595827656 343167638 /nfs/dbraw/zinc/16/76/38/343167638.db2.gz CUQRGTLZOHXQKF-STQMWFEESA-N 0 3 292.335 1.942 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](F)[C@H](N)C1 ZINC000596105705 343228677 /nfs/dbraw/zinc/22/86/77/343228677.db2.gz MLXXLXTZAARNEW-CHWSQXEVSA-N 0 3 267.304 1.774 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1COCCN1C ZINC000599003601 343937372 /nfs/dbraw/zinc/93/73/72/343937372.db2.gz LFTCTIWRTFJHAB-AWEZNQCLSA-N 0 3 279.340 1.323 10 5 CDBEHN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000292869535 362506283 /nfs/dbraw/zinc/50/62/83/362506283.db2.gz AXJNNKCYWZOVEC-NTZNESFSSA-N 0 3 280.324 1.675 10 5 CDBEHN O=[N+]([O-])c1cc(CNCCc2cn[nH]c2)cs1 ZINC000289954321 362552776 /nfs/dbraw/zinc/55/27/76/362552776.db2.gz VCOKRTZVLINMBD-UHFFFAOYSA-N 0 3 252.299 1.712 10 5 CDBEHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000136960257 356604972 /nfs/dbraw/zinc/60/49/72/356604972.db2.gz QFRXOCJXAFAZLI-CYBMUJFWSA-N 0 3 250.298 1.970 10 5 CDBEHN COc1cc(CN2CC[C@](C)(C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000361557207 358280321 /nfs/dbraw/zinc/28/03/21/358280321.db2.gz OQGMEEBNEALQOI-AWEZNQCLSA-N 0 3 293.323 1.301 10 5 CDBEHN C[C@H](CNc1ccncc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000340149549 359579169 /nfs/dbraw/zinc/57/91/69/359579169.db2.gz DPHIVKDLKKEROJ-VXGBXAGGSA-N 0 3 278.356 1.944 10 5 CDBEHN Cc1c(CN[C@@H]2CN(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000358311478 360949737 /nfs/dbraw/zinc/94/97/37/360949737.db2.gz PGUUYKVSZGWIKN-ZWNOBZJWSA-N 0 3 263.341 1.943 10 5 CDBEHN CCN1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2C)C1 ZINC000389432271 364906602 /nfs/dbraw/zinc/90/66/02/364906602.db2.gz YSDFLDSPOWMBCB-SNVBAGLBSA-N 0 3 250.302 1.804 10 5 CDBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[C@@H](O)C1 ZINC000351820091 369264932 /nfs/dbraw/zinc/26/49/32/369264932.db2.gz NMWNFGHLOZOZSW-BREBYQMCSA-N 0 3 250.298 1.968 10 5 CDBEHN Cc1cc(C(=O)N2CC[C@@H](N(C)C)C2)cc([N+](=O)[O-])c1 ZINC000170855016 369950285 /nfs/dbraw/zinc/95/02/85/369950285.db2.gz HBYSYXPDBMVKPA-GFCCVEGCSA-N 0 3 277.324 1.679 10 5 CDBEHN C[C@@H](CC(N)=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000161360662 373506023 /nfs/dbraw/zinc/50/60/23/373506023.db2.gz QIWXXRZBTJIFFU-IUCAKERBSA-N 0 3 251.286 1.509 10 5 CDBEHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)n1 ZINC000331181069 374904725 /nfs/dbraw/zinc/90/47/25/374904725.db2.gz HURIHSQNFUNRNM-NXEZZACHSA-N 0 3 295.343 1.024 10 5 CDBEHN C[C@H]1CCC[C@H](C)N1CCNc1ncc([N+](=O)[O-])cn1 ZINC000354566264 375726369 /nfs/dbraw/zinc/72/63/69/375726369.db2.gz CUDHFEHWPFOJAS-QWRGUYRKSA-N 0 3 279.344 1.482 10 5 CDBEHN CN(C)C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000263920533 190085257 /nfs/dbraw/zinc/08/52/57/190085257.db2.gz OJPKKGKVSJVPRF-CYBMUJFWSA-N 0 3 277.324 1.761 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN[C@@H](c2cccnc2)C2CC2)c1 ZINC000445769517 250230268 /nfs/dbraw/zinc/23/02/68/250230268.db2.gz VJSLAXOJCVMPSE-CQSZACIVSA-N 0 3 287.323 1.927 10 5 CDBEHN O=[N+]([O-])c1ccc(OCCN2C[C@H](O)C3(CC3)C2)cc1 ZINC000364435603 390964493 /nfs/dbraw/zinc/96/44/93/390964493.db2.gz SQDNSBAACSCHBC-ZDUSSCGKSA-N 0 3 278.308 1.430 10 5 CDBEHN COC(=O)[C@](C)(O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000429685085 393085321 /nfs/dbraw/zinc/08/53/21/393085321.db2.gz LZZLFZZGSZTVFW-QMTHXVAHSA-N 0 3 296.323 1.478 10 5 CDBEHN COc1cc(CN2CC[C@@H]([C@@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000305835689 149171326 /nfs/dbraw/zinc/17/13/26/149171326.db2.gz FSIJNHDMAONUMZ-ZYHUDNBSSA-N 0 3 280.324 1.806 10 5 CDBEHN CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC2)C1 ZINC000347004609 153375852 /nfs/dbraw/zinc/37/58/52/153375852.db2.gz CKHJLBKMENFFOP-CQSZACIVSA-N 0 3 289.335 1.904 10 5 CDBEHN COc1cc(CN(C)CCCCO)ccc1[N+](=O)[O-] ZINC000349918199 154270480 /nfs/dbraw/zinc/27/04/80/154270480.db2.gz CJSGEXWEQPVORQ-UHFFFAOYSA-N 0 3 268.313 1.808 10 5 CDBEHN CC[C@H](C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000037389498 173172642 /nfs/dbraw/zinc/17/26/42/173172642.db2.gz YTGMZFZDQDFAFW-QMMMGPOBSA-N 0 3 295.295 1.650 10 5 CDBEHN CO[C@@H]1CN[C@@H](C(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000040632951 174359641 /nfs/dbraw/zinc/35/96/41/174359641.db2.gz RLJSFSYCLKYHRH-WCBMZHEXSA-N 0 3 299.714 1.564 10 5 CDBEHN N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000043299928 175000385 /nfs/dbraw/zinc/00/03/85/175000385.db2.gz RTTDVSHBSZKPOP-KWQFWETISA-N 0 3 270.310 1.029 10 5 CDBEHN CC(C)N[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1=O ZINC000071036983 176026125 /nfs/dbraw/zinc/02/61/25/176026125.db2.gz WXZJFFPNDKPBSA-LLVKDONJSA-N 0 3 281.287 1.837 10 5 CDBEHN CCN[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2OC)C1=O ZINC000071043002 176028997 /nfs/dbraw/zinc/02/89/97/176028997.db2.gz CJNAZZZNJHTUSC-LLVKDONJSA-N 0 3 293.323 1.708 10 5 CDBEHN CN(C[C@@H]1CCN(C)C1)C(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000071193102 176075136 /nfs/dbraw/zinc/07/51/36/176075136.db2.gz SNYAHNBBSSQTDT-SNVBAGLBSA-N 0 3 292.339 1.201 10 5 CDBEHN COCCN(CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000490073687 274024842 /nfs/dbraw/zinc/02/48/42/274024842.db2.gz RWQMVKUATSGVRB-OAHLLOKOSA-N 0 3 294.351 1.875 10 5 CDBEHN CCCCNC(=O)COc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516277 520622037 /nfs/dbraw/zinc/62/20/37/520622037.db2.gz SMXFBZNKPFPDQF-UHFFFAOYSA-N 0 3 281.312 1.349 10 5 CDBEHN CCC[C@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943240 521116206 /nfs/dbraw/zinc/11/62/06/521116206.db2.gz DQQNWCSEPXKFTC-NSHDSACASA-N 0 3 251.286 1.338 10 5 CDBEHN COCC[C@@H](N)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000052792406 521825578 /nfs/dbraw/zinc/82/55/78/521825578.db2.gz CCTMBVSTQYQLMA-SECBINFHSA-N 0 3 287.703 1.551 10 5 CDBEHN COCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000052810225 521947348 /nfs/dbraw/zinc/94/73/48/521947348.db2.gz QHEKIIXPLDMIBF-JTQLQIEISA-N 0 3 267.285 1.206 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(OC[C@@H](O)C(F)(F)F)c1 ZINC000068877431 522124078 /nfs/dbraw/zinc/12/40/78/522124078.db2.gz YVVLNBYPLNWVTJ-SNVBAGLBSA-N 0 3 294.229 1.616 10 5 CDBEHN Cc1cccc(O[C@@H](C)C[C@](C)(N)C(N)=O)c1[N+](=O)[O-] ZINC000068651383 524776378 /nfs/dbraw/zinc/77/63/78/524776378.db2.gz FAWKBGBXLSYDLB-ZANVPECISA-N 0 3 281.312 1.263 10 5 CDBEHN Cc1cccc(O[C@H](C)C[C@@](C)(N)C(N)=O)c1[N+](=O)[O-] ZINC000068651390 524782709 /nfs/dbraw/zinc/78/27/09/524782709.db2.gz FAWKBGBXLSYDLB-NOZJJQNGSA-N 0 3 281.312 1.263 10 5 CDBEHN O=[N+]([O-])c1cnc(N2CCNCc3ccccc32)nc1 ZINC000062819098 527409190 /nfs/dbraw/zinc/40/91/90/527409190.db2.gz SKWOSJYMIWQBGF-UHFFFAOYSA-N 0 3 271.280 1.626 10 5 CDBEHN Cc1noc(C)c1[C@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813102241 617342136 /nfs/dbraw/zinc/34/21/36/617342136.db2.gz CKSCHDITKWWVOP-HTQZYQBOSA-N 0 3 270.285 1.993 10 5 CDBEHN Cc1ccccc1OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813106598 617343442 /nfs/dbraw/zinc/34/34/42/617343442.db2.gz FRIGAQXKKOWYHY-JTQLQIEISA-N 0 3 253.254 1.582 10 5 CDBEHN C[C@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000902927005 625644789 /nfs/dbraw/zinc/64/47/89/625644789.db2.gz YLVDXOWFACKCIG-JOYOIKCWSA-N 0 3 278.312 1.809 10 5 CDBEHN Cc1cc([N+](=O)[O-])cn(C[C@@H]2CCCN2C)c1=O ZINC000917319696 632196801 /nfs/dbraw/zinc/19/68/01/632196801.db2.gz CZAJROQFLZTERA-JTQLQIEISA-N 0 3 251.286 1.159 10 5 CDBEHN CC(C)c1ccc(CNC[C@H](O)[C@H](C)O)cc1[N+](=O)[O-] ZINC000865740292 694019856 /nfs/dbraw/zinc/01/98/56/694019856.db2.gz GCAFATISWWUKCM-HZMBPMFUSA-N 0 3 282.340 1.550 10 5 CDBEHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1[C@H]1CCOC1 ZINC000860776670 688557631 /nfs/dbraw/zinc/55/76/31/688557631.db2.gz GODHMNHKDGHACW-PWSUYJOCSA-N 0 3 296.323 1.888 10 5 CDBEHN CC(COC(=O)c1cn2ccnc2s1)[N+](=O)[O-] ZINC000813103936 694753476 /nfs/dbraw/zinc/75/34/76/694753476.db2.gz UYOITXGZPMNQOS-ZCFIWIBFSA-N 0 3 255.255 1.218 10 5 CDBEHN CC(COC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813112404 694800969 /nfs/dbraw/zinc/80/09/69/694800969.db2.gz PULMIHRZDPCMRJ-RKDXNWHRSA-N 0 3 282.252 1.907 10 5 CDBEHN Cc1csc(CCC(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813111838 694685891 /nfs/dbraw/zinc/68/58/91/694685891.db2.gz ATOORZGFNGJDEF-MRVPVSSYSA-N 0 3 258.299 1.593 10 5 CDBEHN NC(=O)C1CC(NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000716683966 694720161 /nfs/dbraw/zinc/72/01/61/694720161.db2.gz MYPYIQOIQBNGAA-UHFFFAOYSA-N 0 3 283.715 1.602 10 5 CDBEHN CC(C)c1cc(C(=O)OCC(C)[N+](=O)[O-])n(C)n1 ZINC000813100437 694722678 /nfs/dbraw/zinc/72/26/78/694722678.db2.gz SJFCYVMNXXSXLS-QMMMGPOBSA-N 0 3 255.274 1.366 10 5 CDBEHN Cc1nn(C)c(C)c1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813109380 694843452 /nfs/dbraw/zinc/84/34/52/694843452.db2.gz JPLHPHSXFOBSDT-MRVPVSSYSA-N 0 3 269.301 1.178 10 5 CDBEHN NC(=O)[C@@H]1CCCC[C@H]1NCc1cccnc1[N+](=O)[O-] ZINC001645210827 1167376058 /nfs/dbraw/zinc/37/60/58/1167376058.db2.gz YRGQIHOEPHOMTA-GHMZBOCLSA-N 0 3 278.312 1.124 10 5 CDBEHN Cc1ccc([C@@H](C)NC[C@H](O)C(C)(C)O)cc1[N+](=O)[O-] ZINC001653908051 1171574008 /nfs/dbraw/zinc/57/40/08/1171574008.db2.gz YHIOWXMDOOBWNS-MFKMUULPSA-N 0 3 282.340 1.686 10 5 CDBEHN CC[C@@H](NC[C@H](O)[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC001658034773 1172007279 /nfs/dbraw/zinc/00/72/79/1172007279.db2.gz VREBUDIAHRZTPY-WQAKAFBOSA-N 0 3 268.313 1.377 10 5 CDBEHN CC(COC(=O)c1csc(C(F)(F)F)n1)[N+](=O)[O-] ZINC000813112421 1163816375 /nfs/dbraw/zinc/81/63/75/1163816375.db2.gz PXWBZNJPXZIHDO-SCSAIBSYSA-N 0 3 284.215 1.984 10 5 CDBEHN CC(COC(=O)[C@@H]1Cc2ccc(F)cc21)[N+](=O)[O-] ZINC000813105440 723679995 /nfs/dbraw/zinc/67/99/95/723679995.db2.gz ZKONPRSYWVOJMG-RDDDGLTNSA-N 0 3 253.229 1.674 10 5 CDBEHN C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1=CCN(C)CC1 ZINC001638358492 1166841130 /nfs/dbraw/zinc/84/11/30/1166841130.db2.gz ODYNQUNKQKPOLZ-NSHDSACASA-N 0 3 283.372 1.589 10 5 CDBEHN CC(=O)N(C)CCOCCNCc1cccc([N+](=O)[O-])c1 ZINC001284852720 904432410 /nfs/dbraw/zinc/43/24/10/904432410.db2.gz DERYQCCPBRDTTD-UHFFFAOYSA-N 0 3 295.339 1.179 10 5 CDBEHN O=[N+]([O-])c1ccc(N2CC(N[C@H]3CCOC3)C2)c(F)c1 ZINC001187739623 920641520 /nfs/dbraw/zinc/64/15/20/920641520.db2.gz BYYJEHAMZLAPKT-VIFPVBQESA-N 0 3 281.287 1.301 10 5 CDBEHN N[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[C@H]1F ZINC000852918413 927915401 /nfs/dbraw/zinc/91/54/01/927915401.db2.gz AEYWRSXQGZFVBN-NXEZZACHSA-N 0 3 285.250 1.245 10 5 CDBEHN CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000855362698 928402562 /nfs/dbraw/zinc/40/25/62/928402562.db2.gz UACYPIGZJVNEAB-NSHDSACASA-N 0 3 271.361 1.375 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN(C)[C@@H]2C)n1 ZINC000719627499 934856606 /nfs/dbraw/zinc/85/66/06/934856606.db2.gz VNDMXSQWDWNTKR-ZJUUUORDSA-N 0 3 250.302 1.803 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(N2CC(N[C@H]3CCOC3)C2)c1 ZINC001651457153 1171325482 /nfs/dbraw/zinc/32/54/82/1171325482.db2.gz LEJKJXXQZOQZTG-NSHDSACASA-N 0 3 277.324 1.470 10 5 CDBEHN O=[N+]([O-])c1cc(CN[C@H](CO)[C@@H]2CCCOC2)cs1 ZINC001653887081 1171574381 /nfs/dbraw/zinc/57/43/81/1171574381.db2.gz FOUUQVGRHQBELM-GHMZBOCLSA-N 0 3 286.353 1.533 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCC(C3(O)CC3)CC2)c1 ZINC000593051654 342764110 /nfs/dbraw/zinc/76/41/10/342764110.db2.gz TXAJCCIDLIYCIR-UHFFFAOYSA-N 0 3 280.328 1.028 10 5 CDBEHN CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H](CN)C(F)(F)F ZINC000595985840 343211972 /nfs/dbraw/zinc/21/19/72/343211972.db2.gz CDJRWVGYPWXVTI-LURJTMIESA-N 0 3 297.258 1.618 10 5 CDBEHN CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CCN(CC)C1 ZINC000596456103 343316374 /nfs/dbraw/zinc/31/63/74/343316374.db2.gz BLRAYNPZTIDDCW-SNVBAGLBSA-N 0 3 280.328 1.479 10 5 CDBEHN CN1CCOC[C@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000599004641 343937731 /nfs/dbraw/zinc/93/77/31/343937731.db2.gz VQZQXWHGFJPWCE-GFCCVEGCSA-N 0 3 299.758 1.668 10 5 CDBEHN CN1CCOC[C@@H]1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599075789 343949434 /nfs/dbraw/zinc/94/94/34/343949434.db2.gz ACILJFUFFWZBQX-SMDDNHRTSA-N 0 3 291.351 1.502 10 5 CDBEHN CCN1CCO[C@@H](CN[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000253192272 350488743 /nfs/dbraw/zinc/48/87/43/350488743.db2.gz MXRQCWQNFGYBRY-DOMZBBRYSA-N 0 3 293.367 1.966 10 5 CDBEHN COC[C@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292110064 198165951 /nfs/dbraw/zinc/16/59/51/198165951.db2.gz IXWFBAQHAZNCHW-SNVBAGLBSA-N 0 3 268.313 1.427 10 5 CDBEHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCN2C)n1 ZINC000225807742 358092268 /nfs/dbraw/zinc/09/22/68/358092268.db2.gz JEDUIFKRRKRUBN-VIFPVBQESA-N 0 3 294.311 1.283 10 5 CDBEHN CNc1ccc(C(=O)N2CC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000062984692 358821022 /nfs/dbraw/zinc/82/10/22/358821022.db2.gz UPLIEXZGZXCUNV-NSHDSACASA-N 0 3 292.339 1.413 10 5 CDBEHN CCN1CC[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000389375292 359050913 /nfs/dbraw/zinc/05/09/13/359050913.db2.gz MEAVKGOTBBJOAX-NSHDSACASA-N 0 3 267.304 1.918 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCCC[C@H]2C2(O)CC2)c1 ZINC000573183570 361708220 /nfs/dbraw/zinc/70/82/20/361708220.db2.gz KHRSDNVTQMWARG-LBPRGKRZSA-N 0 3 280.328 1.171 10 5 CDBEHN CCN1CC[C@@H](Nc2c([N+](=O)[O-])nc(C)n2CC)C1 ZINC000389472112 369254909 /nfs/dbraw/zinc/25/49/09/369254909.db2.gz VCACUMAKOMIEJX-SNVBAGLBSA-N 0 3 267.333 1.626 10 5 CDBEHN C[C@@H](NCCC(=O)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000037751809 370055846 /nfs/dbraw/zinc/05/58/46/370055846.db2.gz SXVLIKFKSSDYDG-SNVBAGLBSA-N 0 3 265.313 1.724 10 5 CDBEHN CC[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000601204103 375393772 /nfs/dbraw/zinc/39/37/72/375393772.db2.gz ZLHALELBUKTMMN-WCBMZHEXSA-N 0 3 268.292 1.706 10 5 CDBEHN O=[N+]([O-])c1ccccc1NCCN1CCC(CO)CC1 ZINC000068764285 377718609 /nfs/dbraw/zinc/71/86/09/377718609.db2.gz MSMUGXBBXDVFLP-UHFFFAOYSA-N 0 3 279.340 1.711 10 5 CDBEHN CC[C@H](N)[C@H](C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942558 177904855 /nfs/dbraw/zinc/90/48/55/177904855.db2.gz KYJZGZAVQBVKJZ-IUCAKERBSA-N 0 3 272.326 1.494 10 5 CDBEHN CC(C)N(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCOC1 ZINC000291393932 391010967 /nfs/dbraw/zinc/01/09/67/391010967.db2.gz BLPRORNPFNDHSQ-NSHDSACASA-N 0 3 268.317 1.291 10 5 CDBEHN C[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000093334140 391680101 /nfs/dbraw/zinc/68/01/01/391680101.db2.gz KRTQOJIYHJIMFZ-RISCZKNCSA-N 0 3 280.324 1.676 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCCCC[C@@H]2CCO)c1 ZINC000342056318 130226487 /nfs/dbraw/zinc/22/64/87/130226487.db2.gz HLMYAHCPWAVSHD-GFCCVEGCSA-N 0 3 282.344 1.418 10 5 CDBEHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532388421 393072608 /nfs/dbraw/zinc/07/26/08/393072608.db2.gz PXIMWBJEFHLWAP-NSHDSACASA-N 0 3 292.339 1.594 10 5 CDBEHN C[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000093345021 147048090 /nfs/dbraw/zinc/04/80/90/147048090.db2.gz VWCZPBSFCRGFPU-RISCZKNCSA-N 0 3 264.325 1.840 10 5 CDBEHN CC(C)COC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176214368 148028724 /nfs/dbraw/zinc/02/87/24/148028724.db2.gz MSAZEPHQLYRGFG-UHFFFAOYSA-N 0 3 296.371 1.928 10 5 CDBEHN CN[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300219 175000822 /nfs/dbraw/zinc/00/08/22/175000822.db2.gz MQBWUNSYTJRFMS-CMPLNLGQSA-N 0 3 284.337 1.290 10 5 CDBEHN Nc1c([N+](=O)[O-])cnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000043669923 175086697 /nfs/dbraw/zinc/08/66/97/175086697.db2.gz GGOJOVFDRLAUPY-LBPRGKRZSA-N 0 3 287.323 1.821 10 5 CDBEHN CCCNCC(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000044288054 175159782 /nfs/dbraw/zinc/15/97/82/175159782.db2.gz ZPEBQDPGMYUREB-UHFFFAOYSA-N 0 3 251.286 1.841 10 5 CDBEHN COCCOCCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000044694016 175234791 /nfs/dbraw/zinc/23/47/91/175234791.db2.gz KHYRXSMHJZVJEU-NSHDSACASA-N 0 3 268.313 1.908 10 5 CDBEHN CCN[C@H]1CCN(c2ccc([N+](=O)[O-])cc2OC)C1=O ZINC000071042995 176028929 /nfs/dbraw/zinc/02/89/29/176028929.db2.gz NSRMUMYYLPLONV-JTQLQIEISA-N 0 3 279.296 1.318 10 5 CDBEHN O=[N+]([O-])c1ccc(CCN2CCCN(CCO)CC2)cc1 ZINC000071350595 176133549 /nfs/dbraw/zinc/13/35/49/176133549.db2.gz BCTHDMKPPPMYEK-UHFFFAOYSA-N 0 3 293.367 1.137 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272539891 277081135 /nfs/dbraw/zinc/08/11/35/277081135.db2.gz XTJAQWSYXXMTKM-VIFPVBQESA-N 0 3 278.312 1.001 10 5 CDBEHN C[C@@H]1CCN(CC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000561308895 293076930 /nfs/dbraw/zinc/07/69/30/293076930.db2.gz JRUVFLRMJOQYIB-GFCCVEGCSA-N 0 3 291.351 1.595 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(O[C@H]2CCOC2=O)c1 ZINC000050516984 520002448 /nfs/dbraw/zinc/00/24/48/520002448.db2.gz HBAAUYBIOSLCFZ-NSHDSACASA-N 0 3 280.280 1.399 10 5 CDBEHN CCCN[C@@](C)(COc1ccc(F)cc1[N+](=O)[O-])C(N)=O ZINC000052065938 520038712 /nfs/dbraw/zinc/03/87/12/520038712.db2.gz MKZOCNBCTLGPKT-ZDUSSCGKSA-N 0 3 299.302 1.356 10 5 CDBEHN CCC[C@H](C)NC(=O)COc1ccc(CN)cc1[N+](=O)[O-] ZINC000049287190 521044891 /nfs/dbraw/zinc/04/48/91/521044891.db2.gz XCNVWCLKYJOIFL-JTQLQIEISA-N 0 3 295.339 1.737 10 5 CDBEHN CNCc1cc([N+](=O)[O-])ccc1OC1CCOCC1 ZINC000069288952 522114259 /nfs/dbraw/zinc/11/42/59/522114259.db2.gz BAZWKBWNIKIJHC-UHFFFAOYSA-N 0 3 266.297 1.872 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(OCCCC(=O)OC)c1 ZINC000050516698 522124600 /nfs/dbraw/zinc/12/46/00/522124600.db2.gz ZCPXOKXSEKACPE-UHFFFAOYSA-N 0 3 282.296 1.646 10 5 CDBEHN CNc1c(C(=O)N2CC[C@@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000161480546 522536787 /nfs/dbraw/zinc/53/67/87/522536787.db2.gz KSAOLAJJWUSBAC-SNVBAGLBSA-N 0 3 292.339 1.413 10 5 CDBEHN CN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050708169 523794725 /nfs/dbraw/zinc/79/47/25/523794725.db2.gz CWYZCWYYPFYSFM-LLVKDONJSA-N 0 3 292.339 1.391 10 5 CDBEHN CN1CCCN(c2ccc([N+](=O)[O-])cc2N)CC1 ZINC000052840123 523812987 /nfs/dbraw/zinc/81/29/87/523812987.db2.gz ZZPBRRJOYPGYDT-UHFFFAOYSA-N 0 3 250.302 1.319 10 5 CDBEHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H]3C[C@@H]32)c1 ZINC000761092448 576546937 /nfs/dbraw/zinc/54/69/37/576546937.db2.gz LFQWOZVUDXQRGF-QKCSRTOESA-N 0 3 278.308 1.429 10 5 CDBEHN CCn1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])c1Cl ZINC000813108096 617345208 /nfs/dbraw/zinc/34/52/08/617345208.db2.gz AFOPQGGMUJIVMQ-ZCFIWIBFSA-N 0 3 275.692 1.687 10 5 CDBEHN CC(COC(=O)COCCc1ccccc1)[N+](=O)[O-] ZINC000813108883 617345572 /nfs/dbraw/zinc/34/55/72/617345572.db2.gz MJHIXLFYRUHBOD-LLVKDONJSA-N 0 3 267.281 1.454 10 5 CDBEHN CC(COC(=O)c1cnn(C)c1Br)[N+](=O)[O-] ZINC000813111747 617346350 /nfs/dbraw/zinc/34/63/50/617346350.db2.gz WOMUUCBGQPXPPZ-YFKPBYRVSA-N 0 3 292.089 1.005 10 5 CDBEHN C[C@H]1[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000928448230 619098632 /nfs/dbraw/zinc/09/86/32/619098632.db2.gz MUFVECLBRWPNIZ-GWCFXTLKSA-N 0 3 277.324 1.346 10 5 CDBEHN CC[C@@H](NC[C@@H](O)C1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000930233440 695794049 /nfs/dbraw/zinc/79/40/49/695794049.db2.gz QKXYTBQMDDUJTC-ZIAGYGMSSA-N 0 3 294.351 1.911 10 5 CDBEHN CC(COC(=O)C1=Cc2cc(F)ccc2OC1)[N+](=O)[O-] ZINC000813113114 695819289 /nfs/dbraw/zinc/81/92/89/695819289.db2.gz BHVIQCGPTRTSJS-MRVPVSSYSA-N 0 3 281.239 1.810 10 5 CDBEHN COC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813101861 695854383 /nfs/dbraw/zinc/85/43/83/695854383.db2.gz KFTGIXGITZIGGJ-QMMMGPOBSA-N 0 3 267.237 1.295 10 5 CDBEHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C1(O)CCC1 ZINC000930353639 695860370 /nfs/dbraw/zinc/86/03/70/695860370.db2.gz LXUFRUOTFCUAHR-CQSZACIVSA-N 0 3 294.351 1.345 10 5 CDBEHN CC(COC(=O)Cn1ncc2ccccc21)[N+](=O)[O-] ZINC000813114384 695927120 /nfs/dbraw/zinc/92/71/20/695927120.db2.gz QVTTUIIMNKJQTF-VIFPVBQESA-N 0 3 263.253 1.245 10 5 CDBEHN COc1ccc(COCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813105544 696021045 /nfs/dbraw/zinc/02/10/45/696021045.db2.gz OFQUCTXWZAZIAC-SNVBAGLBSA-N 0 3 283.280 1.420 10 5 CDBEHN O=C1C[C@H](CN2CCc3c(cccc3[N+](=O)[O-])C2)CN1 ZINC000851869622 696039157 /nfs/dbraw/zinc/03/91/57/696039157.db2.gz MLUDFUFJFHEOTN-JTQLQIEISA-N 0 3 275.308 1.089 10 5 CDBEHN CC(COC(=O)c1scnc1Br)[N+](=O)[O-] ZINC000813102228 696084332 /nfs/dbraw/zinc/08/43/32/696084332.db2.gz PMVMAABDZMLGKG-SCSAIBSYSA-N 0 3 295.114 1.728 10 5 CDBEHN COc1ccc(CN[C@@H]2CC23CC(O)C3)cc1[N+](=O)[O-] ZINC000724913413 696098964 /nfs/dbraw/zinc/09/89/64/696098964.db2.gz KYZKIWWBSLTODF-IWXRYERYSA-N 0 3 278.308 1.606 10 5 CDBEHN CC(COC(=O)[C@H]1OCCc2ccccc21)[N+](=O)[O-] ZINC000813108569 1163815556 /nfs/dbraw/zinc/81/55/56/1163815556.db2.gz ZWKUZPWGXIXYNV-CABZTGNLSA-N 0 3 265.265 1.509 10 5 CDBEHN CC[C@@H]1C[C@@H](CC(=O)OCC(C)[N+](=O)[O-])CCO1 ZINC000813114857 1163817780 /nfs/dbraw/zinc/81/77/80/1163817780.db2.gz HUGLWBCFRFMHPI-OUAUKWLOSA-N 0 3 259.302 1.790 10 5 CDBEHN CC(=Cc1cccc([N+](=O)[O-])c1)CNCc1c[nH]nn1 ZINC001656694119 1171861354 /nfs/dbraw/zinc/86/13/54/1171861354.db2.gz SQSZJHPUIUZBHX-YHYXMXQVSA-N 0 3 273.296 1.906 10 5 CDBEHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C1(O)CCC1 ZINC000930439444 723737449 /nfs/dbraw/zinc/73/74/49/723737449.db2.gz HUNSRLBJIGKFAR-CQSZACIVSA-N 0 3 294.351 1.345 10 5 CDBEHN C[C@@H]1[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000928458712 723730224 /nfs/dbraw/zinc/73/02/24/723730224.db2.gz XOKFSFPGAIVGEW-ZWNOBZJWSA-N 0 3 293.323 1.182 10 5 CDBEHN CC(COC(=O)[C@H](c1ccccc1)n1cccn1)[N+](=O)[O-] ZINC000813112926 723745270 /nfs/dbraw/zinc/74/52/70/723745270.db2.gz MGOBMIXXGKUJCP-AAEUAGOBSA-N 0 3 289.291 1.681 10 5 CDBEHN CC(C)c1ncncc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103930 723874849 /nfs/dbraw/zinc/87/48/49/723874849.db2.gz INVGSAHGCXZLJI-QMMMGPOBSA-N 0 3 253.258 1.422 10 5 CDBEHN CC(COC(=O)c1cccc2c1CC(=O)CC2)[N+](=O)[O-] ZINC000813107268 724207662 /nfs/dbraw/zinc/20/76/62/724207662.db2.gz ODCXDKAYCWCTQN-SECBINFHSA-N 0 3 277.276 1.566 10 5 CDBEHN CCc1noc(CC)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813108917 724241248 /nfs/dbraw/zinc/24/12/48/724241248.db2.gz CASYDLYCHLKMPI-MRVPVSSYSA-N 0 3 270.285 1.550 10 5 CDBEHN CC(COC(=O)C(F)(F)C1CCOCC1)[N+](=O)[O-] ZINC000813111679 724458524 /nfs/dbraw/zinc/45/85/24/724458524.db2.gz KHQHBBQMWKIZFY-SSDOTTSWSA-N 0 3 267.228 1.257 10 5 CDBEHN Cc1ccnc(N[C@H]2CCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000719623761 724459786 /nfs/dbraw/zinc/45/97/86/724459786.db2.gz JLZHEBMDNKRWKW-UWVGGRQHSA-N 0 3 250.302 1.803 10 5 CDBEHN CCCCn1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1 ZINC000813114304 724576078 /nfs/dbraw/zinc/57/60/78/724576078.db2.gz PHKWOTLRWHVWPF-SECBINFHSA-N 0 3 269.301 1.814 10 5 CDBEHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000852538372 723833820 /nfs/dbraw/zinc/83/38/20/723833820.db2.gz FFSSCQYFAKCHOP-FPMFFAJLSA-N 0 3 278.308 1.085 10 5 CDBEHN CC[S@@](=O)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000134732814 725369800 /nfs/dbraw/zinc/36/98/00/725369800.db2.gz PZLBJBQNCWVEBY-SFHVURJKSA-N 0 3 270.354 1.761 10 5 CDBEHN O=[N+]([O-])c1ccc(F)cc1CN[C@@H](CO)C1CCC1 ZINC000717596816 725390826 /nfs/dbraw/zinc/39/08/26/725390826.db2.gz ZGTRBGLSHBTVHN-LBPRGKRZSA-N 0 3 268.288 1.985 10 5 CDBEHN CC(COC(=O)[C@@H]1CCCN1CC(F)(F)F)[N+](=O)[O-] ZINC000813107548 725452947 /nfs/dbraw/zinc/45/29/47/725452947.db2.gz SPBVTHYGDZRNQA-YUMQZZPRSA-N 0 3 284.234 1.222 10 5 CDBEHN Cc1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000928444778 725562757 /nfs/dbraw/zinc/56/27/57/725562757.db2.gz MIXFBEGJXUMALW-ZWNOBZJWSA-N 0 3 277.324 1.726 10 5 CDBEHN COc1ccc(CN[C@H]2CC23CC(O)C3)cc1[N+](=O)[O-] ZINC000724913410 725618677 /nfs/dbraw/zinc/61/86/77/725618677.db2.gz KYZKIWWBSLTODF-AWAWDMARSA-N 0 3 278.308 1.606 10 5 CDBEHN CCC(=O)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001565836425 1168179684 /nfs/dbraw/zinc/17/96/84/1168179684.db2.gz NQSRWLDVQTXHEH-BJHJDKERSA-N 0 3 291.351 1.989 10 5 CDBEHN CN1C[C@H]2[C@@H](CCN2CCOc2ccccc2[N+](=O)[O-])C1 ZINC000590010313 342519171 /nfs/dbraw/zinc/51/91/71/342519171.db2.gz AZWOJARFCYPXJR-JSGCOSHPSA-N 0 3 291.351 1.610 10 5 CDBEHN CN1C[C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590043485 342520360 /nfs/dbraw/zinc/52/03/60/342520360.db2.gz AHFAHDHNSLVNOI-TVQRCGJNSA-N 0 3 293.298 1.510 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590446069 342546521 /nfs/dbraw/zinc/54/65/21/342546521.db2.gz QZEUPCONUKFTTN-MFKMUULPSA-N 0 3 290.323 1.074 10 5 CDBEHN CO[C@](C)(CO)CNCc1ccc([N+](=O)[O-])cc1 ZINC000594509535 342915062 /nfs/dbraw/zinc/91/50/62/342915062.db2.gz JHSMKIFCIWBVDO-LBPRGKRZSA-N 0 3 254.286 1.082 10 5 CDBEHN C[C@@H]1COCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000277304745 539112449 /nfs/dbraw/zinc/11/24/49/539112449.db2.gz COJQTONUACIUKW-BXKDBHETSA-N 0 3 293.323 1.208 10 5 CDBEHN O=[N+]([O-])c1cccc(CN[C@H]2C[C@H](O)C23CCC3)c1 ZINC000594985821 342993750 /nfs/dbraw/zinc/99/37/50/342993750.db2.gz AHAMXNYMLVRJOW-STQMWFEESA-N 0 3 262.309 1.988 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCCS(=O)(=O)CC1 ZINC000602006233 344319953 /nfs/dbraw/zinc/31/99/53/344319953.db2.gz RFOOIWJDWDCNPU-GFCCVEGCSA-N 0 3 298.364 1.652 10 5 CDBEHN NC(=O)C[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000120544743 362459300 /nfs/dbraw/zinc/45/93/00/362459300.db2.gz XYSYOWHMJSTPQA-ZDUSSCGKSA-N 0 3 277.324 1.825 10 5 CDBEHN CC(C)[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000283962737 136661403 /nfs/dbraw/zinc/66/14/03/136661403.db2.gz IASKVCHGASPDTH-HNNXBMFYSA-N 0 3 293.367 1.734 10 5 CDBEHN CCN1CCN(CCNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000344427588 362774940 /nfs/dbraw/zinc/77/49/40/362774940.db2.gz FWGWBATVJJGXFB-UHFFFAOYSA-N 0 3 279.344 1.039 10 5 CDBEHN CN(C[C@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])nc1 ZINC000344431750 362777315 /nfs/dbraw/zinc/77/73/15/362777315.db2.gz LBZPZXGESNQRKS-NSHDSACASA-N 0 3 264.329 1.768 10 5 CDBEHN CCN[C@H](CCO)C[S@](=O)c1ccc([N+](=O)[O-])cc1 ZINC000085928058 179202943 /nfs/dbraw/zinc/20/29/43/179202943.db2.gz NITINBTZNCSZKN-GIGQVBGESA-N 0 3 286.353 1.063 10 5 CDBEHN C[C@H](NCC1(O)CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000091957548 180292167 /nfs/dbraw/zinc/29/21/67/180292167.db2.gz AISSWPKOVJRFSY-NSHDSACASA-N 0 3 280.324 1.787 10 5 CDBEHN O=C1CC[C@@H](CNC/C=C/c2ccccc2[N+](=O)[O-])N1 ZINC000076759207 350594084 /nfs/dbraw/zinc/59/40/84/350594084.db2.gz XNLBQOFMYQTIMD-PYEVWLCESA-N 0 3 275.308 1.476 10 5 CDBEHN CC(C)N1CC[C@@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000066810810 350877066 /nfs/dbraw/zinc/87/70/66/350877066.db2.gz BITOYDMFDYISRR-SNVBAGLBSA-N 0 3 250.302 1.884 10 5 CDBEHN CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CNCCO1 ZINC000125359455 351430912 /nfs/dbraw/zinc/43/09/12/351430912.db2.gz NWNBRHACDKODMW-GFCCVEGCSA-N 0 3 265.313 1.015 10 5 CDBEHN CC(C)(C)[C@H](O)C[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000283798892 357602659 /nfs/dbraw/zinc/60/26/59/357602659.db2.gz AEXZGHMSTKFHPK-GXTWGEPZSA-N 0 3 296.367 1.842 10 5 CDBEHN CN(CCc1ccc([N+](=O)[O-])cc1)CC1(CO)CC1 ZINC000186777911 357688100 /nfs/dbraw/zinc/68/81/00/357688100.db2.gz YWWZKNMEPCRHKD-UHFFFAOYSA-N 0 3 264.325 1.842 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000194607109 358383658 /nfs/dbraw/zinc/38/36/58/358383658.db2.gz ZEARRWDZWHPSOI-GFCCVEGCSA-N 0 3 289.335 1.823 10 5 CDBEHN CNc1ccc(C(=O)N2CC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000062984693 358820962 /nfs/dbraw/zinc/82/09/62/358820962.db2.gz UPLIEXZGZXCUNV-LLVKDONJSA-N 0 3 292.339 1.413 10 5 CDBEHN CC[C@@H]1CN(CC)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000450823865 359007302 /nfs/dbraw/zinc/00/73/02/359007302.db2.gz CMMAVACKZHJTNF-LLVKDONJSA-N 0 3 264.329 1.910 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCC[C@]3(CCOC3)C2)c1 ZINC000451897564 359261867 /nfs/dbraw/zinc/26/18/67/359261867.db2.gz HPOPJXNOHCKBLX-ZDUSSCGKSA-N 0 3 280.328 1.294 10 5 CDBEHN COc1ccc(CNCC2(CCO)CC2)cc1[N+](=O)[O-] ZINC000157310643 237101223 /nfs/dbraw/zinc/10/12/23/237101223.db2.gz PETBQFJQFIHPRW-UHFFFAOYSA-N 0 3 280.324 1.856 10 5 CDBEHN CC(C)(C)[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1O ZINC000347787196 359646975 /nfs/dbraw/zinc/64/69/75/359646975.db2.gz HSOZYIBQUYSXCT-NEPJUHHUSA-N 0 3 296.371 1.520 10 5 CDBEHN O=[N+]([O-])c1cnc2c(c1)CN(CCCCCO)CC2 ZINC000347790149 359647656 /nfs/dbraw/zinc/64/76/56/359647656.db2.gz SOKNSHOVXPTNBY-UHFFFAOYSA-N 0 3 265.313 1.511 10 5 CDBEHN CN(CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000348347583 367206389 /nfs/dbraw/zinc/20/63/89/367206389.db2.gz KHQIRLFWKFWXMB-CYBMUJFWSA-N 0 3 250.298 1.858 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000170859336 369951083 /nfs/dbraw/zinc/95/10/83/369951083.db2.gz KVUVWJWWLTUDOP-NSHDSACASA-N 0 3 293.323 1.380 10 5 CDBEHN C[C@@H]1C[C@H](N(C)c2c([N+](=O)[O-])ncn2C)CCN1C ZINC000266213794 373975289 /nfs/dbraw/zinc/97/52/89/373975289.db2.gz GRDAOROOMRFKAK-NXEZZACHSA-N 0 3 267.333 1.247 10 5 CDBEHN COC(=O)[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000298729505 374083730 /nfs/dbraw/zinc/08/37/30/374083730.db2.gz OGMHLMAFIHMADO-LLVKDONJSA-N 0 3 294.307 1.469 10 5 CDBEHN COC[C@](C)(O)CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000449386810 374806761 /nfs/dbraw/zinc/80/67/61/374806761.db2.gz VEEKMHBQEUWTQF-CQSZACIVSA-N 0 3 298.339 1.481 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](O)C[C@H]1C ZINC000471802964 375056527 /nfs/dbraw/zinc/05/65/27/375056527.db2.gz DYSJGIHJQMUMFW-ZWNOBZJWSA-N 0 3 250.298 1.858 10 5 CDBEHN CC(C)[C@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000283902724 375127095 /nfs/dbraw/zinc/12/70/95/375127095.db2.gz FSLNLPKWLCOOHT-OAHLLOKOSA-N 0 3 293.367 1.734 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1COCC[C@H]1O ZINC000601159143 375391638 /nfs/dbraw/zinc/39/16/38/375391638.db2.gz HVKWGTMLJASZPW-CHWSQXEVSA-N 0 3 266.297 1.143 10 5 CDBEHN CN(C)C[C@@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000263919364 190085321 /nfs/dbraw/zinc/08/53/21/190085321.db2.gz NXYUGOKMNCOMBA-AWEZNQCLSA-N 0 3 291.351 1.690 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@]1(O)CCO[C@@H]1C ZINC000278557346 194043364 /nfs/dbraw/zinc/04/33/64/194043364.db2.gz CCTKGSDLZBIFTC-RISCZKNCSA-N 0 3 280.324 1.533 10 5 CDBEHN COC[C@@](C)(CCO)NCc1ccc([N+](=O)[O-])cc1 ZINC000175857641 390501040 /nfs/dbraw/zinc/50/10/40/390501040.db2.gz AZNFDUOWKJZNOB-CYBMUJFWSA-N 0 3 268.313 1.472 10 5 CDBEHN COc1cc(CN2C[C@@H]3CCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000451623178 390635164 /nfs/dbraw/zinc/63/51/64/390635164.db2.gz IPWCWXOQUHKOBD-GXTWGEPZSA-N 0 3 291.351 1.739 10 5 CDBEHN COC[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000452092319 391019060 /nfs/dbraw/zinc/01/90/60/391019060.db2.gz UKWDNJVYDSDMQO-GFCCVEGCSA-N 0 3 282.344 1.540 10 5 CDBEHN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425290496 393017265 /nfs/dbraw/zinc/01/72/65/393017265.db2.gz XRZHPRJPUBSEFP-NWDGAFQWSA-N 0 3 293.371 1.650 10 5 CDBEHN O=[N+]([O-])c1cc(CN2CC[C@H](c3nc[nH]n3)C2)cs1 ZINC000425351977 393020440 /nfs/dbraw/zinc/02/04/40/393020440.db2.gz HEMUGYKJKJWBPQ-VIFPVBQESA-N 0 3 279.325 1.764 10 5 CDBEHN O=C(NCCNCc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000061014384 146880721 /nfs/dbraw/zinc/88/07/21/146880721.db2.gz GTQDJGBGXWXLDK-UHFFFAOYSA-N 0 3 297.742 1.864 10 5 CDBEHN O=[N+]([O-])c1ccc(CCN2C[C@@H](O)C3(CC3)C2)cc1 ZINC000366627314 159387532 /nfs/dbraw/zinc/38/75/32/159387532.db2.gz DSONYLONNVCPEJ-CYBMUJFWSA-N 0 3 262.309 1.594 10 5 CDBEHN CCNCc1cc([N+](=O)[O-])ccc1OCCOC ZINC000035414675 172188814 /nfs/dbraw/zinc/18/88/14/172188814.db2.gz OSCZPRXLBLSINO-UHFFFAOYSA-N 0 3 254.286 1.730 10 5 CDBEHN CO[C@@H]1CN[C@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000040633265 174359510 /nfs/dbraw/zinc/35/95/10/174359510.db2.gz LNVRUGQRJMMUNP-WPRPVWTQSA-N 0 3 283.259 1.049 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)N1CCNCC1 ZINC000043511964 175060715 /nfs/dbraw/zinc/06/07/15/175060715.db2.gz GBCFLEPXPKPJPX-LLVKDONJSA-N 0 3 292.339 1.135 10 5 CDBEHN O=C1[C@H](NC2CC2)CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000071034370 176024009 /nfs/dbraw/zinc/02/40/09/176024009.db2.gz UFSJWOJMEJRJOS-CYBMUJFWSA-N 0 3 289.335 1.838 10 5 CDBEHN Cc1cc(N2CC[C@@H](NC3CC3)C2=O)ccc1[N+](=O)[O-] ZINC000071036323 176025373 /nfs/dbraw/zinc/02/53/73/176025373.db2.gz HWOKMTUDJWNMON-GFCCVEGCSA-N 0 3 275.308 1.761 10 5 CDBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000247466056 274375646 /nfs/dbraw/zinc/37/56/46/274375646.db2.gz RGRGAYRDIBSPSE-ZJUUUORDSA-N 0 3 279.296 1.497 10 5 CDBEHN C[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CCN1 ZINC000420188354 274600212 /nfs/dbraw/zinc/60/02/12/274600212.db2.gz OICVEDGGLIDWFN-JTQLQIEISA-N 0 3 272.308 1.941 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCCC1 ZINC000194772613 280054780 /nfs/dbraw/zinc/05/47/80/280054780.db2.gz LLKVVJOYEYFKTG-UHFFFAOYSA-N 0 3 277.324 1.729 10 5 CDBEHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H]1C1CC1 ZINC000453011260 280375915 /nfs/dbraw/zinc/37/59/15/280375915.db2.gz HMWBIKPVZWKWHV-QWHCGFSZSA-N 0 3 292.335 1.819 10 5 CDBEHN C[C@H](NCCCC(=O)NC(N)=O)c1ccccc1[N+](=O)[O-] ZINC000271813115 289950007 /nfs/dbraw/zinc/95/00/07/289950007.db2.gz YQQQXEVWXHESSL-VIFPVBQESA-N 0 3 294.311 1.221 10 5 CDBEHN COC[C@@H](C)CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000571150276 294376760 /nfs/dbraw/zinc/37/67/60/294376760.db2.gz OGOXJBJVVCCYCV-VIFPVBQESA-N 0 3 278.312 1.843 10 5 CDBEHN CC(C)NCc1ccc([N+](=O)[O-])c(OC[C@@H](C)O)c1 ZINC000050517158 519727489 /nfs/dbraw/zinc/72/74/89/519727489.db2.gz WUGLPIMQMSZCJA-SNVBAGLBSA-N 0 3 268.313 1.852 10 5 CDBEHN CC(C)[C@H](C)NC(=O)COc1ccc(CN)cc1[N+](=O)[O-] ZINC000049307223 519812512 /nfs/dbraw/zinc/81/25/12/519812512.db2.gz OUUKLBMXWKURNY-JTQLQIEISA-N 0 3 295.339 1.593 10 5 CDBEHN CCCNCc1cc([N+](=O)[O-])ccc1OC[C@@H](O)COC ZINC000069053615 519947852 /nfs/dbraw/zinc/94/78/52/519947852.db2.gz ZDEQWXUPUJVXOM-ZDUSSCGKSA-N 0 3 298.339 1.481 10 5 CDBEHN CCOC[C@@H](O)COc1cc(CNC)ccc1[N+](=O)[O-] ZINC000069275845 520105055 /nfs/dbraw/zinc/10/50/55/520105055.db2.gz PLTFNVXKPAVGAK-LLVKDONJSA-N 0 3 284.312 1.090 10 5 CDBEHN CCCNc1ccc(C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000050725901 520147825 /nfs/dbraw/zinc/14/78/25/520147825.db2.gz IMECGMKPQSYCMV-UHFFFAOYSA-N 0 3 294.355 1.708 10 5 CDBEHN CCCCNC(=O)COc1cc(CNC)ccc1[N+](=O)[O-] ZINC000050516723 520622183 /nfs/dbraw/zinc/62/21/83/520622183.db2.gz RZADZCWZTXTITG-UHFFFAOYSA-N 0 3 295.339 1.609 10 5 CDBEHN CN(C)CCN1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000061654827 521766321 /nfs/dbraw/zinc/76/63/21/521766321.db2.gz KPPNYXJSMIPNRV-UHFFFAOYSA-N 0 3 296.346 1.418 10 5 CDBEHN CNCc1cc([N+](=O)[O-])ccc1OCCC(=O)OC ZINC000069317183 522115744 /nfs/dbraw/zinc/11/57/44/522115744.db2.gz CFTDYPNHWBJTTF-UHFFFAOYSA-N 0 3 268.269 1.256 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(OCCCC(=O)N(C)C)c1 ZINC000050516648 522124963 /nfs/dbraw/zinc/12/49/63/522124963.db2.gz NVCRSGPFPQUOLF-UHFFFAOYSA-N 0 3 295.339 1.561 10 5 CDBEHN CN1CCC[C@@H](CNC(=O)c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000050708070 523815544 /nfs/dbraw/zinc/81/55/44/523815544.db2.gz HJOLNGHYQXDZCR-JTQLQIEISA-N 0 3 292.339 1.249 10 5 CDBEHN COCCNCc1ccc(OCC(F)F)c([N+](=O)[O-])c1 ZINC000062730701 523952825 /nfs/dbraw/zinc/95/28/25/523952825.db2.gz AGMIAXBEURZQMN-UHFFFAOYSA-N 0 3 290.266 1.975 10 5 CDBEHN C[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000299908822 524291126 /nfs/dbraw/zinc/29/11/26/524291126.db2.gz VWCZPBSFCRGFPU-SMDDNHRTSA-N 0 3 264.325 1.840 10 5 CDBEHN O=[N+]([O-])c1ccccc1CCN1CCC(CO)CC1 ZINC000062727283 527397236 /nfs/dbraw/zinc/39/72/36/527397236.db2.gz XSOPTRAVCIBNRV-UHFFFAOYSA-N 0 3 264.325 1.842 10 5 CDBEHN Cc1ccccc1OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813106600 617343455 /nfs/dbraw/zinc/34/34/55/617343455.db2.gz FRIGAQXKKOWYHY-SNVBAGLBSA-N 0 3 253.254 1.582 10 5 CDBEHN CCN1CCC[C@H]1CNc1nn(C)cc1[N+](=O)[O-] ZINC000231667043 1178173195 /nfs/dbraw/zinc/17/31/95/1178173195.db2.gz WWDRCGLSXDFHQM-VIFPVBQESA-N 0 3 253.306 1.225 10 5 CDBEHN CC(COC(=O)[C@@H]1COc2ccccc21)[N+](=O)[O-] ZINC000813107749 1163813543 /nfs/dbraw/zinc/81/35/43/1163813543.db2.gz VTFFXKLNHUSMLG-PSASIEDQSA-N 0 3 251.238 1.371 10 5 CDBEHN Cc1cc(=O)cc(C)n1CCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813112012 1163815670 /nfs/dbraw/zinc/81/56/70/1163815670.db2.gz MKGLQRMVJIECKJ-GFCCVEGCSA-N 0 3 296.323 1.454 10 5 CDBEHN [NH3+]CC[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000923480236 726015543 /nfs/dbraw/zinc/01/55/43/726015543.db2.gz GPQSZKWCDRSBGV-JTQLQIEISA-N 0 3 265.313 1.471 10 5 CDBEHN CC(COC(=O)CN(C)C(=O)c1cccs1)[N+](=O)[O-] ZINC000813101702 726379454 /nfs/dbraw/zinc/37/94/54/726379454.db2.gz HGHHAOKWOUOQTI-QMMMGPOBSA-N 0 3 286.309 1.029 10 5 CDBEHN NC(=O)[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000846046719 726837621 /nfs/dbraw/zinc/83/76/21/726837621.db2.gz OACAHMFFGYQYLL-OTSSQURYSA-N 0 3 283.715 1.602 10 5 CDBEHN CCCC(=O)N1CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813113937 726868705 /nfs/dbraw/zinc/86/87/05/726868705.db2.gz WQYCQLJPCSLVPA-GHMZBOCLSA-N 0 3 286.328 1.234 10 5 CDBEHN CCN1CCC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000823134043 726892319 /nfs/dbraw/zinc/89/23/19/726892319.db2.gz YWAHBZQCBPWSBY-NSHDSACASA-N 0 3 271.361 1.422 10 5 CDBEHN CN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000703515585 726893755 /nfs/dbraw/zinc/89/37/55/726893755.db2.gz AHNNMZGFZWVQLO-AOOOYVTPSA-N 0 3 281.287 1.430 10 5 CDBEHN CC[S@](=O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000134734697 726898245 /nfs/dbraw/zinc/89/82/45/726898245.db2.gz ZTPYEVZMHIVRST-QGZVFWFLSA-N 0 3 256.327 1.453 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CNC[C@H](O)C1CC1 ZINC000071305256 726952673 /nfs/dbraw/zinc/95/26/73/726952673.db2.gz WNBALTQWFMVECV-LBPRGKRZSA-N 0 3 266.297 1.464 10 5 CDBEHN CC(COC(=O)CCc1nc(-c2ccoc2)no1)[N+](=O)[O-] ZINC000813103592 727234465 /nfs/dbraw/zinc/23/44/65/727234465.db2.gz QVUJXAYGAZHDKI-MRVPVSSYSA-N 0 3 295.251 1.471 10 5 CDBEHN Cc1ccc(O[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813107935 727834680 /nfs/dbraw/zinc/83/46/80/727834680.db2.gz RUKROJOIYYSMQW-WDEREUQCSA-N 0 3 267.281 1.971 10 5 CDBEHN CCCc1ncc(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813110962 727868884 /nfs/dbraw/zinc/86/88/84/727868884.db2.gz MZXBPICUBUNCCP-SSDOTTSWSA-N 0 3 258.299 1.918 10 5 CDBEHN C[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000815165804 728330624 /nfs/dbraw/zinc/33/06/24/728330624.db2.gz WKQGTICASYBDQG-NRUUGDAUSA-N 0 3 250.298 1.968 10 5 CDBEHN CC(COC(=O)c1ccnn1C1CCOCC1)[N+](=O)[O-] ZINC000851036370 927504633 /nfs/dbraw/zinc/50/46/33/927504633.db2.gz ILXTZJCZYWQGKB-SECBINFHSA-N 0 3 283.284 1.057 10 5 CDBEHN CNC(=O)[C@H]1CCC[C@@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000787994226 929450680 /nfs/dbraw/zinc/45/06/80/929450680.db2.gz DFSPGNULPMYRCZ-RYUDHWBXSA-N 0 3 295.314 1.738 10 5 CDBEHN NC(=O)CC1CC(NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000718502313 934824859 /nfs/dbraw/zinc/82/48/59/934824859.db2.gz LHFPWCSJYRXQKA-UHFFFAOYSA-N 0 3 297.742 1.992 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590046945 342520928 /nfs/dbraw/zinc/52/09/28/342520928.db2.gz OSEPGRQBJOGYPG-TZMCWYRMSA-N 0 3 289.335 1.300 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1N1CCCN(CCO)CC1 ZINC000096832854 185115437 /nfs/dbraw/zinc/11/54/37/185115437.db2.gz LKLSZYSYCWQFPS-UHFFFAOYSA-N 0 3 279.340 1.408 10 5 CDBEHN O=C(NC[C@H]1CCN1C1CCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000600472677 342215375 /nfs/dbraw/zinc/21/53/75/342215375.db2.gz OEORJCMNMYWDLN-SNVBAGLBSA-N 0 3 293.327 1.065 10 5 CDBEHN O=C(NC[C@H]1CCN1C1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000600472677 342215376 /nfs/dbraw/zinc/21/53/76/342215376.db2.gz OEORJCMNMYWDLN-SNVBAGLBSA-N 0 3 293.327 1.065 10 5 CDBEHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCC[C@@]1(O)CCOC1 ZINC000594507382 342914775 /nfs/dbraw/zinc/91/47/75/342914775.db2.gz LCKCVKLNRCSCRA-DZGCQCFKSA-N 0 3 292.335 1.713 10 5 CDBEHN CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H](CN)C(F)(F)F ZINC000595991663 343212551 /nfs/dbraw/zinc/21/25/51/343212551.db2.gz FXENFVIXGUYIFR-ZCFIWIBFSA-N 0 3 281.190 1.149 10 5 CDBEHN CN1CCOC[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000599004665 343937810 /nfs/dbraw/zinc/93/78/10/343937810.db2.gz WSFYOXAMPNTCMW-GFCCVEGCSA-N 0 3 265.313 1.015 10 5 CDBEHN Cc1ccc(CNC[C@@H](O)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000598989823 343935343 /nfs/dbraw/zinc/93/53/43/343935343.db2.gz BTVHZLVRFIOVEJ-KGLIPLIRSA-N 0 3 280.324 1.533 10 5 CDBEHN C[C@H](N[C@@H]1CCOC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000599080958 343957314 /nfs/dbraw/zinc/95/73/14/343957314.db2.gz MBKJQXYPZBLTCX-BIMULSAOSA-N 0 3 266.297 1.395 10 5 CDBEHN C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000292869539 362507418 /nfs/dbraw/zinc/50/74/18/362507418.db2.gz AXJNNKCYWZOVEC-WZRBSPASSA-N 0 3 280.324 1.675 10 5 CDBEHN COC(=O)C[C@H]1c2ccccc2[C@H](O)C1[N+](=O)[O-] ZINC000584607263 346498910 /nfs/dbraw/zinc/49/89/10/346498910.db2.gz QXUPQFHZOZQUQT-WCQGTBRESA-N 0 3 251.238 1.026 10 5 CDBEHN CCOC[C@@H](O)CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000075611642 346763829 /nfs/dbraw/zinc/76/38/29/346763829.db2.gz HDHLFFMAWCCLML-FZMZJTMJSA-N 0 3 282.340 1.985 10 5 CDBEHN NCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000085810163 179177814 /nfs/dbraw/zinc/17/78/14/179177814.db2.gz VUXLZURIIXDZRH-UHFFFAOYSA-N 0 3 261.237 1.899 10 5 CDBEHN CN(C)C[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000157398728 188314277 /nfs/dbraw/zinc/31/42/77/188314277.db2.gz PKOOLGHKEVYSSB-SNVBAGLBSA-N 0 3 292.339 1.343 10 5 CDBEHN COCC[C@H](COC)NCc1cccc([N+](=O)[O-])c1 ZINC000336817206 356282238 /nfs/dbraw/zinc/28/22/38/356282238.db2.gz PETMSJYDRUYEOP-GFCCVEGCSA-N 0 3 268.313 1.736 10 5 CDBEHN CN(C[C@H]1CCCN(C)C1)c1ccncc1[N+](=O)[O-] ZINC000360337260 357070484 /nfs/dbraw/zinc/07/04/84/357070484.db2.gz RMSNYYJGBYKSFG-NSHDSACASA-N 0 3 264.329 1.768 10 5 CDBEHN C[C@H](CNc1ccncc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000340149548 359579424 /nfs/dbraw/zinc/57/94/24/359579424.db2.gz DPHIVKDLKKEROJ-NWDGAFQWSA-N 0 3 278.356 1.944 10 5 CDBEHN CC(C)(C)[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1O ZINC000347787202 359647010 /nfs/dbraw/zinc/64/70/10/359647010.db2.gz HSOZYIBQUYSXCT-VXGBXAGGSA-N 0 3 296.371 1.520 10 5 CDBEHN COC[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000181648589 189303523 /nfs/dbraw/zinc/30/35/23/189303523.db2.gz MHBCAHMYJHEDNS-ZDUSSCGKSA-N 0 3 290.323 1.769 10 5 CDBEHN COCCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000301653725 201119712 /nfs/dbraw/zinc/11/97/12/201119712.db2.gz RFCNNWKOBLDKBF-GFCCVEGCSA-N 0 3 294.355 1.821 10 5 CDBEHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N1CCCC1 ZINC000042507486 364593405 /nfs/dbraw/zinc/59/34/05/364593405.db2.gz GGQSDSBWQOOUHE-VIFPVBQESA-N 0 3 267.285 1.402 10 5 CDBEHN NC(=O)C1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000037563119 369079435 /nfs/dbraw/zinc/07/94/35/369079435.db2.gz MFHXBFWUAYMGTC-UHFFFAOYSA-N 0 3 283.353 1.790 10 5 CDBEHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000531887496 374514462 /nfs/dbraw/zinc/51/44/62/374514462.db2.gz YGSJLTJWRYVCAP-UWVGGRQHSA-N 0 3 290.323 1.345 10 5 CDBEHN CCn1cc([N+](=O)[O-])c(C(=O)NC2CCN(CC)CC2)n1 ZINC000331204471 374903773 /nfs/dbraw/zinc/90/37/73/374903773.db2.gz OGCAAEJNLGTKKQ-UHFFFAOYSA-N 0 3 295.343 1.025 10 5 CDBEHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000282303272 375076752 /nfs/dbraw/zinc/07/67/52/375076752.db2.gz JWMNYWXHMKQZCA-OUJBWJOFSA-N 0 3 277.324 1.913 10 5 CDBEHN CN(c1ccc([N+](=O)[O-])cn1)[C@H]1CCN(C2CC2)C1 ZINC000352958413 375558133 /nfs/dbraw/zinc/55/81/33/375558133.db2.gz JVUDVMGUNYAQKB-LBPRGKRZSA-N 0 3 262.313 1.663 10 5 CDBEHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])n2C)CCN1C ZINC000356359861 375837029 /nfs/dbraw/zinc/83/70/29/375837029.db2.gz JAABAQCIFPOIQQ-GHMZBOCLSA-N 0 3 294.355 1.488 10 5 CDBEHN COCCCN(CCO)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000446081690 250266524 /nfs/dbraw/zinc/26/65/24/250266524.db2.gz WMODXUDLXGDREN-UHFFFAOYSA-N 0 3 298.339 1.434 10 5 CDBEHN O=[N+]([O-])c1ccc2nc([S@@](=O)C[C@@H]3CCC[NH2+]3)[n-]c2c1 ZINC000095092120 285141416 /nfs/dbraw/zinc/14/14/16/285141416.db2.gz ANOGWSIGOQUXCL-FFVOIRBGSA-N 0 3 294.336 1.331 10 5 CDBEHN O=[N+]([O-])c1ccc2[n-]c([S@@](=O)C[C@@H]3CCC[NH2+]3)nc2c1 ZINC000095092120 285141417 /nfs/dbraw/zinc/14/14/17/285141417.db2.gz ANOGWSIGOQUXCL-FFVOIRBGSA-N 0 3 294.336 1.331 10 5 CDBEHN C[C@H](Cn1cncn1)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284001027 390576031 /nfs/dbraw/zinc/57/60/31/390576031.db2.gz HTKIZKZXQFIFCN-ZJUUUORDSA-N 0 3 290.327 1.508 10 5 CDBEHN COC[C@H](O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544103 390631597 /nfs/dbraw/zinc/63/15/97/390631597.db2.gz DRWWXRODUGNXAL-DZGCQCFKSA-N 0 3 294.351 1.782 10 5 CDBEHN CNC(=O)[C@H]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000420968168 392922743 /nfs/dbraw/zinc/92/27/43/392922743.db2.gz BJZCTFICXFEDRR-PWSUYJOCSA-N 0 3 277.324 1.724 10 5 CDBEHN CC(C)C[C@@H](CO)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000185370304 140039751 /nfs/dbraw/zinc/03/97/51/140039751.db2.gz KJAXLDYIIZKPPX-NSHDSACASA-N 0 3 270.333 1.130 10 5 CDBEHN O=C(Cc1ccccc1[N+](=O)[O-])N1CCN2CCC[C@@H]2C1 ZINC000195316343 140153492 /nfs/dbraw/zinc/15/34/92/140153492.db2.gz PATDGACBXXFQJJ-CYBMUJFWSA-N 0 3 289.335 1.444 10 5 CDBEHN O=[N+]([O-])c1ccc(CCNCc2cn3cccnc3n2)cc1 ZINC000343605434 152240606 /nfs/dbraw/zinc/24/06/06/152240606.db2.gz ULJMYWUUPYSUFK-UHFFFAOYSA-N 0 3 297.318 1.970 10 5 CDBEHN CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CCN(C2CC2)C1 ZINC000347007690 153376360 /nfs/dbraw/zinc/37/63/60/153376360.db2.gz HLCATJZCJJMHLL-NSHDSACASA-N 0 3 292.339 1.242 10 5 CDBEHN CN[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300211 175001088 /nfs/dbraw/zinc/00/10/88/175001088.db2.gz NUNRKESZPMSGRI-JQWIXIFHSA-N 0 3 284.337 1.290 10 5 CDBEHN CCN[C@H]1CCN(c2ccc(F)c([N+](=O)[O-])c2)C1=O ZINC000071039945 176027226 /nfs/dbraw/zinc/02/72/26/176027226.db2.gz GQYBRMKFNXMJMY-JTQLQIEISA-N 0 3 267.260 1.449 10 5 CDBEHN CN[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2OC)C1=O ZINC000071042989 176029351 /nfs/dbraw/zinc/02/93/51/176029351.db2.gz MWAJNGHFWBGRSZ-SNVBAGLBSA-N 0 3 279.296 1.318 10 5 CDBEHN C[C@H](CC(N)=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000161361036 279250482 /nfs/dbraw/zinc/25/04/82/279250482.db2.gz QIWXXRZBTJIFFU-RKDXNWHRSA-N 0 3 251.286 1.509 10 5 CDBEHN CC(C)OCCOc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516103 519768921 /nfs/dbraw/zinc/76/89/21/519768921.db2.gz IQXCQFNTEKFGOS-UHFFFAOYSA-N 0 3 254.286 1.857 10 5 CDBEHN CCCN[C@@H](CCOc1cc(F)ccc1[N+](=O)[O-])C(N)=O ZINC000062540118 520004648 /nfs/dbraw/zinc/00/46/48/520004648.db2.gz PTWOFNPYXLZEGM-JTQLQIEISA-N 0 3 299.302 1.356 10 5 CDBEHN CCN[C@@H](CCOc1ccc([N+](=O)[O-])c(C)c1)C(N)=O ZINC000062539967 520092571 /nfs/dbraw/zinc/09/25/71/520092571.db2.gz UIBBPQRCCAHZQR-NSHDSACASA-N 0 3 281.312 1.136 10 5 CDBEHN CCN[C@H](CCOc1c(C)cc(C)cc1[N+](=O)[O-])C(N)=O ZINC000062595600 520191881 /nfs/dbraw/zinc/19/18/81/520191881.db2.gz HVJONNIYOVKCIR-LLVKDONJSA-N 0 3 295.339 1.444 10 5 CDBEHN CCOc1ccc(NC(=O)[C@H](N)CCOC)c([N+](=O)[O-])c1 ZINC000052792567 521108553 /nfs/dbraw/zinc/10/85/53/521108553.db2.gz NGHHTJARMPJKPG-SNVBAGLBSA-N 0 3 297.311 1.296 10 5 CDBEHN COCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000052792103 521947043 /nfs/dbraw/zinc/94/70/43/521947043.db2.gz OBZXFNYEJCNVDJ-VIFPVBQESA-N 0 3 287.703 1.551 10 5 CDBEHN CN[C@@](C)(COc1c(C)cc(C)cc1[N+](=O)[O-])C(N)=O ZINC000050442072 522414235 /nfs/dbraw/zinc/41/42/35/522414235.db2.gz RUVOQGIJAXAREH-ZDUSSCGKSA-N 0 3 281.312 1.054 10 5 CDBEHN CS(=O)(=O)CCCNCCc1ccccc1[N+](=O)[O-] ZINC000062726350 525117339 /nfs/dbraw/zinc/11/73/39/525117339.db2.gz HKRRHOHKKXFLHE-UHFFFAOYSA-N 0 3 286.353 1.162 10 5 CDBEHN C[C@H](NCCc1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000062726400 525369359 /nfs/dbraw/zinc/36/93/59/525369359.db2.gz JFCUIUYJYCVOOI-JTQLQIEISA-N 0 3 265.313 1.204 10 5 CDBEHN Cc1nn([C@@H]2CCN(C3CC3)C2)c(N)c1[N+](=O)[O-] ZINC000061989984 526303004 /nfs/dbraw/zinc/30/30/04/526303004.db2.gz WYSOCSOEBAJFBJ-SECBINFHSA-N 0 3 251.290 1.091 10 5 CDBEHN O=[N+]([O-])c1cccc(CNCCOC[C@@H]2CCCO2)c1 ZINC000115625292 1174942613 /nfs/dbraw/zinc/94/26/13/1174942613.db2.gz YGEYMLDVCAORKC-AWEZNQCLSA-N 0 3 280.324 1.880 10 5 CDBEHN Cc1nn(C)c(C)c1[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813115138 617349253 /nfs/dbraw/zinc/34/92/53/617349253.db2.gz LCMQVVLUAVFINA-JGVFFNPUSA-N 0 3 269.301 1.349 10 5 CDBEHN C[C@H]1[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])CCN1C ZINC000928457093 619121332 /nfs/dbraw/zinc/12/13/32/619121332.db2.gz YUDLIZYKDAYNQF-ONGXEEELSA-N 0 3 263.297 1.417 10 5 CDBEHN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)C2CCN(C)CC2)n1 ZINC001628524451 1166079072 /nfs/dbraw/zinc/07/90/72/1166079072.db2.gz XNPYHWFYOVMTLF-UHFFFAOYSA-N 0 3 292.339 1.464 10 5 CDBEHN O=[N+]([O-])c1cccc(CN2C[C@H](CO)[C@H](CCO)C2)c1 ZINC001620677299 1172602501 /nfs/dbraw/zinc/60/25/01/1172602501.db2.gz NIZUOSDZQXMCOM-CHWSQXEVSA-N 0 3 280.324 1.018 10 5 CDBEHN Cc1oc(C2CC2)nc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813115080 1163818547 /nfs/dbraw/zinc/81/85/47/1163818547.db2.gz KCRJWIXOLKUXRP-ZCFIWIBFSA-N 0 3 254.242 1.682 10 5 CDBEHN CC(COC(=O)CN1C(=O)CCc2ccccc21)[N+](=O)[O-] ZINC000813109844 728391672 /nfs/dbraw/zinc/39/16/72/728391672.db2.gz WVSCFDPAVKMLFU-SNVBAGLBSA-N 0 3 292.291 1.174 10 5 CDBEHN CCOc1nc(C)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108813 728568591 /nfs/dbraw/zinc/56/85/91/728568591.db2.gz AUBDTNNTHGYKLH-SECBINFHSA-N 0 3 268.269 1.611 10 5 CDBEHN CC(COC(=O)CCC(=O)c1cccs1)[N+](=O)[O-] ZINC000813114762 729207028 /nfs/dbraw/zinc/20/70/28/729207028.db2.gz GJILJDVMHSOXKU-QMMMGPOBSA-N 0 3 271.294 1.919 10 5 CDBEHN [NH3+]CC[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000923480238 729305529 /nfs/dbraw/zinc/30/55/29/729305529.db2.gz GPQSZKWCDRSBGV-SNVBAGLBSA-N 0 3 265.313 1.471 10 5 CDBEHN CCN(C)[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813104422 729307060 /nfs/dbraw/zinc/30/70/60/729307060.db2.gz CHGIPQGISLOARY-WCQYABFASA-N 0 3 280.324 1.888 10 5 CDBEHN CC(COC(=O)c1ccnc(O[C@H]2CCOC2)c1)[N+](=O)[O-] ZINC000813103808 729861068 /nfs/dbraw/zinc/86/10/68/729861068.db2.gz UKXJOZUAUWIVAN-KOLCDFICSA-N 0 3 296.279 1.071 10 5 CDBEHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1C(C)(C)C ZINC000813103547 729976468 /nfs/dbraw/zinc/97/64/68/729976468.db2.gz QGKHCCXNEKDCEO-QMMMGPOBSA-N 0 3 269.301 1.769 10 5 CDBEHN Cc1cc(F)cc(C(=O)N2CC[C@@H](F)[C@H](N)C2)c1[N+](=O)[O-] ZINC000851648477 730026911 /nfs/dbraw/zinc/02/69/11/730026911.db2.gz IGQQXYVEAYECIC-GHMZBOCLSA-N 0 3 299.277 1.554 10 5 CDBEHN COC1(OC)CC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000925381746 730362967 /nfs/dbraw/zinc/36/29/67/730362967.db2.gz CMRAQIFGZJGZJR-CYBMUJFWSA-N 0 3 296.323 1.715 10 5 CDBEHN CN(C)[C@@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601035521 342460412 /nfs/dbraw/zinc/46/04/12/342460412.db2.gz JCFBZKQQYNICAO-SECBINFHSA-N 0 3 281.287 1.510 10 5 CDBEHN CN1CC[C@@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601185686 342489278 /nfs/dbraw/zinc/48/92/78/342489278.db2.gz YSSCFOKTVKXPQN-ZJUUUORDSA-N 0 3 280.303 1.517 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2CN(C)C[C@H]21 ZINC000590011962 342519848 /nfs/dbraw/zinc/51/98/48/342519848.db2.gz NRGFTQHEIBHQAK-SMDDNHRTSA-N 0 3 291.351 1.739 10 5 CDBEHN COCCN1CCC[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000609039377 342087843 /nfs/dbraw/zinc/08/78/43/342087843.db2.gz RNSBPJXCOLNSJU-NSHDSACASA-N 0 3 280.328 1.513 10 5 CDBEHN CS[C@H]1CN(c2ccncc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000340754282 295672235 /nfs/dbraw/zinc/67/22/35/295672235.db2.gz OJQAICCYYTTZPR-NEPJUHHUSA-N 0 3 282.369 1.472 10 5 CDBEHN CO[C@@](C)(CO)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000594510145 342912681 /nfs/dbraw/zinc/91/26/81/342912681.db2.gz HVFVFQLSGLAXDT-LSDHHAIUSA-N 0 3 294.351 1.959 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CCC[C@](O)(C3CC3)C2)n1 ZINC000595748656 343151513 /nfs/dbraw/zinc/15/15/13/343151513.db2.gz CAIYBPLPUHXVGU-CYBMUJFWSA-N 0 3 280.328 1.028 10 5 CDBEHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCC2COC2)c1 ZINC000599011195 343939384 /nfs/dbraw/zinc/93/93/84/343939384.db2.gz GWTRTKCCLACZJE-UHFFFAOYSA-N 0 3 288.250 1.932 10 5 CDBEHN Cc1cc(NC(=O)CNC2CC2)c([N+](=O)[O-])cc1C ZINC000047948555 357168116 /nfs/dbraw/zinc/16/81/16/357168116.db2.gz JBJANFBDCRPFNW-UHFFFAOYSA-N 0 3 263.297 1.902 10 5 CDBEHN O=[N+]([O-])c1cccc(CNC[C@H](CO)c2cccnc2)c1 ZINC000342300369 358992527 /nfs/dbraw/zinc/99/25/27/358992527.db2.gz SZMCYSCSMVVRSH-CQSZACIVSA-N 0 3 287.319 1.856 10 5 CDBEHN Cc1n[nH]c(C(=O)NCCN2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000299514349 375051505 /nfs/dbraw/zinc/05/15/05/375051505.db2.gz HGOZQUDKPPZOGG-VIFPVBQESA-N 0 3 295.343 1.231 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)N(C)C ZINC000299681843 375193400 /nfs/dbraw/zinc/19/34/00/375193400.db2.gz WKVZWRINBRTXDL-SNVBAGLBSA-N 0 3 265.313 1.583 10 5 CDBEHN O=[N+]([O-])c1cc(F)cc(OC[C@@H]2CNCCO2)c1 ZINC000164111709 375822143 /nfs/dbraw/zinc/82/21/43/375822143.db2.gz HWQCFMRQAFSTHV-NSHDSACASA-N 0 3 256.233 1.101 10 5 CDBEHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN2CC)n1 ZINC000191759430 378135438 /nfs/dbraw/zinc/13/54/38/378135438.db2.gz DSAYWGWBJPRUPZ-JTQLQIEISA-N 0 3 295.343 1.025 10 5 CDBEHN CC(C)N1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000069848926 378916813 /nfs/dbraw/zinc/91/68/13/378916813.db2.gz RHQXEAFLBZAHHL-ZDUSSCGKSA-N 0 3 291.351 1.736 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@]2(CNC(=O)C2)C1 ZINC000279164261 194312492 /nfs/dbraw/zinc/31/24/92/194312492.db2.gz AYFHIHZPSRGCDT-HNNXBMFYSA-N 0 3 289.335 1.615 10 5 CDBEHN Cc1sc(C(=O)NC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000048609073 390450448 /nfs/dbraw/zinc/45/04/48/390450448.db2.gz JVRJTBIEPFPJCQ-UHFFFAOYSA-N 0 3 283.353 1.789 10 5 CDBEHN COC[C@](C)(O)CCNCc1csc([N+](=O)[O-])c1 ZINC000449383563 391220396 /nfs/dbraw/zinc/22/03/96/391220396.db2.gz IHYVLBUHYJEEMA-LLVKDONJSA-N 0 3 274.342 1.533 10 5 CDBEHN CNC(=O)[C@@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000421394218 392934653 /nfs/dbraw/zinc/93/46/53/392934653.db2.gz XKQRMMHCFDWZKY-GFCCVEGCSA-N 0 3 277.324 1.471 10 5 CDBEHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532138821 393067257 /nfs/dbraw/zinc/06/72/57/393067257.db2.gz IQJYPGVGQRFZBD-GWCFXTLKSA-N 0 3 292.339 1.402 10 5 CDBEHN CO[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1C ZINC000251632459 140310210 /nfs/dbraw/zinc/31/02/10/140310210.db2.gz GXWNADMPSBLCJR-WCQYABFASA-N 0 3 295.339 1.113 10 5 CDBEHN CNc1ccc([N+](=O)[O-])cc1CN(CCO)C(C)C ZINC000050817934 522646089 /nfs/dbraw/zinc/64/60/89/522646089.db2.gz QEIJEFJOCFYVMF-UHFFFAOYSA-N 0 3 267.329 1.839 10 5 CDBEHN CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000347011941 153378532 /nfs/dbraw/zinc/37/85/32/153378532.db2.gz NJJQYDRLVNDICA-CQSZACIVSA-N 0 3 289.335 1.904 10 5 CDBEHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000352246964 155052755 /nfs/dbraw/zinc/05/27/55/155052755.db2.gz UUUFGDXANXLYDV-NXEZZACHSA-N 0 3 295.343 1.311 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN2C)c1 ZINC000359278172 158195270 /nfs/dbraw/zinc/19/52/70/158195270.db2.gz AVAOYFIASAHSHU-NSHDSACASA-N 0 3 277.324 1.727 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]3COCC[C@@H]32)c1 ZINC000362456908 159152610 /nfs/dbraw/zinc/15/26/10/159152610.db2.gz XOGFRFKIYVGDMA-AAEUAGOBSA-N 0 3 280.328 1.292 10 5 CDBEHN CCN1CCC[C@H]1CNC(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000037250698 173062789 /nfs/dbraw/zinc/06/27/89/173062789.db2.gz ZDMUKEMSPNDWKC-NSHDSACASA-N 0 3 295.314 1.948 10 5 CDBEHN CCN[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2OC)C1=O ZINC000071043004 176029067 /nfs/dbraw/zinc/02/90/67/176029067.db2.gz CJNAZZZNJHTUSC-NSHDSACASA-N 0 3 293.323 1.708 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000049096583 277081472 /nfs/dbraw/zinc/08/14/72/277081472.db2.gz MWFMIUHOKZMFDR-JTQLQIEISA-N 0 3 263.297 1.419 10 5 CDBEHN COC(=O)c1cc(N2CC(N(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000273188800 277423107 /nfs/dbraw/zinc/42/31/07/277423107.db2.gz CIDYADAQLRWYNB-UHFFFAOYSA-N 0 3 293.323 1.440 10 5 CDBEHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1ccccc1[N+](=O)[O-] ZINC000069772853 278380729 /nfs/dbraw/zinc/38/07/29/278380729.db2.gz VVTHBEQTLIRGBN-JQWIXIFHSA-N 0 3 277.324 1.681 10 5 CDBEHN C[C@@H]1CN[C@@H](C)CN1c1ccc([N+](=O)[O-])c2nonc21 ZINC000086471126 278844043 /nfs/dbraw/zinc/84/40/43/278844043.db2.gz VIVCGBZEPBRJFU-JGVFFNPUSA-N 0 3 277.284 1.318 10 5 CDBEHN CCOc1cc(OC[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000164070328 483024894 /nfs/dbraw/zinc/02/48/94/483024894.db2.gz ONUJKIJXVZQZLQ-LLVKDONJSA-N 0 3 282.296 1.361 10 5 CDBEHN CCCN[C@@H](COc1c(C)cc(C)cc1[N+](=O)[O-])C(N)=O ZINC000050442058 520010497 /nfs/dbraw/zinc/01/04/97/520010497.db2.gz SPWJBXRNMPNYDR-NSHDSACASA-N 0 3 295.339 1.444 10 5 CDBEHN CCNCc1nccn1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051004786 520022747 /nfs/dbraw/zinc/02/27/47/520022747.db2.gz PECRHEQFZOLJAO-UHFFFAOYSA-N 0 3 290.323 1.958 10 5 CDBEHN CCOC[C@@H](O)COc1ccc(CNC)cc1[N+](=O)[O-] ZINC000069274942 520106402 /nfs/dbraw/zinc/10/64/02/520106402.db2.gz FHLOPNPTJXPZIH-LLVKDONJSA-N 0 3 284.312 1.090 10 5 CDBEHN CCN[C@H](COc1ccc([N+](=O)[O-])c(Cl)c1)C(N)=O ZINC000050471869 520200440 /nfs/dbraw/zinc/20/04/40/520200440.db2.gz QBUKCSUWEHZRIL-SECBINFHSA-N 0 3 287.703 1.090 10 5 CDBEHN CCC(C)(C)NC(=O)COc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516272 521319959 /nfs/dbraw/zinc/31/99/59/521319959.db2.gz LYOHGUJHSQUVQM-UHFFFAOYSA-N 0 3 295.339 1.737 10 5 CDBEHN CNC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000061300332 521940098 /nfs/dbraw/zinc/94/00/98/521940098.db2.gz ZFMIRTNCXXGQMJ-UHFFFAOYSA-N 0 3 267.285 1.540 10 5 CDBEHN COc1cc(CN)c([N+](=O)[O-])cc1OCCOC(C)C ZINC000049259088 522362040 /nfs/dbraw/zinc/36/20/40/522362040.db2.gz ZFAWVFDKSZJJAT-UHFFFAOYSA-N 0 3 284.312 1.866 10 5 CDBEHN CN[C@](C)(C[C@@H](C)Oc1cc([N+](=O)[O-])ccc1C)C(N)=O ZINC000068651346 522520869 /nfs/dbraw/zinc/52/08/69/522520869.db2.gz PQBZXQLWOOFKBW-QMTHXVAHSA-N 0 3 295.339 1.524 10 5 CDBEHN CN[C@](COc1cccc([N+](=O)[O-])c1C)(C(N)=O)C1CC1 ZINC000069194315 522530819 /nfs/dbraw/zinc/53/08/19/522530819.db2.gz MTVMMNBEGKHXTN-AWEZNQCLSA-N 0 3 293.323 1.136 10 5 CDBEHN CCn1cc([N+](=O)[O-])cc1C(=O)N1[C@H](C)CNC[C@H]1C ZINC000069133110 523484504 /nfs/dbraw/zinc/48/45/04/523484504.db2.gz OUPQFKOJAQJDTJ-NXEZZACHSA-N 0 3 280.328 1.239 10 5 CDBEHN C[C@H](C[C@@](C)(N)C(N)=O)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000068651175 524632091 /nfs/dbraw/zinc/63/20/91/524632091.db2.gz OMXSFEWELLWJDH-JMCQJSRRSA-N 0 3 285.275 1.094 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1C(=O)N1[C@@H](C)CNC[C@@H]1C ZINC000069133296 524904393 /nfs/dbraw/zinc/90/43/93/524904393.db2.gz BJMVMCMODRAEAY-QWRGUYRKSA-N 0 3 277.324 1.726 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H](C)CNC[C@@H]1C ZINC000069132911 526070988 /nfs/dbraw/zinc/07/09/88/526070988.db2.gz BZOQLZZDLHEPTB-PHIMTYICSA-N 0 3 277.324 1.726 10 5 CDBEHN Cc1nc[nH]c1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000054797043 527213529 /nfs/dbraw/zinc/21/35/29/527213529.db2.gz VXEKRCQZAHCWRP-UHFFFAOYSA-N 0 3 260.297 1.959 10 5 CDBEHN NCc1ccc([N+](=O)[O-])c(O[C@H]2CCCC[C@@H]2O)c1 ZINC000050516333 527258531 /nfs/dbraw/zinc/25/85/31/527258531.db2.gz AODNCRDLSNYDGS-RYUDHWBXSA-N 0 3 266.297 1.736 10 5 CDBEHN NCc1ccc([N+](=O)[O-])c(O[C@H]2CCCCNC2=O)c1 ZINC000050516584 527258733 /nfs/dbraw/zinc/25/87/33/527258733.db2.gz XXXFFWMXWYIGNI-NSHDSACASA-N 0 3 279.296 1.101 10 5 CDBEHN CN(C)C[C@H]1CCCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000757506428 577041320 /nfs/dbraw/zinc/04/13/20/577041320.db2.gz PGPGTVKESJXZMP-LLVKDONJSA-N 0 3 289.339 1.773 10 5 CDBEHN CN(C)C(=O)[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001655709433 1171718756 /nfs/dbraw/zinc/71/87/56/1171718756.db2.gz SETLRMOGQGQALN-ZDUSSCGKSA-N 0 3 291.351 1.895 10 5 CDBEHN COc1ccc(CCC(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813107615 1163813487 /nfs/dbraw/zinc/81/34/87/1163813487.db2.gz PEQNEIVTGIWZKN-SNVBAGLBSA-N 0 3 297.307 1.845 10 5 CDBEHN CC(C)(CCC(=O)N1CCN2CCC1CC2)[N+](=O)[O-] ZINC000830156735 730758075 /nfs/dbraw/zinc/75/80/75/730758075.db2.gz XGLHUPPUXLOJDN-UHFFFAOYSA-N 0 3 269.345 1.129 10 5 CDBEHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1C(C)C ZINC000813102690 731099331 /nfs/dbraw/zinc/09/93/31/731099331.db2.gz IUPFJFMZDUPOMN-MRVPVSSYSA-N 0 3 255.274 1.594 10 5 CDBEHN CC(=O)c1cccc(O[C@H](C)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813107278 731962419 /nfs/dbraw/zinc/96/24/19/731962419.db2.gz OIILZBJININMGA-MWLCHTKSSA-N 0 3 295.291 1.865 10 5 CDBEHN C[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])[C@H](C)CO ZINC000167065906 732570022 /nfs/dbraw/zinc/57/00/22/732570022.db2.gz OJQNFYNAPNBCCJ-RKDXNWHRSA-N 0 3 256.277 1.840 10 5 CDBEHN Cc1ncc(C(=O)OCC(C)[N+](=O)[O-])c(C(C)C)n1 ZINC000813107943 732778332 /nfs/dbraw/zinc/77/83/32/732778332.db2.gz ZNKVALWANAGRIX-QMMMGPOBSA-N 0 3 267.285 1.730 10 5 CDBEHN CC(COC(=O)[C@H]1CCCN1c1nccs1)[N+](=O)[O-] ZINC000813112539 732806968 /nfs/dbraw/zinc/80/69/68/732806968.db2.gz HYTOPJFEZVHVKO-RKDXNWHRSA-N 0 3 285.325 1.320 10 5 CDBEHN Nc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCCC1 ZINC001539532576 967100102 /nfs/dbraw/zinc/10/01/02/967100102.db2.gz XGWQRBWGEKZKAT-UHFFFAOYSA-N 0 3 278.312 1.003 10 5 CDBEHN O=[N+]([O-])c1ccccc1N1CC(N[C@H]2CCOC2)C1 ZINC001472888388 968969940 /nfs/dbraw/zinc/96/99/40/968969940.db2.gz IMRWIOXZXIYEGC-JTQLQIEISA-N 0 3 263.297 1.162 10 5 CDBEHN CN1CC[C@@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000601170490 342485903 /nfs/dbraw/zinc/48/59/03/342485903.db2.gz BWQUZKKYNFJWSG-KCJUWKMLSA-N 0 3 266.276 1.269 10 5 CDBEHN Cc1ccc([C@@H](C)NCCc2cn(C)nn2)cc1[N+](=O)[O-] ZINC000592393216 342690572 /nfs/dbraw/zinc/69/05/72/342690572.db2.gz WFXKNUHOFRATLA-LLVKDONJSA-N 0 3 289.339 1.925 10 5 CDBEHN NC(=O)[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000593669727 342820714 /nfs/dbraw/zinc/82/07/14/342820714.db2.gz CJDUALBUNZOXBN-DTORHVGOSA-N 0 3 283.715 1.602 10 5 CDBEHN CN(C)C(=O)CCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000593968977 342858545 /nfs/dbraw/zinc/85/85/45/342858545.db2.gz UMHDAYSLUUPBCV-UHFFFAOYSA-N 0 3 291.351 1.821 10 5 CDBEHN CN1CCC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000048768617 342271805 /nfs/dbraw/zinc/27/18/05/342271805.db2.gz AAPGCBNACJJICO-LLVKDONJSA-N 0 3 278.312 1.811 10 5 CDBEHN O=[N+]([O-])c1ccc(-n2cc(CNC3CCCC3)nn2)nc1 ZINC000594650541 342932614 /nfs/dbraw/zinc/93/26/14/342932614.db2.gz XNMZMSUKTPBUGN-UHFFFAOYSA-N 0 3 288.311 1.603 10 5 CDBEHN COC[C@@H](CCNCc1cccc([N+](=O)[O-])c1)OC ZINC000594953424 342982566 /nfs/dbraw/zinc/98/25/66/342982566.db2.gz SNXLHECOIZVTLC-CYBMUJFWSA-N 0 3 268.313 1.736 10 5 CDBEHN CCOC(=O)COCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000351577099 362573371 /nfs/dbraw/zinc/57/33/71/362573371.db2.gz ZETFAWHFCSFMQG-LLVKDONJSA-N 0 3 296.323 1.825 10 5 CDBEHN CC1(C)COC[C@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000451805839 359082461 /nfs/dbraw/zinc/08/24/61/359082461.db2.gz BYSDULCPMXTSLI-CYBMUJFWSA-N 0 3 280.324 1.988 10 5 CDBEHN Cc1nc(Nc2cnn(CCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000301647803 201114544 /nfs/dbraw/zinc/11/45/44/201114544.db2.gz OPDMQWIKXXSNFT-UHFFFAOYSA-N 0 3 290.327 1.800 10 5 CDBEHN CC(C)(N)c1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000070118393 361605048 /nfs/dbraw/zinc/60/50/48/361605048.db2.gz JKHXCHJXIAQBAK-UHFFFAOYSA-N 0 3 261.285 1.428 10 5 CDBEHN C[C@H](NC[C@@H](O)Cn1cccn1)c1ccccc1[N+](=O)[O-] ZINC000271758687 367028719 /nfs/dbraw/zinc/02/87/19/367028719.db2.gz OLTTZEDLTFRXNR-NWDGAFQWSA-N 0 3 290.323 1.503 10 5 CDBEHN CN(CCCCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000276353799 193296779 /nfs/dbraw/zinc/29/67/79/193296779.db2.gz JCLDDPFXMGJSKC-CYBMUJFWSA-N 0 3 268.313 1.333 10 5 CDBEHN C[C@@H]1CCCCN1CCNc1c([N+](=O)[O-])ncn1C ZINC000298682546 373764459 /nfs/dbraw/zinc/76/44/59/373764459.db2.gz AUQZJGSUMSCJPH-SNVBAGLBSA-N 0 3 267.333 1.615 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(OC[C@@H]2CNCCO2)c1 ZINC000080745179 374478467 /nfs/dbraw/zinc/47/84/67/374478467.db2.gz SAEYQNNQQVVJJH-JTQLQIEISA-N 0 3 252.270 1.270 10 5 CDBEHN O=[N+]([O-])c1ccc2nc([S@](=O)C[C@@H]3CCC[NH2+]3)[n-]c2c1 ZINC000095092121 374869498 /nfs/dbraw/zinc/86/94/98/374869498.db2.gz ANOGWSIGOQUXCL-FHZGZLOMSA-N 0 3 294.336 1.331 10 5 CDBEHN O=[N+]([O-])c1ccc2[n-]c([S@](=O)C[C@@H]3CCC[NH2+]3)nc2c1 ZINC000095092121 374869503 /nfs/dbraw/zinc/86/95/03/374869503.db2.gz ANOGWSIGOQUXCL-FHZGZLOMSA-N 0 3 294.336 1.331 10 5 CDBEHN C[C@@H](O)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293954539 375518509 /nfs/dbraw/zinc/51/85/09/375518509.db2.gz ZNXGOYDPHIWFLT-RKDXNWHRSA-N 0 3 253.302 1.599 10 5 CDBEHN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1n[n-]cc1[N+](=O)[O-] ZINC000245930745 379364219 /nfs/dbraw/zinc/36/42/19/379364219.db2.gz YJOWLRGVZYKISV-ZJUUUORDSA-N 0 3 293.327 1.017 10 5 CDBEHN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1n[n-]cc1[N+](=O)[O-] ZINC000245930745 379364223 /nfs/dbraw/zinc/36/42/23/379364223.db2.gz YJOWLRGVZYKISV-ZJUUUORDSA-N 0 3 293.327 1.017 10 5 CDBEHN CNC(=O)[C@H](NCCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000183635091 413034860 /nfs/dbraw/zinc/03/48/60/413034860.db2.gz FBAOBCFZYLWTJJ-CYBMUJFWSA-N 0 3 295.339 1.334 10 5 CDBEHN COc1cc(CN2CC[C@@H]([C@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000305835686 390884093 /nfs/dbraw/zinc/88/40/93/390884093.db2.gz FSIJNHDMAONUMZ-CMPLNLGQSA-N 0 3 280.324 1.806 10 5 CDBEHN O=[N+]([O-])c1cc(CN[C@@H]2CNCCC2(F)F)cs1 ZINC000415007139 391239976 /nfs/dbraw/zinc/23/99/76/391239976.db2.gz UPSVLBCKBVUCFV-MRVPVSSYSA-N 0 3 277.296 1.743 10 5 CDBEHN CC(C)[C@@](C)(CO)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352895412 393230669 /nfs/dbraw/zinc/23/06/69/393230669.db2.gz VGGAWWBPMIHFBO-CQSZACIVSA-N 0 3 292.339 1.968 10 5 CDBEHN Cc1ccc(C(=O)N2CCN3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000195310572 140152234 /nfs/dbraw/zinc/15/22/34/140152234.db2.gz ZAYPUNDXARTBGA-ZDUSSCGKSA-N 0 3 289.335 1.823 10 5 CDBEHN COc1c(C(=O)NC[C@@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000356101889 157354937 /nfs/dbraw/zinc/35/49/37/157354937.db2.gz VHIBPTGZJXNFLI-JTQLQIEISA-N 0 3 293.323 1.427 10 5 CDBEHN CC(=O)NCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177136 173010594 /nfs/dbraw/zinc/01/05/94/173010594.db2.gz KAXJCHNAIJUEGC-SECBINFHSA-N 0 3 251.286 1.382 10 5 CDBEHN Cn1cnc(CCNCc2ccccc2[N+](=O)[O-])c1 ZINC000313279196 270324605 /nfs/dbraw/zinc/32/46/05/270324605.db2.gz CAPQBKVKPOFTPY-UHFFFAOYSA-N 0 3 260.297 1.661 10 5 CDBEHN C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1 ZINC000094771564 278812314 /nfs/dbraw/zinc/81/23/14/278812314.db2.gz HVTXXFLIJHUYRE-MRVPVSSYSA-N 0 3 261.285 1.269 10 5 CDBEHN C[C@@H](O)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566474835 316607956 /nfs/dbraw/zinc/60/79/56/316607956.db2.gz JAKLJMBYDKMISC-SKDRFNHKSA-N 0 3 250.298 1.943 10 5 CDBEHN CC(C)[C@H](CN(C)C)Nc1ncc([N+](=O)[O-])cn1 ZINC000049218332 519814993 /nfs/dbraw/zinc/81/49/93/519814993.db2.gz PBZFCFOKERIGHF-JTQLQIEISA-N 0 3 253.306 1.383 10 5 CDBEHN CC(C)CCNC(=O)COc1ccc(CN)cc1[N+](=O)[O-] ZINC000049283688 519656311 /nfs/dbraw/zinc/65/63/11/519656311.db2.gz ROMVGDILZRCQFD-UHFFFAOYSA-N 0 3 295.339 1.595 10 5 CDBEHN CN1CCC[C@H](CNC(=O)c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000050708069 523840608 /nfs/dbraw/zinc/84/06/08/523840608.db2.gz HJOLNGHYQXDZCR-SNVBAGLBSA-N 0 3 292.339 1.249 10 5 CDBEHN CNC(=O)[C@@H](C)Oc1cc(CNC(C)C)ccc1[N+](=O)[O-] ZINC000050517187 524080821 /nfs/dbraw/zinc/08/08/21/524080821.db2.gz FPSGGKOIVNTETD-SNVBAGLBSA-N 0 3 295.339 1.606 10 5 CDBEHN C[C@@H](CNc1ncnc(Cl)c1[N+](=O)[O-])N(C)C ZINC000050455878 524761889 /nfs/dbraw/zinc/76/18/89/524761889.db2.gz RNXQKMWDCVXWRA-LURJTMIESA-N 0 3 259.697 1.400 10 5 CDBEHN Cc1cccc(O[C@@H](C)C[C@@](C)(N)C(N)=O)c1[N+](=O)[O-] ZINC000068651387 524775993 /nfs/dbraw/zinc/77/59/93/524775993.db2.gz FAWKBGBXLSYDLB-TVQRCGJNSA-N 0 3 281.312 1.263 10 5 CDBEHN N=C(N)c1cc(COc2ccc([N+](=O)[O-])cc2F)ccn1 ZINC000068762638 526819646 /nfs/dbraw/zinc/81/96/46/526819646.db2.gz HMYDFQGJTZITMK-UHFFFAOYSA-N 0 3 290.254 1.992 10 5 CDBEHN CCOC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])nc1C ZINC000813103988 617342607 /nfs/dbraw/zinc/34/26/07/617342607.db2.gz VSAVLODHWOYXLK-MRVPVSSYSA-N 0 3 296.279 1.389 10 5 CDBEHN COC(=O)[C@@H]1CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813109997 617345765 /nfs/dbraw/zinc/34/57/65/617345765.db2.gz YIDPCJKAXRZHAM-AEJSXWLSSA-N 0 3 273.285 1.174 10 5 CDBEHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928434649 619075804 /nfs/dbraw/zinc/07/58/04/619075804.db2.gz WSPCWKLNYBOBTO-ONGXEEELSA-N 0 3 295.314 1.865 10 5 CDBEHN C[C@@H]1[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000902925956 625639927 /nfs/dbraw/zinc/63/99/27/625639927.db2.gz QSJQJSWOIBRFGN-SKDRFNHKSA-N 0 3 278.312 1.809 10 5 CDBEHN CC(COC(=O)c1cc(Br)cn1C)[N+](=O)[O-] ZINC000813111898 735225022 /nfs/dbraw/zinc/22/50/22/735225022.db2.gz BESJTAQPBZTZJA-LURJTMIESA-N 0 3 291.101 1.610 10 5 CDBEHN CC(COC(=O)[C@H]1CCCN1CC(F)(F)F)[N+](=O)[O-] ZINC000813107545 735394735 /nfs/dbraw/zinc/39/47/35/735394735.db2.gz SPBVTHYGDZRNQA-HTQZYQBOSA-N 0 3 284.234 1.222 10 5 CDBEHN CC(COC(=O)C(C)(C)c1cccnc1)[N+](=O)[O-] ZINC000813115115 733698361 /nfs/dbraw/zinc/69/83/61/733698361.db2.gz KTNYYLIKSJPYSV-SECBINFHSA-N 0 3 252.270 1.568 10 5 CDBEHN COc1ccc(C(=O)CCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813109433 733854461 /nfs/dbraw/zinc/85/44/61/733854461.db2.gz SFQIKRVKAXIADU-JTQLQIEISA-N 0 3 295.291 1.867 10 5 CDBEHN Cc1nn(C(C)(C)C)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813115647 734060676 /nfs/dbraw/zinc/06/06/76/734060676.db2.gz WYEWFYLPHRIKRB-MRVPVSSYSA-N 0 3 269.301 1.769 10 5 CDBEHN CC(COC(=O)C[C@@H](C)NC(=O)C1CCCC1)[N+](=O)[O-] ZINC000813113021 734167095 /nfs/dbraw/zinc/16/70/95/734167095.db2.gz WLHWTAZYAFRNCW-NXEZZACHSA-N 0 3 286.328 1.280 10 5 CDBEHN CC(COC(=O)c1ncc2cc(Cl)ccn21)[N+](=O)[O-] ZINC000847714522 734168005 /nfs/dbraw/zinc/16/80/05/734168005.db2.gz WNDMETXZFRDNIY-ZETCQYMHSA-N 0 3 283.671 1.810 10 5 CDBEHN CC(COC(=O)c1cccc(C2OCCO2)c1)[N+](=O)[O-] ZINC000813115276 734287476 /nfs/dbraw/zinc/28/74/76/734287476.db2.gz OEICPQGZZSGGNU-SECBINFHSA-N 0 3 281.264 1.554 10 5 CDBEHN CC(C)c1ncncc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103929 734314021 /nfs/dbraw/zinc/31/40/21/734314021.db2.gz INVGSAHGCXZLJI-MRVPVSSYSA-N 0 3 253.258 1.422 10 5 CDBEHN COc1cccc(OCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813108385 734463828 /nfs/dbraw/zinc/46/38/28/734463828.db2.gz FPIIGDFIKUEXCK-SECBINFHSA-N 0 3 269.253 1.282 10 5 CDBEHN C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1O ZINC000852502176 734640669 /nfs/dbraw/zinc/64/06/69/734640669.db2.gz BISVHJXJABBYNG-GYSYKLTISA-N 0 3 294.351 1.577 10 5 CDBEHN CC(COC(=O)c1cccc([S@@](C)=O)c1)[N+](=O)[O-] ZINC000813113834 734813454 /nfs/dbraw/zinc/81/34/54/734813454.db2.gz JUDVJRGHCNDFES-NTCNTBNZSA-N 0 3 271.294 1.246 10 5 CDBEHN CC(COC(=O)c1cccc2c1OCCO2)[N+](=O)[O-] ZINC000813108419 735053894 /nfs/dbraw/zinc/05/38/94/735053894.db2.gz YJEPWQHVVFIMFC-QMMMGPOBSA-N 0 3 267.237 1.280 10 5 CDBEHN CC(COC(=O)c1cccc(OCC(F)F)n1)[N+](=O)[O-] ZINC000813112763 735178735 /nfs/dbraw/zinc/17/87/35/735178735.db2.gz KMWIVQJVYWSJAB-ZETCQYMHSA-N 0 3 290.222 1.548 10 5 CDBEHN O=[N+]([O-])c1cncc(Cl)c1N1CC(N[C@H]2CCOC2)C1 ZINC001612979383 1165527422 /nfs/dbraw/zinc/52/74/22/1165527422.db2.gz YUFHQVSBPVNFBL-QMMMGPOBSA-N 0 3 298.730 1.210 10 5 CDBEHN O=C1OCC[C@]12CCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC001620684018 1165665766 /nfs/dbraw/zinc/66/57/66/1165665766.db2.gz YVVSHXYIPOZUHR-AWEZNQCLSA-N 0 3 276.292 1.734 10 5 CDBEHN O=[N+]([O-])c1cc(F)cnc1NCCN1CCCC1 ZINC000401249097 342484043 /nfs/dbraw/zinc/48/40/43/342484043.db2.gz BSIPDJJNUYXVMS-UHFFFAOYSA-N 0 3 254.265 1.637 10 5 CDBEHN CN1C[C@H]2CCN(CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590010315 342519277 /nfs/dbraw/zinc/51/92/77/342519277.db2.gz AZWOJARFCYPXJR-TZMCWYRMSA-N 0 3 291.351 1.610 10 5 CDBEHN CN1C[C@H]2CCN(Cc3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590010979 342519377 /nfs/dbraw/zinc/51/93/77/342519377.db2.gz DKDUUCLLYKSXHJ-GHMZBOCLSA-N 0 3 267.354 1.792 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000590444962 342546633 /nfs/dbraw/zinc/54/66/33/342546633.db2.gz OMLKSOBDZMXQOF-YPMHNXCESA-N 0 3 275.308 1.371 10 5 CDBEHN CN(C)C1(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000591370634 342629885 /nfs/dbraw/zinc/62/98/85/342629885.db2.gz NSXCAKKVSDWSCU-UHFFFAOYSA-N 0 3 280.328 1.175 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNCC[C@]1(O)CCOC1 ZINC000593669840 342820832 /nfs/dbraw/zinc/82/08/32/342820832.db2.gz BJGIWPCUIWANCK-AWEZNQCLSA-N 0 3 280.324 1.534 10 5 CDBEHN Cc1c(NC(=O)N2CC[C@@H](F)[C@H](N)C2)cccc1[N+](=O)[O-] ZINC000595230662 343009650 /nfs/dbraw/zinc/00/96/50/343009650.db2.gz RGDHZPHBDUATHR-NXEZZACHSA-N 0 3 296.302 1.806 10 5 CDBEHN CCN1CCN(CCCNc2ccncc2[N+](=O)[O-])CC1 ZINC000066808751 342436083 /nfs/dbraw/zinc/43/60/83/342436083.db2.gz WYZXADXFINRKRP-UHFFFAOYSA-N 0 3 293.371 1.429 10 5 CDBEHN CN1CCN(CCCNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000344411258 362754105 /nfs/dbraw/zinc/75/41/05/362754105.db2.gz BYDGLOCAKVBKJP-UHFFFAOYSA-N 0 3 279.344 1.039 10 5 CDBEHN CN1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000612611354 347221656 /nfs/dbraw/zinc/22/16/56/347221656.db2.gz TUYKVFFCXMLRJO-SECBINFHSA-N 0 3 296.302 1.950 10 5 CDBEHN CCN1CCC[C@@H]1CN(C)c1ncc([N+](=O)[O-])s1 ZINC000192474895 358206547 /nfs/dbraw/zinc/20/65/47/358206547.db2.gz FRFZBOLQAHOBPM-SECBINFHSA-N 0 3 270.358 1.972 10 5 CDBEHN CC1(C)COC[C@@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000451814287 359081819 /nfs/dbraw/zinc/08/18/19/359081819.db2.gz WYDKWRCIQHVLBX-ZDUSSCGKSA-N 0 3 280.324 1.988 10 5 CDBEHN CN(C)[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000170858444 369950208 /nfs/dbraw/zinc/95/02/08/369950208.db2.gz POYQQICVJXUOCD-SNVBAGLBSA-N 0 3 263.297 1.371 10 5 CDBEHN CN1CC[C@H](CNCc2ccccc2[N+](=O)[O-])CC1=O ZINC000424182760 246373892 /nfs/dbraw/zinc/37/38/92/246373892.db2.gz ACHIHFYQXJXZLW-NSHDSACASA-N 0 3 277.324 1.553 10 5 CDBEHN CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000389166361 374701437 /nfs/dbraw/zinc/70/14/37/374701437.db2.gz MOYJXJTXWUZEIH-SNVBAGLBSA-N 0 3 250.302 1.804 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN1CC[C@@H](CCO)C1 ZINC000227573173 375568274 /nfs/dbraw/zinc/56/82/74/375568274.db2.gz NYHPCKUURVNSFB-NSHDSACASA-N 0 3 250.298 1.799 10 5 CDBEHN CCN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000345075162 375751436 /nfs/dbraw/zinc/75/14/36/375751436.db2.gz VOAUGUXLYRUCSV-VIFPVBQESA-N 0 3 266.301 1.137 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@]1(CCO)CCOC1 ZINC000278531891 194029600 /nfs/dbraw/zinc/02/96/00/194029600.db2.gz VHJVXDFRMDTWLY-CQSZACIVSA-N 0 3 280.324 1.534 10 5 CDBEHN CCN1CCC[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000180423664 390674254 /nfs/dbraw/zinc/67/42/54/390674254.db2.gz LPMRCHCXMNVTCD-SNVBAGLBSA-N 0 3 290.327 1.534 10 5 CDBEHN CC(C)N1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000273580481 392744386 /nfs/dbraw/zinc/74/43/86/392744386.db2.gz FRXWZZQJIFTASJ-SECBINFHSA-N 0 3 251.290 1.279 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CC[C@H](C)C1 ZINC000524721441 392919387 /nfs/dbraw/zinc/91/93/87/392919387.db2.gz IJGMXKUXUPFGBM-NSHDSACASA-N 0 3 291.351 1.975 10 5 CDBEHN CN(C[C@H]1CCCN1C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000566081970 397893072 /nfs/dbraw/zinc/89/30/72/397893072.db2.gz LLIGMWKKTVGNHF-LLVKDONJSA-N 0 3 278.312 1.156 10 5 CDBEHN C[C@@H](NC[C@H]1COCCO1)c1ccccc1[N+](=O)[O-] ZINC000038060113 174070214 /nfs/dbraw/zinc/07/02/14/174070214.db2.gz OUKHBKHPSLAGGG-MNOVXSKESA-N 0 3 266.297 1.661 10 5 CDBEHN Cn1ccnc1CCNCc1ccccc1[N+](=O)[O-] ZINC000040638904 174363399 /nfs/dbraw/zinc/36/33/99/174363399.db2.gz VIKKCIOKZDSEJW-UHFFFAOYSA-N 0 3 260.297 1.661 10 5 CDBEHN CCCN[C@@H]1CCN(c2cc([N+](=O)[O-])ccc2F)C1=O ZINC000071040017 176027405 /nfs/dbraw/zinc/02/74/05/176027405.db2.gz OWTUFLACMWPINM-LLVKDONJSA-N 0 3 281.287 1.839 10 5 CDBEHN CCn1nncc1CNCCc1ccccc1[N+](=O)[O-] ZINC000417942080 227248277 /nfs/dbraw/zinc/24/82/77/227248277.db2.gz NDRQWYAOMQMACV-UHFFFAOYSA-N 0 3 275.312 1.539 10 5 CDBEHN COC[C@](C)(CCO)NCCOc1ccccc1[N+](=O)[O-] ZINC000085904266 277607957 /nfs/dbraw/zinc/60/79/57/277607957.db2.gz MBRDKKRDABXAKF-AWEZNQCLSA-N 0 3 298.339 1.351 10 5 CDBEHN C[C@@H](N[C@H]1CCC(=O)N(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000084063334 278380884 /nfs/dbraw/zinc/38/08/84/278380884.db2.gz RBDXIBJWSYZWFC-PWSUYJOCSA-N 0 3 277.324 1.866 10 5 CDBEHN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1n[n-]cc1[N+](=O)[O-] ZINC000132813030 288311184 /nfs/dbraw/zinc/31/11/84/288311184.db2.gz YJOWLRGVZYKISV-VHSXEESVSA-N 0 3 293.327 1.017 10 5 CDBEHN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1n[n-]cc1[N+](=O)[O-] ZINC000132813030 288311186 /nfs/dbraw/zinc/31/11/86/288311186.db2.gz YJOWLRGVZYKISV-VHSXEESVSA-N 0 3 293.327 1.017 10 5 CDBEHN Cc1ccnc(N2CC[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000115516848 281461252 /nfs/dbraw/zinc/46/12/52/281461252.db2.gz RBPXQQLWMOSBLA-SNVBAGLBSA-N 0 3 250.302 1.439 10 5 CDBEHN COCC[C@H](N)C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000052792523 521946558 /nfs/dbraw/zinc/94/65/58/521946558.db2.gz IGYMTKIXSYLURK-QMMMGPOBSA-N 0 3 289.238 1.175 10 5 CDBEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000247282002 519695574 /nfs/dbraw/zinc/69/55/74/519695574.db2.gz KIYHMXWVJWABMC-VHSXEESVSA-N 0 3 281.312 1.646 10 5 CDBEHN CCCCNC(=O)COc1ccc([N+](=O)[O-])cc1CN ZINC000049279892 520625214 /nfs/dbraw/zinc/62/52/14/520625214.db2.gz QCFUZZZQIDYIQN-UHFFFAOYSA-N 0 3 281.312 1.349 10 5 CDBEHN CN(C)C[C@H]1CCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000061656012 521863726 /nfs/dbraw/zinc/86/37/26/521863726.db2.gz UMXRBCCUFHLDFI-LLVKDONJSA-N 0 3 292.339 1.343 10 5 CDBEHN CN[C@@](C)(C[C@@H](C)Oc1cc(F)ccc1[N+](=O)[O-])C(N)=O ZINC000068651180 522416640 /nfs/dbraw/zinc/41/66/40/522416640.db2.gz BHBDAZQCPRDZHD-OQPBUACISA-N 0 3 299.302 1.355 10 5 CDBEHN CN[C@@](COc1cc(C)ccc1[N+](=O)[O-])(C(N)=O)C1CC1 ZINC000069194227 522427412 /nfs/dbraw/zinc/42/74/12/522427412.db2.gz ZQVJXFJLHXFOFB-CQSZACIVSA-N 0 3 293.323 1.136 10 5 CDBEHN CN[C@](C)(C[C@@H](C)Oc1cc(C)ccc1[N+](=O)[O-])C(N)=O ZINC000068651076 522520325 /nfs/dbraw/zinc/52/03/25/522520325.db2.gz DSGAHJQJWIQMDC-QMTHXVAHSA-N 0 3 295.339 1.524 10 5 CDBEHN CC[C@H](O)COc1ccc(CNCCOC)cc1[N+](=O)[O-] ZINC000062730729 522822493 /nfs/dbraw/zinc/82/24/93/522822493.db2.gz IDIQONUANUXNAH-LBPRGKRZSA-N 0 3 298.339 1.481 10 5 CDBEHN Cc1cc(C)c(OC[C@@H](NC(C)C)C(N)=O)c([N+](=O)[O-])c1 ZINC000050442061 524311690 /nfs/dbraw/zinc/31/16/90/524311690.db2.gz WFFPHKCXJCUUPI-LLVKDONJSA-N 0 3 295.339 1.442 10 5 CDBEHN C[C@@H]1CNC[C@@H](C)N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000069132966 525094899 /nfs/dbraw/zinc/09/48/99/525094899.db2.gz FNWAULLJYMXIIT-GHMZBOCLSA-N 0 3 277.324 1.346 10 5 CDBEHN Cc1cc(NC(=O)CN2CCNCC2)c([N+](=O)[O-])cc1C ZINC000050439852 525141715 /nfs/dbraw/zinc/14/17/15/525141715.db2.gz OYUAUDUJARIPNM-UHFFFAOYSA-N 0 3 292.339 1.055 10 5 CDBEHN Cc1c(O[C@@H](C)C[C@@](C)(N)C(N)=O)cccc1[N+](=O)[O-] ZINC000068651266 525883705 /nfs/dbraw/zinc/88/37/05/525883705.db2.gz RPFDPIMMWFKUMU-ISVAXAHUSA-N 0 3 281.312 1.263 10 5 CDBEHN O=[N+]([O-])c1ccccc1CCN1CCCC[C@@H]1CO ZINC000062727278 527397568 /nfs/dbraw/zinc/39/75/68/527397568.db2.gz SUUCPVFABKHEIB-CYBMUJFWSA-N 0 3 264.325 1.984 10 5 CDBEHN O=[N+]([O-])c1ccc(F)cc1CN[C@H](CCO)C1CC1 ZINC000771804371 575702938 /nfs/dbraw/zinc/70/29/38/575702938.db2.gz RVUDYLIDXQDZLA-GFCCVEGCSA-N 0 3 268.288 1.985 10 5 CDBEHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cncs1 ZINC000773076953 575780530 /nfs/dbraw/zinc/78/05/30/575780530.db2.gz BAYOOOWWOSYPFF-MRVPVSSYSA-N 0 3 267.314 1.599 10 5 CDBEHN CC(C)C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001713573213 1178658329 /nfs/dbraw/zinc/65/83/29/1178658329.db2.gz JVSKPBZHPISHDL-UHFFFAOYSA-N 0 3 279.340 1.799 10 5 CDBEHN CNC(=O)c1cccc(CCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813103854 738460943 /nfs/dbraw/zinc/46/09/43/738460943.db2.gz HEVMBUTVTJXMNF-SNVBAGLBSA-N 0 3 294.307 1.187 10 5 CDBEHN CCO[C@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813115665 736851488 /nfs/dbraw/zinc/85/14/88/736851488.db2.gz XHTDFNPWLYTTIN-PWSUYJOCSA-N 0 3 267.281 1.973 10 5 CDBEHN CC(COC(=O)c1cnn(C)c1C(F)(F)F)[N+](=O)[O-] ZINC000813108960 736949124 /nfs/dbraw/zinc/94/91/24/736949124.db2.gz CWBHWKFGUXXYOO-RXMQYKEDSA-N 0 3 281.190 1.261 10 5 CDBEHN CC(COC(=O)[C@H]1CCC(=O)c2ccccc21)[N+](=O)[O-] ZINC000813105604 738584773 /nfs/dbraw/zinc/58/47/73/738584773.db2.gz PYMBAKWRXZFVTE-CABZTGNLSA-N 0 3 277.276 1.955 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@H]2C[C@@]2(O)C1 ZINC000895645914 738784901 /nfs/dbraw/zinc/78/49/01/738784901.db2.gz TUBQKIIGOKKQPV-BXUZGUMPSA-N 0 3 262.309 1.778 10 5 CDBEHN CC(COC(=O)CCc1ccc2c(c1)OCCO2)[N+](=O)[O-] ZINC000813114822 738894495 /nfs/dbraw/zinc/89/44/95/738894495.db2.gz HIPZVOCLWDAKBJ-JTQLQIEISA-N 0 3 295.291 1.599 10 5 CDBEHN CNC(=O)[C@@H]1CCC[C@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000787994228 736443709 /nfs/dbraw/zinc/44/37/09/736443709.db2.gz DFSPGNULPMYRCZ-VXGBXAGGSA-N 0 3 295.314 1.738 10 5 CDBEHN O=[N+]([O-])c1ccc(NC[C@H]2CN3CCC[C@@H]3CO2)cn1 ZINC000079617818 736974233 /nfs/dbraw/zinc/97/42/33/736974233.db2.gz VKWUMSISFIHJLK-NEPJUHHUSA-N 0 3 278.312 1.265 10 5 CDBEHN CC(COC(=O)Cc1cnn(-c2ccccc2)c1)[N+](=O)[O-] ZINC000813110079 739061464 /nfs/dbraw/zinc/06/14/64/739061464.db2.gz RXBOOUSJTPCZNA-LLVKDONJSA-N 0 3 289.291 1.623 10 5 CDBEHN C/C(=C\c1cccnc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000847713740 899687652 /nfs/dbraw/zinc/68/76/52/899687652.db2.gz AGCFEZDLTSPXLV-OLKPEBQYSA-N 0 3 250.254 1.693 10 5 CDBEHN Cc1cc(N(C)CCN(C)CCO)c(F)cc1[N+](=O)[O-] ZINC000691372291 922658910 /nfs/dbraw/zinc/65/89/10/922658910.db2.gz PIPJJPXRQUKGRS-UHFFFAOYSA-N 0 3 285.319 1.403 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCCC[C@H]2[C@H]2CCCO2)c1 ZINC001198686030 925500067 /nfs/dbraw/zinc/50/00/67/925500067.db2.gz PZTVAGWEAWOIQO-UONOGXRCSA-N 0 3 294.355 1.825 10 5 CDBEHN O=[N+]([O-])CCN[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC001333175882 958128328 /nfs/dbraw/zinc/12/83/28/958128328.db2.gz TZSWPJRXARKZNR-STQMWFEESA-N 0 3 250.298 1.631 10 5 CDBEHN C[C@H]1CCCN1CCNc1nn(C)cc1[N+](=O)[O-] ZINC001559123078 965403470 /nfs/dbraw/zinc/40/34/70/965403470.db2.gz YCXKCJYVJYYSDI-VIFPVBQESA-N 0 3 253.306 1.225 10 5 CDBEHN CN1C[C@H]2CCN(CCOc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000590010314 342519113 /nfs/dbraw/zinc/51/91/13/342519113.db2.gz AZWOJARFCYPXJR-OCCSQVGLSA-N 0 3 291.351 1.610 10 5 CDBEHN Cc1cc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000590044716 342520591 /nfs/dbraw/zinc/52/05/91/342520591.db2.gz MGZNSCMUHYWWCN-FZMZJTMJSA-N 0 3 289.335 1.679 10 5 CDBEHN O=[N+]([O-])c1cnccc1N1CC[C@H](N2CCCC2)C1 ZINC000608974216 342086476 /nfs/dbraw/zinc/08/64/76/342086476.db2.gz YYGRZZNZXOGECF-NSHDSACASA-N 0 3 262.313 1.664 10 5 CDBEHN CN1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000609258037 342098735 /nfs/dbraw/zinc/09/87/35/342098735.db2.gz JCXCCJYIYJFOED-LBPRGKRZSA-N 0 3 277.324 1.348 10 5 CDBEHN CO[C@](C)(CO)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000594510134 342912734 /nfs/dbraw/zinc/91/27/34/342912734.db2.gz HVFVFQLSGLAXDT-CABCVRRESA-N 0 3 294.351 1.959 10 5 CDBEHN O=C1CC[C@@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])N1 ZINC000595092242 343003663 /nfs/dbraw/zinc/00/36/63/343003663.db2.gz WHSZFPUMPGTQJR-CABZTGNLSA-N 0 3 275.308 1.450 10 5 CDBEHN N[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1F ZINC000595230277 343009605 /nfs/dbraw/zinc/00/96/05/343009605.db2.gz OUZBVSNEBZKHEG-GHMZBOCLSA-N 0 3 282.275 1.498 10 5 CDBEHN C[C@H](NC[C@@]1(O)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595413746 343051432 /nfs/dbraw/zinc/05/14/32/343051432.db2.gz GXTXTCGEEFRXEV-FZMZJTMJSA-N 0 3 280.324 1.787 10 5 CDBEHN C[C@@]12COC[C@H]1CN(CCOc1ccccc1[N+](=O)[O-])C2 ZINC000595759071 343143132 /nfs/dbraw/zinc/14/31/32/343143132.db2.gz OWTFNHZCXSJBSW-IUODEOHRSA-N 0 3 292.335 1.942 10 5 CDBEHN C[C@H](NC[C@H](O)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000599067309 343948229 /nfs/dbraw/zinc/94/82/29/343948229.db2.gz ZFVKFLMEASCQLX-LEWSCRJBSA-N 0 3 280.324 1.785 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1COC1 ZINC000599083910 343958027 /nfs/dbraw/zinc/95/80/27/343958027.db2.gz YKCRSWMSHMBZKA-SECBINFHSA-N 0 3 266.297 1.900 10 5 CDBEHN CN1C[C@@H]2CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000601594639 344200569 /nfs/dbraw/zinc/20/05/69/344200569.db2.gz NCVJNKFCCQVBNL-JOYOIKCWSA-N 0 3 293.298 1.510 10 5 CDBEHN O=[N+]([O-])c1ccc(CN2CC[C@@H]3OCCN[C@H]3C2)cc1 ZINC000404144283 362518307 /nfs/dbraw/zinc/51/83/07/362518307.db2.gz HPFTVQIGJIVZKD-KBPBESRZSA-N 0 3 277.324 1.158 10 5 CDBEHN CN1CCC[C@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000053297674 362677715 /nfs/dbraw/zinc/67/77/15/362677715.db2.gz OMMKAUZUOLQQRM-SNVBAGLBSA-N 0 3 250.302 1.744 10 5 CDBEHN CN(Cc1cccc([N+](=O)[O-])c1)CC1CC(O)C1 ZINC000091489670 180169349 /nfs/dbraw/zinc/16/93/49/180169349.db2.gz XGWLKXBWOGYQLU-UHFFFAOYSA-N 0 3 250.298 1.798 10 5 CDBEHN CC[C@H](COC)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123498974 187095454 /nfs/dbraw/zinc/09/54/54/187095454.db2.gz PDTLNUIBRXDRAA-MRVWCRGKSA-N 0 3 298.339 1.004 10 5 CDBEHN Cc1ccc(CN[C@H]2CCC(=O)N[C@@H]2C)cc1[N+](=O)[O-] ZINC000282306705 357313762 /nfs/dbraw/zinc/31/37/62/357313762.db2.gz KDFMPYCUMKLHAS-PWSUYJOCSA-N 0 3 277.324 1.660 10 5 CDBEHN CNC(=O)[C@@H](NCc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000362967269 360083848 /nfs/dbraw/zinc/08/38/48/360083848.db2.gz QDGCPGYDOCIEOG-ZDUSSCGKSA-N 0 3 279.340 1.763 10 5 CDBEHN COCCN1CCC[C@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000301297660 200969627 /nfs/dbraw/zinc/96/96/27/200969627.db2.gz SVSVEZPYOHDGGT-NSHDSACASA-N 0 3 297.359 1.159 10 5 CDBEHN CSC[C@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000275148022 192934645 /nfs/dbraw/zinc/93/46/45/192934645.db2.gz GBICEIIJZDOTSY-NXEZZACHSA-N 0 3 270.354 1.969 10 5 CDBEHN CN(C)C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000268072867 364216512 /nfs/dbraw/zinc/21/65/12/364216512.db2.gz AXBXVCOGIUPTHB-VIFPVBQESA-N 0 3 266.301 1.089 10 5 CDBEHN CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000307058324 365097711 /nfs/dbraw/zinc/09/77/11/365097711.db2.gz BIOCWBBBQOJBQN-UHFFFAOYSA-N 0 3 292.076 1.919 10 5 CDBEHN CC(C)(C)C1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000414137001 241083199 /nfs/dbraw/zinc/08/31/99/241083199.db2.gz FYKUDSNZYYYJSU-GFCCVEGCSA-N 0 3 282.344 1.130 10 5 CDBEHN COc1ccc(CNC[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000089168710 370244130 /nfs/dbraw/zinc/24/41/30/370244130.db2.gz FMGLWHSGVOVAAQ-DGCLKSJQSA-N 0 3 280.324 1.854 10 5 CDBEHN CC[C@H](NC[C@@H]1CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000079929093 374430716 /nfs/dbraw/zinc/43/07/16/374430716.db2.gz WBOCLVNDTHUEQV-AAEUAGOBSA-N 0 3 277.324 1.914 10 5 CDBEHN CCCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531883317 374514113 /nfs/dbraw/zinc/51/41/13/374514113.db2.gz FRWNJTLDNUTICV-UHFFFAOYSA-N 0 3 280.328 1.452 10 5 CDBEHN Cc1c(CN[C@@H]2CCC(=O)N[C@H]2C)cccc1[N+](=O)[O-] ZINC000282199445 375071528 /nfs/dbraw/zinc/07/15/28/375071528.db2.gz CMMHRQGGZXWSGJ-CMPLNLGQSA-N 0 3 277.324 1.660 10 5 CDBEHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000069508248 378188753 /nfs/dbraw/zinc/18/87/53/378188753.db2.gz PQBMAYFXASRMFB-JQWIXIFHSA-N 0 3 277.324 1.681 10 5 CDBEHN CC(C)C[C@H](CO)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000185370322 140039357 /nfs/dbraw/zinc/03/93/57/140039357.db2.gz KJAXLDYIIZKPPX-LLVKDONJSA-N 0 3 270.333 1.130 10 5 CDBEHN C[C@@H](NC[C@]1(O)CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000595424163 392567045 /nfs/dbraw/zinc/56/70/45/392567045.db2.gz OKXRSWSCDSIFEW-BXUZGUMPSA-N 0 3 280.324 1.787 10 5 CDBEHN O=[N+]([O-])c1ccc(CN2CC[C@@H](c3nc[nH]n3)C2)c(F)c1 ZINC000425352436 393020168 /nfs/dbraw/zinc/02/01/68/393020168.db2.gz HMEPHVOKHQTPME-SNVBAGLBSA-N 0 3 291.286 1.842 10 5 CDBEHN C[C@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000343162043 152054983 /nfs/dbraw/zinc/05/49/83/152054983.db2.gz ONRQHUJSMYDSEM-JTQLQIEISA-N 0 3 280.328 1.527 10 5 CDBEHN CN(CCCCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000349919635 154272045 /nfs/dbraw/zinc/27/20/45/154272045.db2.gz HKWLOAJHGQURSD-CYBMUJFWSA-N 0 3 298.339 1.039 10 5 CDBEHN CC(=O)NCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020185185 171048108 /nfs/dbraw/zinc/04/81/08/171048108.db2.gz VHPDLSCTQREZBE-SECBINFHSA-N 0 3 251.286 1.382 10 5 CDBEHN CCOc1ncnc(N(C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000040659616 174365865 /nfs/dbraw/zinc/36/58/65/174365865.db2.gz JVFBNNUDZGXMAT-UHFFFAOYSA-N 0 3 295.343 1.314 10 5 CDBEHN CN1CCC[C@@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000044537578 175200370 /nfs/dbraw/zinc/20/03/70/175200370.db2.gz UJWOWSKVAXEJQU-JTQLQIEISA-N 0 3 250.302 1.744 10 5 CDBEHN CN1CCCC[C@@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000044563173 175206801 /nfs/dbraw/zinc/20/68/01/175206801.db2.gz OQCPVJIVEZFCTP-LLVKDONJSA-N 0 3 292.339 1.590 10 5 CDBEHN C[C@H]1CC[C@H](O)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000399168390 270369379 /nfs/dbraw/zinc/36/93/79/270369379.db2.gz BYRQXXSFKIEQBR-GWCFXTLKSA-N 0 3 250.298 1.940 10 5 CDBEHN CS[C@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@H]1N(C)C ZINC000340745409 274186845 /nfs/dbraw/zinc/18/68/45/274186845.db2.gz QIXPBLDLWGNFPD-MNOVXSKESA-N 0 3 282.369 1.472 10 5 CDBEHN O=C(NC1CC(N2CCCCC2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000582858469 325060043 /nfs/dbraw/zinc/06/00/43/325060043.db2.gz OYODAMDJIVAFLP-UHFFFAOYSA-N 0 3 293.327 1.065 10 5 CDBEHN O=[N+]([O-])c1cc(OC[C@H]2CNCCO2)ccc1Cl ZINC000310984769 1159489625 /nfs/dbraw/zinc/48/96/25/1159489625.db2.gz UOIZYZWELAHNTP-SECBINFHSA-N 0 3 272.688 1.615 10 5 CDBEHN CCNCc1ccc(OC[C@H](O)COC)c([N+](=O)[O-])c1 ZINC000069053438 520000193 /nfs/dbraw/zinc/00/01/93/520000193.db2.gz YDHPBNSXRHBXFZ-LLVKDONJSA-N 0 3 284.312 1.090 10 5 CDBEHN CC(C)CNCc1cc([N+](=O)[O-])ccc1O[C@H](C)C(N)=O ZINC000062732057 519747004 /nfs/dbraw/zinc/74/70/04/519747004.db2.gz TYFUCVPQHQPNDB-SNVBAGLBSA-N 0 3 295.339 1.593 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(O[C@@H]2CCCC[C@@H]2O)c1 ZINC000050516748 522125272 /nfs/dbraw/zinc/12/52/72/522125272.db2.gz NJKNYGJQWXHMCD-QWHCGFSZSA-N 0 3 280.324 1.997 10 5 CDBEHN CN[C@@H](CCSc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000062596653 522351356 /nfs/dbraw/zinc/35/13/56/522351356.db2.gz RXTQAPHYWKTPOI-JTQLQIEISA-N 0 3 269.326 1.150 10 5 CDBEHN CN[C@@](COc1ccc(C)cc1[N+](=O)[O-])(C(N)=O)C1CC1 ZINC000069194675 522430360 /nfs/dbraw/zinc/43/03/60/522430360.db2.gz WXUKBQHKCKPGRD-CQSZACIVSA-N 0 3 293.323 1.136 10 5 CDBEHN Cc1cc([N+](=O)[O-])c(C)cc1OCC[C@](C)(N)C(N)=O ZINC000062998285 525557570 /nfs/dbraw/zinc/55/75/70/525557570.db2.gz BBMURAFXGFAXMT-ZDUSSCGKSA-N 0 3 281.312 1.183 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](CC(N)=O)C1 ZINC000183382101 525562596 /nfs/dbraw/zinc/56/25/96/525562596.db2.gz UBGHTAVSQQOUAF-LBPRGKRZSA-N 0 3 291.351 1.991 10 5 CDBEHN O=[N+]([O-])c1ccccc1CNCC1(CCO)CC1 ZINC000157348515 534886781 /nfs/dbraw/zinc/88/67/81/534886781.db2.gz QIWGBZBZKPPMES-UHFFFAOYSA-N 0 3 250.298 1.847 10 5 CDBEHN NCc1cc([N+](=O)[O-])ccc1OCc1ncccn1 ZINC000054458454 527250907 /nfs/dbraw/zinc/25/09/07/527250907.db2.gz XFCXWFGFWGBUFC-UHFFFAOYSA-N 0 3 260.253 1.423 10 5 CDBEHN CC(C)Oc1ncccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106235 617343435 /nfs/dbraw/zinc/34/34/35/617343435.db2.gz BBKYYLBAXLJWRO-VIFPVBQESA-N 0 3 268.269 1.691 10 5 CDBEHN COCCOc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112020 617346555 /nfs/dbraw/zinc/34/65/55/617346555.db2.gz YKWXTNRGQXBBLT-SNVBAGLBSA-N 0 3 283.280 1.534 10 5 CDBEHN Cc1c(CC(=O)N[C@@H]2CCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000928432691 619044016 /nfs/dbraw/zinc/04/40/16/619044016.db2.gz GFDOBYIAGTWWEY-DGCLKSJQSA-N 0 3 291.351 1.655 10 5 CDBEHN Cc1c(C(=O)N[C@@H]2CCN(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000928455936 619120149 /nfs/dbraw/zinc/12/01/49/619120149.db2.gz QPZTYAPMFZKPJS-CMPLNLGQSA-N 0 3 277.324 1.726 10 5 CDBEHN CC(COC(=O)[C@H]1CCCc2nn(C)cc21)[N+](=O)[O-] ZINC000813105448 1163811926 /nfs/dbraw/zinc/81/19/26/1163811926.db2.gz MJCYNAKXXNPKCD-IUCAKERBSA-N 0 3 267.285 1.048 10 5 CDBEHN C[N@@H+]1CC[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC[C@H]21 ZINC000866207698 1164751918 /nfs/dbraw/zinc/75/19/18/1164751918.db2.gz FRWAMGDBFBYKGE-VHSXEESVSA-N 0 3 278.312 1.226 10 5 CDBEHN C[N@H+]1CC[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC[C@H]21 ZINC000866207698 1164751919 /nfs/dbraw/zinc/75/19/19/1164751919.db2.gz FRWAMGDBFBYKGE-VHSXEESVSA-N 0 3 278.312 1.226 10 5 CDBEHN Cc1ccc(N2CC(N[C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001612979219 1165527540 /nfs/dbraw/zinc/52/75/40/1165527540.db2.gz QYXARQLLDJGINF-LLVKDONJSA-N 0 3 277.324 1.470 10 5 CDBEHN C[C@@H](NC[C@H](O)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC001657984692 1172001009 /nfs/dbraw/zinc/00/10/09/1172001009.db2.gz FYROZOLPQIHNLQ-SKDRFNHKSA-N 0 3 268.313 1.377 10 5 CDBEHN CC(COC(=O)Cc1cn(C)c2ccccc12)[N+](=O)[O-] ZINC000813104984 739443716 /nfs/dbraw/zinc/44/37/16/739443716.db2.gz ITGDWCBVCXISMI-SNVBAGLBSA-N 0 3 276.292 1.929 10 5 CDBEHN CCN1CC[C@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000712593715 739861003 /nfs/dbraw/zinc/86/10/03/739861003.db2.gz HDFVJMDGHCSVBK-JTQLQIEISA-N 0 3 255.343 1.840 10 5 CDBEHN CSCC[C@@H](N)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000870963268 740258635 /nfs/dbraw/zinc/25/86/35/740258635.db2.gz XTWGZYNFCYROJZ-LLVKDONJSA-N 0 3 297.380 1.600 10 5 CDBEHN O=[N+]([O-])c1ccc(OC[C@@H]2CNCCO2)cc1F ZINC000080745233 740655442 /nfs/dbraw/zinc/65/54/42/740655442.db2.gz VKXPXZONRHPWQP-VIFPVBQESA-N 0 3 256.233 1.101 10 5 CDBEHN CC(COC(=O)Cc1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000813110423 740825855 /nfs/dbraw/zinc/82/58/55/740825855.db2.gz AEHMGLJUGHJXIT-MRVPVSSYSA-N 0 3 267.237 1.166 10 5 CDBEHN COCc1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813110615 741248132 /nfs/dbraw/zinc/24/81/32/741248132.db2.gz FRVIIGQTVGYAND-ZCFIWIBFSA-N 0 3 274.298 1.420 10 5 CDBEHN C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[C@H]1O ZINC000852502175 741886742 /nfs/dbraw/zinc/88/67/42/741886742.db2.gz BISVHJXJABBYNG-BVIHXZOGSA-N 0 3 294.351 1.577 10 5 CDBEHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000854600551 742237099 /nfs/dbraw/zinc/23/70/99/742237099.db2.gz YATHIUUYJKZPGA-ZANVPECISA-N 0 3 293.298 1.510 10 5 CDBEHN CC(COC(=O)CCOCc1ccccc1)[N+](=O)[O-] ZINC000813103555 742363310 /nfs/dbraw/zinc/36/33/10/742363310.db2.gz QIJPEYYCUWIOHF-NSHDSACASA-N 0 3 267.281 1.802 10 5 CDBEHN COCCOc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813109932 739568817 /nfs/dbraw/zinc/56/88/17/739568817.db2.gz XPNQCCGHOWLIMK-JTQLQIEISA-N 0 3 283.280 1.534 10 5 CDBEHN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCN(C)[C@@H]1C ZINC000719625813 740695065 /nfs/dbraw/zinc/69/50/65/740695065.db2.gz PTSBOBQHYQCHPY-NXEZZACHSA-N 0 3 267.333 1.624 10 5 CDBEHN CC(COC(=O)c1cccc(OCC(F)F)n1)[N+](=O)[O-] ZINC000813112762 740803181 /nfs/dbraw/zinc/80/31/81/740803181.db2.gz KMWIVQJVYWSJAB-SSDOTTSWSA-N 0 3 290.222 1.548 10 5 CDBEHN CC(COC(=O)CCc1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813112240 740969297 /nfs/dbraw/zinc/96/92/97/740969297.db2.gz OHXROZXEOYIBQS-VIFPVBQESA-N 0 3 282.252 1.736 10 5 CDBEHN COC(=O)c1ccc(CCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813114518 742644864 /nfs/dbraw/zinc/64/48/64/742644864.db2.gz SGLULLGLOWPCJH-SNVBAGLBSA-N 0 3 295.291 1.614 10 5 CDBEHN CN(CCO)CCN(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000691356719 937215651 /nfs/dbraw/zinc/21/56/51/937215651.db2.gz RHSSDLSUIPZUOS-UHFFFAOYSA-N 0 3 288.735 1.004 10 5 CDBEHN CC[C@@H](C[N+](=O)[O-])OC(=O)C1CCN(C2CC2)CC1 ZINC001526648116 968584956 /nfs/dbraw/zinc/58/49/56/968584956.db2.gz CDCGXGHKFPSGKP-LBPRGKRZSA-N 0 3 270.329 1.459 10 5 CDBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ccsc1[N+](=O)[O-] ZINC000601180987 342487696 /nfs/dbraw/zinc/48/76/96/342487696.db2.gz BRXQUXAQXUHZND-SECBINFHSA-N 0 3 298.368 1.213 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000590446431 342546703 /nfs/dbraw/zinc/54/67/03/342546703.db2.gz VEVDAKZHCXOYCB-OCCSQVGLSA-N 0 3 289.335 1.300 10 5 CDBEHN Cc1ccc(CN2CCO[C@H](CN(C)C)C2)cc1[N+](=O)[O-] ZINC000128168823 361787626 /nfs/dbraw/zinc/78/76/26/361787626.db2.gz YPAXKXPMNDMQNQ-CQSZACIVSA-N 0 3 293.367 1.666 10 5 CDBEHN Cc1cc(C(=O)N[C@H](CN)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000401745295 342659239 /nfs/dbraw/zinc/65/92/39/342659239.db2.gz URDSZJWMEMCYST-SECBINFHSA-N 0 3 291.229 1.523 10 5 CDBEHN COc1ccc(CNC[C@@](C)(CO)OC)cc1[N+](=O)[O-] ZINC000594508964 342914608 /nfs/dbraw/zinc/91/46/08/342914608.db2.gz FVKJEFCHCXTRGI-ZDUSSCGKSA-N 0 3 284.312 1.090 10 5 CDBEHN CN1C[C@@H](CNCc2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000594981877 342993306 /nfs/dbraw/zinc/99/33/06/342993306.db2.gz BLZYGMGCDOUJPM-SECBINFHSA-N 0 3 297.742 1.816 10 5 CDBEHN COCCN(C)CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000401160862 349712232 /nfs/dbraw/zinc/71/22/32/349712232.db2.gz MRHJVIAZXBUWKL-UHFFFAOYSA-N 0 3 272.280 1.119 10 5 CDBEHN CO[C@@H](CNCc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000594954362 342982921 /nfs/dbraw/zinc/98/29/21/342982921.db2.gz KSPCDMJMGDTUBN-JSGCOSHPSA-N 0 3 280.324 1.736 10 5 CDBEHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000594923693 342988673 /nfs/dbraw/zinc/98/86/73/342988673.db2.gz FNACKMWOSZWXCB-MVWJERBFSA-N 0 3 278.308 1.882 10 5 CDBEHN CN(C)C[C@H](CO)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000596244102 343285887 /nfs/dbraw/zinc/28/58/87/343285887.db2.gz PEUPZSQQWJTHJW-LLVKDONJSA-N 0 3 294.355 1.203 10 5 CDBEHN C[C@H](NC[C@H](O)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000599067301 343948033 /nfs/dbraw/zinc/94/80/33/343948033.db2.gz ZCUNCMIRXPHLGP-BPNCWPANSA-N 0 3 280.324 1.785 10 5 CDBEHN C[C@](O)(C[C@@H](O)CNCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000601966110 344298467 /nfs/dbraw/zinc/29/84/67/344298467.db2.gz PSZWZHPZPUIBLG-CABCVRRESA-N 0 3 294.351 1.596 10 5 CDBEHN CC(C)C1(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000293180216 362537086 /nfs/dbraw/zinc/53/70/86/362537086.db2.gz WQMYQCUVPMSHSL-UHFFFAOYSA-N 0 3 277.324 1.972 10 5 CDBEHN CN1CCNC[C@H]1c1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000263298557 282975656 /nfs/dbraw/zinc/97/56/56/282975656.db2.gz WTCRZLJZMUQTND-NSHDSACASA-N 0 3 289.295 1.221 10 5 CDBEHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)CCN1C ZINC000124269379 187129696 /nfs/dbraw/zinc/12/96/96/187129696.db2.gz ZUFJAFIEBVSZNK-NXEZZACHSA-N 0 3 281.312 1.743 10 5 CDBEHN CN(C[C@@H]1CCCN(C)C1)c1ccncc1[N+](=O)[O-] ZINC000360337259 357070529 /nfs/dbraw/zinc/07/05/29/357070529.db2.gz RMSNYYJGBYKSFG-LLVKDONJSA-N 0 3 264.329 1.768 10 5 CDBEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000282478749 364108964 /nfs/dbraw/zinc/10/89/64/364108964.db2.gz LKURJDGFFMBCLK-KWQFWETISA-N 0 3 281.287 1.491 10 5 CDBEHN COc1ccc(CNc2nccn2C)cc1[N+](=O)[O-] ZINC000414300026 241146357 /nfs/dbraw/zinc/14/63/57/241146357.db2.gz KLLQXMGQGPIVCV-UHFFFAOYSA-N 0 3 262.269 1.949 10 5 CDBEHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])n2C)CCN1C ZINC000356359864 370163814 /nfs/dbraw/zinc/16/38/14/370163814.db2.gz JAABAQCIFPOIQQ-QWRGUYRKSA-N 0 3 294.355 1.488 10 5 CDBEHN CC(C)C[C@H](CN(C)C)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000164019398 292848520 /nfs/dbraw/zinc/84/85/20/292848520.db2.gz KDYJRKILJDQRGS-SNVBAGLBSA-N 0 3 297.359 1.034 10 5 CDBEHN O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H](c2nc[nH]n2)C1 ZINC000425546071 374443293 /nfs/dbraw/zinc/44/32/93/374443293.db2.gz KNXBRRIPVXIEFR-SECBINFHSA-N 0 3 291.286 1.842 10 5 CDBEHN C[C@H]1[C@@H](O)CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000296274269 375210476 /nfs/dbraw/zinc/21/04/76/375210476.db2.gz OOEOVYZNRAKCSP-FZMZJTMJSA-N 0 3 264.325 1.983 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000049096435 375402118 /nfs/dbraw/zinc/40/21/18/375402118.db2.gz RZRFUGJMTNAAOP-LBPRGKRZSA-N 0 3 263.297 1.419 10 5 CDBEHN COc1cc(N2CCNC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000212811617 377824707 /nfs/dbraw/zinc/82/47/07/377824707.db2.gz BAMPXGLXDNINDO-UHFFFAOYSA-N 0 3 283.303 1.931 10 5 CDBEHN O=[N+]([O-])c1ccc(NC[C@H]2CCCCN2CCO)cc1 ZINC000450618548 251370208 /nfs/dbraw/zinc/37/02/08/251370208.db2.gz SUEJJURCJRJJIP-CQSZACIVSA-N 0 3 279.340 1.854 10 5 CDBEHN O=[N+]([O-])c1cccc(F)c1NC[C@H](O)CN1CCCCC1 ZINC000286020094 390190324 /nfs/dbraw/zinc/19/03/24/390190324.db2.gz FTBCZYQXDOLDKP-NSHDSACASA-N 0 3 297.330 1.993 10 5 CDBEHN C[C@H](CO)[C@H](C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000273959307 392759388 /nfs/dbraw/zinc/75/93/88/392759388.db2.gz GFQOQABADNHREY-MNOVXSKESA-N 0 3 295.339 1.164 10 5 CDBEHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000532141386 393067231 /nfs/dbraw/zinc/06/72/31/393067231.db2.gz OIIHHEWVSLQYOQ-JTQLQIEISA-N 0 3 290.323 1.204 10 5 CDBEHN Cc1cc(C(=O)N2CCN3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000195315008 140153136 /nfs/dbraw/zinc/15/31/36/140153136.db2.gz AUTUDBYBFTUBEN-CYBMUJFWSA-N 0 3 289.335 1.823 10 5 CDBEHN COC(=O)CCCNCc1ccccc1[N+](=O)[O-] ZINC000037395177 173175096 /nfs/dbraw/zinc/17/50/96/173175096.db2.gz AUAYMJCLHUYDJC-UHFFFAOYSA-N 0 3 252.270 1.638 10 5 CDBEHN CCCNCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000044291598 175160184 /nfs/dbraw/zinc/16/01/84/175160184.db2.gz YFMWGBNEEZKATC-UHFFFAOYSA-N 0 3 281.268 1.262 10 5 CDBEHN O=[N+]([O-])c1ccc(CCNCc2cncnc2)cc1 ZINC000054768071 275035125 /nfs/dbraw/zinc/03/51/25/275035125.db2.gz QESWQPUJPYPWGS-UHFFFAOYSA-N 0 3 258.281 1.717 10 5 CDBEHN COc1cccc(N2CCN3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000249284931 278016450 /nfs/dbraw/zinc/01/64/50/278016450.db2.gz IARVFVHMJDSBND-NSHDSACASA-N 0 3 277.324 1.888 10 5 CDBEHN CC(C)C[C@H](CO)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000185336284 279168626 /nfs/dbraw/zinc/16/86/26/279168626.db2.gz XOZZOLXGDKPWCK-CYBMUJFWSA-N 0 3 297.355 1.095 10 5 CDBEHN Cc1cc(C)c([N+](=O)[O-])c(N2CCN3CCC[C@@H]3C2)n1 ZINC000408169830 280398657 /nfs/dbraw/zinc/39/86/57/280398657.db2.gz AZZDVNIZVMGXBP-GFCCVEGCSA-N 0 3 276.340 1.891 10 5 CDBEHN Cc1cc(N2CCC[C@@H]2CN(C)C)ncc1[N+](=O)[O-] ZINC000268633173 301336176 /nfs/dbraw/zinc/33/61/76/301336176.db2.gz PJFLHZLDQWSNCT-LLVKDONJSA-N 0 3 264.329 1.829 10 5 CDBEHN CC(C)N[C@@H](CCOc1ccccc1[N+](=O)[O-])C(N)=O ZINC000062539557 519734633 /nfs/dbraw/zinc/73/46/33/519734633.db2.gz ZTQMYXJZHBEOOY-JTQLQIEISA-N 0 3 281.312 1.216 10 5 CDBEHN CN(C)C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(N)c1 ZINC000061656078 521865278 /nfs/dbraw/zinc/86/52/78/521865278.db2.gz PLUZYOYBZPLVOT-LLVKDONJSA-N 0 3 292.339 1.343 10 5 CDBEHN CNC(C)(C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000061300272 521940522 /nfs/dbraw/zinc/94/05/22/521940522.db2.gz TUJLZIMBAXMIPT-UHFFFAOYSA-N 0 3 251.286 1.840 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(O[C@H]2CCCCNC2=O)c1 ZINC000050516874 522126804 /nfs/dbraw/zinc/12/68/04/522126804.db2.gz FSHVGTGTGLVFDU-LBPRGKRZSA-N 0 3 293.323 1.362 10 5 CDBEHN CN[C@@](C)(C[C@H](C)Oc1ccc(F)cc1[N+](=O)[O-])C(N)=O ZINC000068658372 522418291 /nfs/dbraw/zinc/41/82/91/522418291.db2.gz VMSWCMUFOGPCTJ-SDBXPKJASA-N 0 3 299.302 1.355 10 5 CDBEHN CO[C@@H]1CN[C@H](C(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000050439857 523741912 /nfs/dbraw/zinc/74/19/12/523741912.db2.gz XLCZNDGNNJITBO-JQWIXIFHSA-N 0 3 293.323 1.527 10 5 CDBEHN C[C@@H]1CNC[C@@H](C)N1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000069133495 525096088 /nfs/dbraw/zinc/09/60/88/525096088.db2.gz YDUGEMPCLKNSLW-NXEZZACHSA-N 0 3 278.312 1.809 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](CC(N)=O)C1 ZINC000183382075 525564378 /nfs/dbraw/zinc/56/43/78/525564378.db2.gz UBGHTAVSQQOUAF-GFCCVEGCSA-N 0 3 291.351 1.991 10 5 CDBEHN COc1ccc(C(C)=O)cc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813102156 617342100 /nfs/dbraw/zinc/34/21/00/617342100.db2.gz OLXZFSFKBXEMHT-SECBINFHSA-N 0 3 295.291 1.649 10 5 CDBEHN C[C@H](NC[C@H](O)C(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC001655555850 1171703776 /nfs/dbraw/zinc/70/37/76/1171703776.db2.gz YLUZRDBRMRODHF-CABZTGNLSA-N 0 3 268.313 1.377 10 5 CDBEHN CC(COC(=O)c1ccc([S@](C)=O)cc1)[N+](=O)[O-] ZINC000813113633 742899974 /nfs/dbraw/zinc/89/99/74/742899974.db2.gz HFTNKSLHZSDCMS-CVJBHZAOSA-N 0 3 271.294 1.246 10 5 CDBEHN COc1cc(F)c([N+](=O)[O-])c(N2C[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC000828988107 745064145 /nfs/dbraw/zinc/06/41/45/745064145.db2.gz RIYRODUPUSRIJQ-TVQRCGJNSA-N 0 3 295.314 1.883 10 5 CDBEHN C[C@H](NC[C@H](O)CC1(O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000859319712 745780077 /nfs/dbraw/zinc/78/00/77/745780077.db2.gz SIIGHYFXDUUCTF-SMDDNHRTSA-N 0 3 294.351 1.911 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(C)[C@@H]2C)n1 ZINC000719627495 746134611 /nfs/dbraw/zinc/13/46/11/746134611.db2.gz VNDMXSQWDWNTKR-NXEZZACHSA-N 0 3 250.302 1.803 10 5 CDBEHN CC(COC(=O)c1cccnc1C1CC1)[N+](=O)[O-] ZINC000813107154 747020504 /nfs/dbraw/zinc/02/05/04/747020504.db2.gz LEKXPLLGBMXOMH-MRVPVSSYSA-N 0 3 250.254 1.781 10 5 CDBEHN CCCn1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813113787 748269693 /nfs/dbraw/zinc/26/96/93/748269693.db2.gz IYKXAGQXPPKPPW-MRVPVSSYSA-N 0 3 269.301 1.732 10 5 CDBEHN CC(COC(=O)[C@@H]1CCCN1c1ccccc1)[N+](=O)[O-] ZINC000813112495 748307964 /nfs/dbraw/zinc/30/79/64/748307964.db2.gz QTCGXBBMIDRAPS-AAEUAGOBSA-N 0 3 278.308 1.864 10 5 CDBEHN CCN1CC[C@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000712596530 748710352 /nfs/dbraw/zinc/71/03/52/748710352.db2.gz UYLFWNZSGPZSBU-LBPRGKRZSA-N 0 3 267.304 1.918 10 5 CDBEHN C[C@@H]1CC[C@@H](O)CN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000817288701 748826391 /nfs/dbraw/zinc/82/63/91/748826391.db2.gz LGVAJYLQUNVVSU-HONMWMINSA-N 0 3 280.324 1.473 10 5 CDBEHN CC(COC(=O)CCn1cc(Cl)cn1)[N+](=O)[O-] ZINC000813107045 749067930 /nfs/dbraw/zinc/06/79/30/749067930.db2.gz LCOHDVDUAKOWEY-SSDOTTSWSA-N 0 3 261.665 1.135 10 5 CDBEHN CN(C)CCN(C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601123412 342471415 /nfs/dbraw/zinc/47/14/15/342471415.db2.gz CHGRMKIKVNGCBK-UHFFFAOYSA-N 0 3 295.265 1.345 10 5 CDBEHN Cc1ccc(NC(=O)[C@H]2CNCCOC2)cc1[N+](=O)[O-] ZINC000591590344 342635759 /nfs/dbraw/zinc/63/57/59/342635759.db2.gz RBAPCPDNZIFQKE-JTQLQIEISA-N 0 3 279.296 1.078 10 5 CDBEHN Cn1cnc(CCCNCc2cccc([N+](=O)[O-])c2)n1 ZINC000592373238 342686492 /nfs/dbraw/zinc/68/64/92/342686492.db2.gz JHKOZIKTNFWWQV-UHFFFAOYSA-N 0 3 275.312 1.446 10 5 CDBEHN CO[C@@](C)(CO)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000594509447 342914917 /nfs/dbraw/zinc/91/49/17/342914917.db2.gz IMHJFIAVQWVXAW-CYBMUJFWSA-N 0 3 268.313 1.390 10 5 CDBEHN CO[C@](C)(CO)CNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000594509661 342915053 /nfs/dbraw/zinc/91/50/53/342915053.db2.gz JZVFRHJIESFLRU-XCHKQJEOSA-N 0 3 294.351 1.985 10 5 CDBEHN COc1ccc(CN[C@H]2C[C@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000594985895 342993756 /nfs/dbraw/zinc/99/37/56/342993756.db2.gz CHSJSBLEFBLZNL-KBPBESRZSA-N 0 3 292.335 1.997 10 5 CDBEHN COC[C@H](CN(C)CCc1cccc([N+](=O)[O-])c1)OC ZINC000595476735 343064086 /nfs/dbraw/zinc/06/40/86/343064086.db2.gz OFPLPNHTRMIWLU-AWEZNQCLSA-N 0 3 282.340 1.731 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CN[C@H](CO)C1CCC1 ZINC000595616858 343110053 /nfs/dbraw/zinc/11/00/53/343110053.db2.gz OLQUPNWAXNRKFD-CYBMUJFWSA-N 0 3 280.324 1.854 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN(C[C@H]1CNCCO1)C1CC1 ZINC000595893575 343182777 /nfs/dbraw/zinc/18/27/77/343182777.db2.gz SHLFBWHNSNEJEZ-CQSZACIVSA-N 0 3 291.351 1.548 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1COCCN1C ZINC000599003602 343937421 /nfs/dbraw/zinc/93/74/21/343937421.db2.gz LFTCTIWRTFJHAB-CQSZACIVSA-N 0 3 279.340 1.323 10 5 CDBEHN C/C=C/CNCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000599005754 343937741 /nfs/dbraw/zinc/93/77/41/343937741.db2.gz REOUVZONKREODB-ONEGZZNKSA-N 0 3 294.307 1.812 10 5 CDBEHN O=[N+]([O-])c1cccc(CNC[C@@H](O)[C@@H]2CCCO2)c1 ZINC000598989011 343935330 /nfs/dbraw/zinc/93/53/30/343935330.db2.gz XPESXSPTATWJLL-OLZOCXBDSA-N 0 3 266.297 1.224 10 5 CDBEHN Cc1ccc([C@@H](C)N[C@H]2C[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000599071014 343948872 /nfs/dbraw/zinc/94/88/72/343948872.db2.gz OXEFKSLMUFOMGT-YUSALJHKSA-N 0 3 277.324 1.818 10 5 CDBEHN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599645206 344112932 /nfs/dbraw/zinc/11/29/32/344112932.db2.gz QVNSBGMKYRYIJW-KLPPZKSPSA-N 0 3 293.323 1.169 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000603843246 344837856 /nfs/dbraw/zinc/83/78/56/344837856.db2.gz HTRLFUOABCTCTL-ZWNOBZJWSA-N 0 3 290.323 1.763 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CN(C)C[C@H]1C ZINC000344219225 362557321 /nfs/dbraw/zinc/55/73/21/362557321.db2.gz NTIVUBAOMQJBSH-MFKMUULPSA-N 0 3 279.340 1.643 10 5 CDBEHN O=[N+]([O-])c1ccccc1CNCC[C@]1(O)CCOC1 ZINC000404178948 346681137 /nfs/dbraw/zinc/68/11/37/346681137.db2.gz WDULJRVPJCWFQA-ZDUSSCGKSA-N 0 3 266.297 1.226 10 5 CDBEHN COC[C@H](CNCc1ccc([N+](=O)[O-])cc1C)OC ZINC000273419515 192144584 /nfs/dbraw/zinc/14/45/84/192144584.db2.gz QHOJYSWAQXZYPU-ZDUSSCGKSA-N 0 3 268.313 1.654 10 5 CDBEHN CC(C)(CN1CCOCC1)NCc1csc([N+](=O)[O-])c1 ZINC000308638299 356329907 /nfs/dbraw/zinc/32/99/07/356329907.db2.gz FBFSVQIHCGSTME-UHFFFAOYSA-N 0 3 299.396 1.857 10 5 CDBEHN CCN1CC[C@@H](N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C1 ZINC000389263452 357352572 /nfs/dbraw/zinc/35/25/72/357352572.db2.gz DTDJNXFYFVXMNC-SECBINFHSA-N 0 3 275.312 1.399 10 5 CDBEHN O=[N+]([O-])c1ccc(OC[C@H]2CNCCO2)c(F)c1 ZINC000080745200 359002267 /nfs/dbraw/zinc/00/22/67/359002267.db2.gz RPGWMBBMHZMWPZ-SECBINFHSA-N 0 3 256.233 1.101 10 5 CDBEHN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000531887498 374514271 /nfs/dbraw/zinc/51/42/71/374514271.db2.gz YGSJLTJWRYVCAP-ZJUUUORDSA-N 0 3 290.323 1.345 10 5 CDBEHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@]2(CNC(=O)C2)C1 ZINC000278856093 374862673 /nfs/dbraw/zinc/86/26/73/374862673.db2.gz KRQBQJGPVAQHEN-XHDPSFHLSA-N 0 3 289.335 1.868 10 5 CDBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@](C)(C(N)=O)C1 ZINC000280700266 375014403 /nfs/dbraw/zinc/01/44/03/375014403.db2.gz IIYBTEZLEUCHCN-HZMBPMFUSA-N 0 3 277.324 1.853 10 5 CDBEHN COC[C@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282549224 375093080 /nfs/dbraw/zinc/09/30/80/375093080.db2.gz XBBYYKYYMLSJBN-CYBMUJFWSA-N 0 3 268.313 1.076 10 5 CDBEHN CC(C)[C@@](C)(CO)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000352870775 375549112 /nfs/dbraw/zinc/54/91/12/375549112.db2.gz LQGJPNLNMXAPRF-CQSZACIVSA-N 0 3 295.339 1.190 10 5 CDBEHN C[C@H]1CC[C@@H](N)[C@H](S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000081941981 177905502 /nfs/dbraw/zinc/90/55/02/177905502.db2.gz MMIXQTHNKSACEC-ZWKOPEQDSA-N 0 3 298.364 1.884 10 5 CDBEHN CN(C)C[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000108951656 390625007 /nfs/dbraw/zinc/62/50/07/390625007.db2.gz CMOYFGUTQPSJBO-JTQLQIEISA-N 0 3 283.303 1.501 10 5 CDBEHN COC[C@@](C)(O)CCNCc1ccc([N+](=O)[O-])cc1C ZINC000449382345 391193105 /nfs/dbraw/zinc/19/31/05/391193105.db2.gz CGFLHPKWUQKMKP-AWEZNQCLSA-N 0 3 282.340 1.780 10 5 CDBEHN COCC[C@H](COC)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000314041733 149251314 /nfs/dbraw/zinc/25/13/14/149251314.db2.gz SAXVJCHIJNZHFE-GFCCVEGCSA-N 0 3 298.339 1.745 10 5 CDBEHN CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1O ZINC000352661802 155332304 /nfs/dbraw/zinc/33/23/04/155332304.db2.gz YNANEQUDCCAITG-OLZOCXBDSA-N 0 3 250.298 1.940 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1NC(=S)NCCN(C)C ZINC000006948529 170258432 /nfs/dbraw/zinc/25/84/32/170258432.db2.gz HCKJLERXSSZCKU-UHFFFAOYSA-N 0 3 298.368 1.451 10 5 CDBEHN C[C@H](NCCCN1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000020526221 171239275 /nfs/dbraw/zinc/23/92/75/171239275.db2.gz ACMBWEVIWKPOKK-ZDUSSCGKSA-N 0 3 293.367 1.968 10 5 CDBEHN COCCCNCc1cc([N+](=O)[O-])c(F)cc1F ZINC000037232506 173050793 /nfs/dbraw/zinc/05/07/93/173050793.db2.gz ZXNGHDOCYPGGOL-UHFFFAOYSA-N 0 3 260.240 1.999 10 5 CDBEHN CNCc1ccc(OC[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000041079092 174473041 /nfs/dbraw/zinc/47/30/41/174473041.db2.gz AWDKXSNOIHPWBK-NSHDSACASA-N 0 3 266.297 1.730 10 5 CDBEHN CCN[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300776 175001716 /nfs/dbraw/zinc/00/17/16/175001716.db2.gz AQCRUSVHSZOWNI-WCQYABFASA-N 0 3 298.364 1.680 10 5 CDBEHN CCN1CCC(n2nc(C)c([N+](=O)[O-])c2N)CC1 ZINC000043670270 175087213 /nfs/dbraw/zinc/08/72/13/175087213.db2.gz ZKTVYPCCPNEVJG-UHFFFAOYSA-N 0 3 253.306 1.339 10 5 CDBEHN CCN[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1=O ZINC000071034361 176024202 /nfs/dbraw/zinc/02/42/02/176024202.db2.gz CEMOPCMGPQZBLN-NSHDSACASA-N 0 3 263.297 1.305 10 5 CDBEHN CCCN[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1=O ZINC000071036997 176025836 /nfs/dbraw/zinc/02/58/36/176025836.db2.gz GECDYKSJGLMEDY-NSHDSACASA-N 0 3 281.287 1.839 10 5 CDBEHN CCN[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2OC)C1=O ZINC000071042993 176029094 /nfs/dbraw/zinc/02/90/94/176029094.db2.gz NSRMUMYYLPLONV-SNVBAGLBSA-N 0 3 279.296 1.318 10 5 CDBEHN Cc1c([N+](=O)[O-])ccc(=O)n1CCN1CCCCC1 ZINC000071526764 176194361 /nfs/dbraw/zinc/19/43/61/176194361.db2.gz SQWDENMSQGUNPG-UHFFFAOYSA-N 0 3 265.313 1.551 10 5 CDBEHN C[C@H]1CCN(CC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000561308896 293077001 /nfs/dbraw/zinc/07/70/01/293077001.db2.gz JRUVFLRMJOQYIB-LBPRGKRZSA-N 0 3 291.351 1.595 10 5 CDBEHN CC(C)N[C@H](CCOc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000062539335 519738556 /nfs/dbraw/zinc/73/85/56/519738556.db2.gz RJVPBZJCTSZLFX-GFCCVEGCSA-N 0 3 281.312 1.216 10 5 CDBEHN CNC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000061318984 521943502 /nfs/dbraw/zinc/94/35/02/521943502.db2.gz RKBDDPNVPKMHLY-UHFFFAOYSA-N 0 3 255.249 1.670 10 5 CDBEHN CC(C)NC(=O)[C@H](C)Oc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516495 519715729 /nfs/dbraw/zinc/71/57/29/519715729.db2.gz IGEGUGFAFFOZIL-VIFPVBQESA-N 0 3 281.312 1.345 10 5 CDBEHN CCNC(C)(C)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000061291125 519906555 /nfs/dbraw/zinc/90/65/55/519906555.db2.gz YWZKDBFLSOIMEV-UHFFFAOYSA-N 0 3 295.295 1.650 10 5 CDBEHN CCCNc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)C ZINC000050725894 520170185 /nfs/dbraw/zinc/17/01/85/520170185.db2.gz DWTXUYLHETYJPN-UHFFFAOYSA-N 0 3 294.355 1.708 10 5 CDBEHN CCN(CC)CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000337470053 520573263 /nfs/dbraw/zinc/57/32/63/520573263.db2.gz QKUQUFJFKOMEFU-UHFFFAOYSA-N 0 3 292.339 1.216 10 5 CDBEHN CNCc1ccc(OCc2ncccn2)c([N+](=O)[O-])c1 ZINC000054458325 522124580 /nfs/dbraw/zinc/12/45/80/522124580.db2.gz AKFYSBLDTNEANK-UHFFFAOYSA-N 0 3 274.280 1.683 10 5 CDBEHN CN1CCCN(Cc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000050812361 523810169 /nfs/dbraw/zinc/81/01/69/523810169.db2.gz FVBAHBYJAYNQKD-UHFFFAOYSA-N 0 3 264.329 1.315 10 5 CDBEHN COCCNCc1ccc(OC[C@H](C)O)c([N+](=O)[O-])c1 ZINC000062730726 523953614 /nfs/dbraw/zinc/95/36/14/523953614.db2.gz UXORBDUEMAFDOY-JTQLQIEISA-N 0 3 284.312 1.090 10 5 CDBEHN CN1CC[C@H](CNc2ncnc(Cl)c2[N+](=O)[O-])C1 ZINC000050455168 523982661 /nfs/dbraw/zinc/98/26/61/523982661.db2.gz BGNRYFCTOVNBKQ-SSDOTTSWSA-N 0 3 271.708 1.402 10 5 CDBEHN C[C@H]1CNC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000069132974 524699751 /nfs/dbraw/zinc/69/97/51/524699751.db2.gz ZQVHYVHOWLHUAU-YUMQZZPRSA-N 0 3 269.326 1.479 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000183207780 525562861 /nfs/dbraw/zinc/56/28/61/525562861.db2.gz WCMJMAVQENVDGZ-GFCCVEGCSA-N 0 3 277.324 1.601 10 5 CDBEHN O=[N+]([O-])c1ccc(CNCCc2cn[nH]c2)c(F)c1 ZINC000353217979 527351322 /nfs/dbraw/zinc/35/13/22/527351322.db2.gz ZUTWZSXHWBLTJO-UHFFFAOYSA-N 0 3 264.260 1.789 10 5 CDBEHN Cc1nn(CN(C)[C@@H]2CCN(C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000732188607 575082868 /nfs/dbraw/zinc/08/28/68/575082868.db2.gz KVYUPNQCWONGBB-CYBMUJFWSA-N 0 3 293.371 1.534 10 5 CDBEHN CC(COC(=O)COc1ccccc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813104760 617343057 /nfs/dbraw/zinc/34/30/57/617343057.db2.gz RCSQZDITUQXYKA-QMMMGPOBSA-N 0 3 284.224 1.182 10 5 CDBEHN CC(COC(=O)CSc1ccncc1)[N+](=O)[O-] ZINC000813106999 617343909 /nfs/dbraw/zinc/34/39/09/617343909.db2.gz JWQGTGBBZHOZEK-QMMMGPOBSA-N 0 3 256.283 1.382 10 5 CDBEHN CC(COC(=O)C(=O)c1cnn(C(C)(C)C)c1)[N+](=O)[O-] ZINC000813112199 617346958 /nfs/dbraw/zinc/34/69/58/617346958.db2.gz DERCNKCPBNKTDV-QMMMGPOBSA-N 0 3 283.284 1.029 10 5 CDBEHN C[C@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000902926181 625641995 /nfs/dbraw/zinc/64/19/95/625641995.db2.gz AGSQDKXKEUGWON-GZMMTYOYSA-N 0 3 296.302 1.948 10 5 CDBEHN Cc1c(CN[C@@H]2CCC(=O)N(C)C2)cccc1[N+](=O)[O-] ZINC000084088739 1158741181 /nfs/dbraw/zinc/74/11/81/1158741181.db2.gz OKFRJEVRMIZMQC-GFCCVEGCSA-N 0 3 277.324 1.614 10 5 CDBEHN NC(=O)c1cc(N[C@H]2CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC001613060243 1165529492 /nfs/dbraw/zinc/52/94/92/1165529492.db2.gz LIHIDFNDQMDLKZ-LBPRGKRZSA-N 0 3 290.323 1.200 10 5 CDBEHN CN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001639135767 1166903489 /nfs/dbraw/zinc/90/34/89/1166903489.db2.gz LKNXOLNPFMKABB-GFCCVEGCSA-N 0 3 277.324 1.665 10 5 CDBEHN COCCOc1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813110492 1163816773 /nfs/dbraw/zinc/81/67/73/1163816773.db2.gz BSORYFDMYKGOLW-NSHDSACASA-N 0 3 297.307 1.463 10 5 CDBEHN CC(COC(=O)c1cnn2c1CCCC2)[N+](=O)[O-] ZINC000813104322 751688417 /nfs/dbraw/zinc/68/84/17/751688417.db2.gz MKFZEUZQSXFDHT-QMMMGPOBSA-N 0 3 253.258 1.041 10 5 CDBEHN CCOC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111901 752844576 /nfs/dbraw/zinc/84/45/76/752844576.db2.gz LGUUWQRXVYMWJC-SECBINFHSA-N 0 3 281.264 1.685 10 5 CDBEHN CC(COC(=O)C[C@@H]1CSCCS1)[N+](=O)[O-] ZINC000813112624 749571131 /nfs/dbraw/zinc/57/11/31/749571131.db2.gz RUKMDMWIIFUUIH-HTQZYQBOSA-N 0 3 265.356 1.434 10 5 CDBEHN CC[C@@H](C)n1nc(C(=O)OCC(C)[N+](=O)[O-])cc1C ZINC000813113293 749817883 /nfs/dbraw/zinc/81/78/83/749817883.db2.gz PDADVJBGHFDQLV-PSASIEDQSA-N 0 3 269.301 1.985 10 5 CDBEHN C[C@H](NC[C@@H](O)CC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000872200542 750074718 /nfs/dbraw/zinc/07/47/18/750074718.db2.gz IOVHZELOUOYATE-GWCFXTLKSA-N 0 3 282.340 1.767 10 5 CDBEHN COCc1ccsc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103336 750193482 /nfs/dbraw/zinc/19/34/82/750193482.db2.gz OLZVPYJSKHQFME-SSDOTTSWSA-N 0 3 259.283 1.717 10 5 CDBEHN Cn1cc(C2C[C@H]3CC[C@@H](C2)N3CC[N+](=O)[O-])cn1 ZINC000931704612 751042007 /nfs/dbraw/zinc/04/20/07/751042007.db2.gz XFELIYTZHHFIJF-VGPLMAKISA-N 0 3 264.329 1.407 10 5 CDBEHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCN(C)[C@@H]1C ZINC000719625836 751311937 /nfs/dbraw/zinc/31/19/37/751311937.db2.gz PTSBOBQHYQCHPY-ZJUUUORDSA-N 0 3 267.333 1.624 10 5 CDBEHN CC(C)COc1ncccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109104 753215284 /nfs/dbraw/zinc/21/52/84/753215284.db2.gz FDCYIXRKRLNVFG-SNVBAGLBSA-N 0 3 282.296 1.938 10 5 CDBEHN CC(COC(=O)[C@H]1CCN(CC(F)(F)F)C1)[N+](=O)[O-] ZINC000813110746 753500829 /nfs/dbraw/zinc/50/08/29/753500829.db2.gz INWXKLFTDVDRRP-YUMQZZPRSA-N 0 3 284.234 1.079 10 5 CDBEHN C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923494476 923881224 /nfs/dbraw/zinc/88/12/24/923881224.db2.gz NFWGQMCNJDZVLN-QWRGUYRKSA-N 0 3 279.340 1.717 10 5 CDBEHN CC[C@H](C)[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001197727476 925206059 /nfs/dbraw/zinc/20/60/59/925206059.db2.gz COVWVJKCCRXVTE-XDTLVQLUSA-N 0 3 295.339 1.118 10 5 CDBEHN CN1CC=C(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000588012663 342490589 /nfs/dbraw/zinc/49/05/89/342490589.db2.gz VKHUSVYERISBKO-UHFFFAOYSA-N 0 3 292.339 1.343 10 5 CDBEHN Nc1cc(NCCN2CC=CCC2)cc(CO)c1[N+](=O)[O-] ZINC000588038050 342491155 /nfs/dbraw/zinc/49/11/55/342491155.db2.gz IYUMPZZZERUDPR-UHFFFAOYSA-N 0 3 292.339 1.343 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000590445816 342546679 /nfs/dbraw/zinc/54/66/79/342546679.db2.gz SIQFWMLTARGXDA-NOZJJQNGSA-N 0 3 293.298 1.510 10 5 CDBEHN CN1C[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590446427 342546767 /nfs/dbraw/zinc/54/67/67/342546767.db2.gz VEVDAKZHCXOYCB-GXTWGEPZSA-N 0 3 289.335 1.300 10 5 CDBEHN CN(C)C[C@@H]1CCCN1c1ncccc1[N+](=O)[O-] ZINC000268183722 282119066 /nfs/dbraw/zinc/11/90/66/282119066.db2.gz NUQVUVQXOLDKKH-JTQLQIEISA-N 0 3 250.302 1.520 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@]1(C)CCC(=O)N1 ZINC000453585558 252327900 /nfs/dbraw/zinc/32/79/00/252327900.db2.gz GVAQNDOSBNIVCJ-AWEZNQCLSA-N 0 3 277.324 1.662 10 5 CDBEHN O=C(NC[C@@H]1CCN1C1CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000600473943 342215319 /nfs/dbraw/zinc/21/53/19/342215319.db2.gz VCCGCOSSQHYFRW-NSHDSACASA-N 0 3 292.339 1.670 10 5 CDBEHN CO[C@H](CNCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000594953872 342982639 /nfs/dbraw/zinc/98/26/39/342982639.db2.gz JZEJILPNFZGCFJ-TZMCWYRMSA-N 0 3 280.324 1.736 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN[C@@H]1C[C@H](O)C12CCC2 ZINC000594988764 342994326 /nfs/dbraw/zinc/99/43/26/342994326.db2.gz RPIVQQSEJIUOIE-OLZOCXBDSA-N 0 3 262.309 1.988 10 5 CDBEHN CN(CCNc1ccc2ncc([N+](=O)[O-])n2n1)C1CC1 ZINC000091459811 342403780 /nfs/dbraw/zinc/40/37/80/342403780.db2.gz QRECRWNXUFDSOB-UHFFFAOYSA-N 0 3 276.300 1.144 10 5 CDBEHN COCCN1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C ZINC000092649502 342415831 /nfs/dbraw/zinc/41/58/31/342415831.db2.gz OPLAPSIAXDDPCV-GFCCVEGCSA-N 0 3 294.355 1.821 10 5 CDBEHN COc1ccc(CNC[C@@H]2COCCN2C)cc1[N+](=O)[O-] ZINC000599002858 343937249 /nfs/dbraw/zinc/93/72/49/343937249.db2.gz CQHIXYLPMHAZCM-GFCCVEGCSA-N 0 3 295.339 1.024 10 5 CDBEHN Cc1nc(N2CCc3nccc(N)c3C2)ccc1[N+](=O)[O-] ZINC000598941938 343923764 /nfs/dbraw/zinc/92/37/64/343923764.db2.gz IBYYFCXBTNAXTA-UHFFFAOYSA-N 0 3 285.307 1.838 10 5 CDBEHN CN1CCNC[C@@H]1c1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000263232504 362366031 /nfs/dbraw/zinc/36/60/31/362366031.db2.gz NOOZGIGEMKWEPP-LLVKDONJSA-N 0 3 289.295 1.221 10 5 CDBEHN Nc1ccc([N+](=O)[O-])c(N2CCN3CCC[C@@H]3C2)c1 ZINC000193415910 358293667 /nfs/dbraw/zinc/29/36/67/358293667.db2.gz CZLSPXBHNPYHCH-LLVKDONJSA-N 0 3 262.313 1.461 10 5 CDBEHN COC[C@](C)(CCO)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000267402866 360789404 /nfs/dbraw/zinc/78/94/04/360789404.db2.gz XUYRZTSSWWYUHO-AWEZNQCLSA-N 0 3 282.340 1.780 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CC[C@@]3(C2)CCCOC3)n1 ZINC000367452586 361424371 /nfs/dbraw/zinc/42/43/71/361424371.db2.gz UVBACSRVJXAMFO-CYBMUJFWSA-N 0 3 280.328 1.294 10 5 CDBEHN COc1cc(C(=O)N2CC[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000170863760 365142674 /nfs/dbraw/zinc/14/26/74/365142674.db2.gz DGLGRGWPPXZCQQ-LLVKDONJSA-N 0 3 293.323 1.380 10 5 CDBEHN Cc1sc(C(=O)NC[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000368186497 371823396 /nfs/dbraw/zinc/82/33/96/371823396.db2.gz SLMTVNNSNMHFGH-YUMQZZPRSA-N 0 3 287.316 1.395 10 5 CDBEHN C[C@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000330543019 373698732 /nfs/dbraw/zinc/69/87/32/373698732.db2.gz AQELQVCADHHUQB-NSHDSACASA-N 0 3 294.355 1.538 10 5 CDBEHN Cc1ccnc(NC[C@H](O)CN2CCCCC2)c1[N+](=O)[O-] ZINC000115515918 374410718 /nfs/dbraw/zinc/41/07/18/374410718.db2.gz PLRVYEYYQYNZJO-LBPRGKRZSA-N 0 3 294.355 1.557 10 5 CDBEHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)CCN1C ZINC000531883424 374513807 /nfs/dbraw/zinc/51/38/07/374513807.db2.gz XZLUUCUCTQQHFC-MNOVXSKESA-N 0 3 292.339 1.545 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNCC1([S@@](C)=O)CC1 ZINC000282212412 375071704 /nfs/dbraw/zinc/07/17/04/375071704.db2.gz DKJWNTKWRFCIEG-LJQANCHMSA-N 0 3 282.365 1.904 10 5 CDBEHN CN(CCn1cc([N+](=O)[O-])ccc1=O)CC1CC1 ZINC000131232819 375195452 /nfs/dbraw/zinc/19/54/52/375195452.db2.gz LJWHVNYTALETMG-UHFFFAOYSA-N 0 3 251.286 1.098 10 5 CDBEHN CC[C@H](NC[C@@](C)(O)C(C)=O)c1cccc([N+](=O)[O-])c1 ZINC000450674192 251397820 /nfs/dbraw/zinc/39/78/20/251397820.db2.gz BFKBBMLLCPDYET-UONOGXRCSA-N 0 3 280.324 1.976 10 5 CDBEHN C[C@H]1[C@@H](O)CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000451451652 390622084 /nfs/dbraw/zinc/62/20/84/390622084.db2.gz DGUPPEJLDXYIBA-AAEUAGOBSA-N 0 3 280.324 1.819 10 5 CDBEHN COC[C@H](O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544105 390631855 /nfs/dbraw/zinc/63/18/55/390631855.db2.gz DRWWXRODUGNXAL-UKRRQHHQSA-N 0 3 294.351 1.782 10 5 CDBEHN C[C@@H]1CC(C)(C)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000412038887 391064716 /nfs/dbraw/zinc/06/47/16/391064716.db2.gz JDUBYGAKZDQEEL-LLVKDONJSA-N 0 3 279.340 1.877 10 5 CDBEHN C[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000093334141 391680041 /nfs/dbraw/zinc/68/00/41/391680041.db2.gz KRTQOJIYHJIMFZ-FZMZJTMJSA-N 0 3 280.324 1.676 10 5 CDBEHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1CCO ZINC000418112297 392875376 /nfs/dbraw/zinc/87/53/76/392875376.db2.gz LJWFXUGXOAFCOQ-OLZOCXBDSA-N 0 3 293.367 1.482 10 5 CDBEHN C[C@@H]1CC[C@H](O)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000421022692 392927746 /nfs/dbraw/zinc/92/77/46/392927746.db2.gz QNIAZCLMJNPGCM-YPMHNXCESA-N 0 3 280.324 1.819 10 5 CDBEHN CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@H]1O ZINC000352661803 155333390 /nfs/dbraw/zinc/33/33/90/155333390.db2.gz YNANEQUDCCAITG-QWHCGFSZSA-N 0 3 250.298 1.940 10 5 CDBEHN CN(C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000347022594 153382354 /nfs/dbraw/zinc/38/23/54/153382354.db2.gz YQUZHPYXOLTWMX-GFCCVEGCSA-N 0 3 289.335 1.904 10 5 CDBEHN N[C@@H]1C[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000036234622 172532528 /nfs/dbraw/zinc/53/25/28/172532528.db2.gz WGIUZXZKNNMJBR-HTQZYQBOSA-N 0 3 255.661 1.078 10 5 CDBEHN CCN1CCC[C@@H](Nc2c([N+](=O)[O-])ncn2C)C1 ZINC000040503168 174299986 /nfs/dbraw/zinc/29/99/86/174299986.db2.gz OGXGQQDHEQVXMF-SECBINFHSA-N 0 3 253.306 1.225 10 5 CDBEHN CCNCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000044286600 175159300 /nfs/dbraw/zinc/15/93/00/175159300.db2.gz QHRAIIDWALVIOR-UHFFFAOYSA-N 0 3 253.258 1.151 10 5 CDBEHN CN1C[C@H](NCc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000077899920 177308535 /nfs/dbraw/zinc/30/85/35/177308535.db2.gz NOTXIVVHZKTPGB-LLVKDONJSA-N 0 3 263.297 1.305 10 5 CDBEHN CC(C)N[C@H]1CCN(c2cc([N+](=O)[O-])c(F)cc2F)C1=O ZINC000079777393 177556708 /nfs/dbraw/zinc/55/67/08/177556708.db2.gz QOKNJODRJJOFDW-JTQLQIEISA-N 0 3 299.277 1.976 10 5 CDBEHN O=[N+]([O-])c1cccc2ncnc(N3CCN4CCC[C@@H]4C3)c21 ZINC000408193146 275039698 /nfs/dbraw/zinc/03/96/98/275039698.db2.gz BHDGBBLCINYBAM-LLVKDONJSA-N 0 3 299.334 1.822 10 5 CDBEHN CCNCc1cnn(Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000054719296 520018474 /nfs/dbraw/zinc/01/84/74/520018474.db2.gz PNVJMZYMENZNLY-UHFFFAOYSA-N 0 3 260.297 1.949 10 5 CDBEHN CCNc1ccc(CN(C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000051840188 520300081 /nfs/dbraw/zinc/30/00/81/520300081.db2.gz MCZXSUIVXWUXMW-SNVBAGLBSA-N 0 3 267.329 1.839 10 5 CDBEHN CCCCNC(=O)COc1ccc([N+](=O)[O-])cc1CNC ZINC000049279895 520624412 /nfs/dbraw/zinc/62/44/12/520624412.db2.gz LRGISRVNMCIIHJ-UHFFFAOYSA-N 0 3 295.339 1.609 10 5 CDBEHN CC[C@@H](C)NC(=O)COc1cc(CNC)ccc1[N+](=O)[O-] ZINC000050516855 522169789 /nfs/dbraw/zinc/16/97/89/522169789.db2.gz CLXAAJQLKZLBBZ-SNVBAGLBSA-N 0 3 295.339 1.608 10 5 CDBEHN COCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000339244917 523601245 /nfs/dbraw/zinc/60/12/45/523601245.db2.gz KMRXIKBANXFJOB-UHFFFAOYSA-N 0 3 295.339 1.211 10 5 CDBEHN C[C@@H]1CNC[C@H](C)N1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000069133058 525098835 /nfs/dbraw/zinc/09/88/35/525098835.db2.gz QBNTYEPJXOUWEX-YFHYCDLPSA-N 0 3 289.335 1.817 10 5 CDBEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000069133246 525101407 /nfs/dbraw/zinc/10/14/07/525101407.db2.gz GOULKQDRJIZNAF-OCAPTIKFSA-N 0 3 299.277 1.695 10 5 CDBEHN Cc1cc(O[C@@H](C)C[C@](C)(N)C(N)=O)ccc1[N+](=O)[O-] ZINC000068651110 525381230 /nfs/dbraw/zinc/38/12/30/525381230.db2.gz ISSWLGSKNKFUOP-ZANVPECISA-N 0 3 281.312 1.263 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCC[C@@H]1O ZINC000052013536 525461070 /nfs/dbraw/zinc/46/10/70/525461070.db2.gz UECSYVJXCCJWTO-OLZOCXBDSA-N 0 3 280.324 1.997 10 5 CDBEHN Cc1c(O[C@H](C)C[C@](C)(N)C(N)=O)cccc1[N+](=O)[O-] ZINC000068651262 525883942 /nfs/dbraw/zinc/88/39/42/525883942.db2.gz RPFDPIMMWFKUMU-OQPBUACISA-N 0 3 281.312 1.263 10 5 CDBEHN N=C(N)c1cc(COc2ccccc2[N+](=O)[O-])ccn1 ZINC000068762608 526819745 /nfs/dbraw/zinc/81/97/45/526819745.db2.gz UFQGIYRPEFFBNW-UHFFFAOYSA-N 0 3 272.264 1.853 10 5 CDBEHN NCc1ccc([N+](=O)[O-])c(OC[C@H]2CCOC2)c1 ZINC000050516266 527258064 /nfs/dbraw/zinc/25/80/64/527258064.db2.gz VIXIKHWTCRSDTP-JTQLQIEISA-N 0 3 252.270 1.469 10 5 CDBEHN C[C@H](OC(=O)C1CCN(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000774016564 575848467 /nfs/dbraw/zinc/84/84/67/575848467.db2.gz SWRDVCPXQBXAPD-JOYOIKCWSA-N 0 3 292.291 1.677 10 5 CDBEHN Cc1c(CNC2(CCO)CCOCC2)cccc1[N+](=O)[O-] ZINC000764235483 575894544 /nfs/dbraw/zinc/89/45/44/575894544.db2.gz FVKZONUTJFFNGX-UHFFFAOYSA-N 0 3 294.351 1.924 10 5 CDBEHN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)n1 ZINC001636274609 1166666289 /nfs/dbraw/zinc/66/62/89/1166666289.db2.gz LPCGEZFQERUCMS-ZWNOBZJWSA-N 0 3 290.323 1.074 10 5 CDBEHN Cn1cc([N+](=O)[O-])c(NCCN2CCCCC2)n1 ZINC000231668077 1178173898 /nfs/dbraw/zinc/17/38/98/1178173898.db2.gz ITIMITWMILYLRE-UHFFFAOYSA-N 0 3 253.306 1.226 10 5 CDBEHN CC(COC(=O)CCc1nc(C(C)(C)C)no1)[N+](=O)[O-] ZINC000813111068 1163815850 /nfs/dbraw/zinc/81/58/50/1163815850.db2.gz BVNPNFZTSYTALH-MRVPVSSYSA-N 0 3 285.300 1.508 10 5 CDBEHN O=[N+]([O-])c1ccc(CNC[C@H]2CCC[C@@H]2O)c(F)c1 ZINC000311779386 754754882 /nfs/dbraw/zinc/75/48/82/754754882.db2.gz XBHXXELAJZUABS-MFKMUULPSA-N 0 3 268.288 1.985 10 5 CDBEHN C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923494474 754830606 /nfs/dbraw/zinc/83/06/06/754830606.db2.gz NFWGQMCNJDZVLN-MNOVXSKESA-N 0 3 279.340 1.717 10 5 CDBEHN Cc1ccc(/C=C\C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813101843 756534538 /nfs/dbraw/zinc/53/45/38/756534538.db2.gz JXAFUIOKXKBADB-OMMCCPJFSA-N 0 3 250.254 1.612 10 5 CDBEHN C[C@H](NC[C@H](O)CC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000872200543 757137250 /nfs/dbraw/zinc/13/72/50/757137250.db2.gz IOVHZELOUOYATE-GXFFZTMASA-N 0 3 282.340 1.767 10 5 CDBEHN Cc1nn(C)c(N2CCN(C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000866114228 757802414 /nfs/dbraw/zinc/80/24/14/757802414.db2.gz IRJZCKHFFWILOO-UHFFFAOYSA-N 0 3 281.360 1.557 10 5 CDBEHN CC(COC(=O)C[C@@H]1OCCc2ccccc21)[N+](=O)[O-] ZINC000813114261 758797302 /nfs/dbraw/zinc/79/73/02/758797302.db2.gz OMFRSDMEARCMGO-GWCFXTLKSA-N 0 3 279.292 1.899 10 5 CDBEHN CC(COC(=O)COC/C=C/c1ccccc1)[N+](=O)[O-] ZINC000813111845 758830365 /nfs/dbraw/zinc/83/03/65/758830365.db2.gz AUYXXKNBGAKKJC-FZKGZDJFSA-N 0 3 279.292 1.925 10 5 CDBEHN O=C(OCc1[nH]cnc1C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC001123041983 936107056 /nfs/dbraw/zinc/10/70/56/936107056.db2.gz BFDWSNQQKKVJMN-INEUFUBQSA-N 0 3 279.174 1.137 10 5 CDBEHN O=C(OCc1nc[nH]c1C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC001123041983 936107057 /nfs/dbraw/zinc/10/70/57/936107057.db2.gz BFDWSNQQKKVJMN-INEUFUBQSA-N 0 3 279.174 1.137 10 5 CDBEHN O=[N+]([O-])c1ccccc1/C=C/CNC1COCCOC1 ZINC000589938463 342517252 /nfs/dbraw/zinc/51/72/52/342517252.db2.gz SCZKAHSMZNPFDW-HWKANZROSA-N 0 3 278.308 1.613 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000590009512 342519227 /nfs/dbraw/zinc/51/92/27/342519227.db2.gz SHCATTMFOWUTTN-BXUZGUMPSA-N 0 3 291.351 1.739 10 5 CDBEHN Cc1cc(C(=O)N[C@@H](CN)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000401745296 342657080 /nfs/dbraw/zinc/65/70/80/342657080.db2.gz URDSZJWMEMCYST-VIFPVBQESA-N 0 3 291.229 1.523 10 5 CDBEHN O=C(NC[C@H]1CCN1C1CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000600472775 342215510 /nfs/dbraw/zinc/21/55/10/342215510.db2.gz QJYVLXBMFSKVBN-LLVKDONJSA-N 0 3 292.339 1.670 10 5 CDBEHN COCCN1CCC[C@H]1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000074747210 342303871 /nfs/dbraw/zinc/30/38/71/342303871.db2.gz OXMIRTYYPYKQCR-LBPRGKRZSA-N 0 3 294.355 1.821 10 5 CDBEHN Cc1noc(CN2CC[C@@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000595501111 343078366 /nfs/dbraw/zinc/07/83/66/343078366.db2.gz HNZBWEFVYHHYQQ-ZJUUUORDSA-N 0 3 266.301 1.027 10 5 CDBEHN CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H](CN)C(F)(F)F ZINC000596003814 343207355 /nfs/dbraw/zinc/20/73/55/343207355.db2.gz SKBDSOPGPHBZGB-SECBINFHSA-N 0 3 291.229 1.556 10 5 CDBEHN N[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[C@H]1F ZINC000595992294 343213174 /nfs/dbraw/zinc/21/31/74/343213174.db2.gz WDZRAKRIPIIDLE-NXEZZACHSA-N 0 3 285.250 1.245 10 5 CDBEHN N[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@H]1F ZINC000595908203 343189155 /nfs/dbraw/zinc/18/91/55/343189155.db2.gz ZTBURGBIHSZOTG-RKDXNWHRSA-N 0 3 259.306 1.527 10 5 CDBEHN CC(C)(C)N1CC[C@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596308731 343294023 /nfs/dbraw/zinc/29/40/23/343294023.db2.gz MILDEBWASMMZIL-VIFPVBQESA-N 0 3 279.344 1.279 10 5 CDBEHN COC(=O)CCCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000599352467 344034165 /nfs/dbraw/zinc/03/41/65/344034165.db2.gz BJSWAEXVARAPOI-UHFFFAOYSA-N 0 3 293.323 1.691 10 5 CDBEHN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H](C)N1 ZINC000598536289 343828403 /nfs/dbraw/zinc/82/84/03/343828403.db2.gz QPVVDUXVLANHEQ-DTWKUNHWSA-N 0 3 266.301 1.135 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1C[C@H](C(N)=O)C1 ZINC000599071336 343948757 /nfs/dbraw/zinc/94/87/57/343948757.db2.gz VCNKSSISJLXCLG-OPRDCNLKSA-N 0 3 293.323 1.518 10 5 CDBEHN Cc1ccc([C@H](C)N[C@@H]2CCOC[C@@H]2O)cc1[N+](=O)[O-] ZINC000599081499 343957092 /nfs/dbraw/zinc/95/70/92/343957092.db2.gz NJNSXJWWRSMATP-SUHUHFCYSA-N 0 3 280.324 1.704 10 5 CDBEHN CCc1nn(C)c(N[C@@H]2CCN(CC)C2)c1[N+](=O)[O-] ZINC000389407310 362284835 /nfs/dbraw/zinc/28/48/35/362284835.db2.gz MFHJFLHUDRNUAI-SECBINFHSA-N 0 3 267.333 1.397 10 5 CDBEHN Cc1c(CN(C)[C@H]2C[C@@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000599644622 344112349 /nfs/dbraw/zinc/11/23/49/344112349.db2.gz KWWMRPCHVIILHB-TXEJJXNPSA-N 0 3 277.324 1.599 10 5 CDBEHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000292856956 362514809 /nfs/dbraw/zinc/51/48/09/362514809.db2.gz AJSXLILOANGHIE-IJLUTSLNSA-N 0 3 280.324 1.675 10 5 CDBEHN C[C@@H]1C[C@H](Nc2ccncc2[N+](=O)[O-])CN1C1CC1 ZINC000361062460 357790672 /nfs/dbraw/zinc/79/06/72/357790672.db2.gz LYSHJOBGRQBLEZ-ZJUUUORDSA-N 0 3 262.313 1.449 10 5 CDBEHN CN(C)C[C@H]1CCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000610705310 357826721 /nfs/dbraw/zinc/82/67/21/357826721.db2.gz ABCRYDCQCDORDU-SECBINFHSA-N 0 3 295.368 1.834 10 5 CDBEHN O=[N+]([O-])c1cccc(CN2CC[C@H]3OCCN[C@H]3C2)c1 ZINC000404065938 373301907 /nfs/dbraw/zinc/30/19/07/373301907.db2.gz BCELETPXQCCTNY-UONOGXRCSA-N 0 3 277.324 1.158 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000266091964 373822896 /nfs/dbraw/zinc/82/28/96/373822896.db2.gz IXWRRGRKFPPIKB-GFCCVEGCSA-N 0 3 289.335 1.823 10 5 CDBEHN Cc1cc(OC[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000080745181 374478444 /nfs/dbraw/zinc/47/84/44/374478444.db2.gz CJVXZNHUMXHUAM-NSHDSACASA-N 0 3 252.270 1.270 10 5 CDBEHN CN(C(=O)c1ccc([N+](=O)[O-])cn1)C1CCN(C)CC1 ZINC000531881858 374513464 /nfs/dbraw/zinc/51/34/64/374513464.db2.gz NXRUYSXJVURWCZ-UHFFFAOYSA-N 0 3 278.312 1.156 10 5 CDBEHN C[C@@H]1NC(=O)CC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000282196092 375071841 /nfs/dbraw/zinc/07/18/41/375071841.db2.gz CGFRWMDNFUUWBF-JOYOIKCWSA-N 0 3 263.297 1.352 10 5 CDBEHN O=[N+]([O-])c1ccc(CCN2CC[C@@](O)(C(F)F)C2)cc1 ZINC000451426005 390619322 /nfs/dbraw/zinc/61/93/22/390619322.db2.gz HSQWSZYIXYLICA-ZDUSSCGKSA-N 0 3 286.278 1.839 10 5 CDBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000247466052 390888670 /nfs/dbraw/zinc/88/86/70/390888670.db2.gz RGRGAYRDIBSPSE-UWVGGRQHSA-N 0 3 279.296 1.497 10 5 CDBEHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)CCN1C ZINC000408227050 390989351 /nfs/dbraw/zinc/98/93/51/390989351.db2.gz QPXPTMHJFRCNLN-ZJUUUORDSA-N 0 3 280.328 1.478 10 5 CDBEHN COC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000452080219 391005442 /nfs/dbraw/zinc/00/54/42/391005442.db2.gz IQANROYYWKFIND-GFCCVEGCSA-N 0 3 282.344 1.540 10 5 CDBEHN CO[C@@H](C)[C@H](C)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000191711470 130282885 /nfs/dbraw/zinc/28/28/85/130282885.db2.gz CZHLPLSHCPCMKH-AXFHLTTASA-N 0 3 295.339 1.935 10 5 CDBEHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ccccc1[N+](=O)[O-] ZINC000069772854 392000762 /nfs/dbraw/zinc/00/07/62/392000762.db2.gz VVTHBEQTLIRGBN-ZYHUDNBSSA-N 0 3 277.324 1.681 10 5 CDBEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000175027621 392017676 /nfs/dbraw/zinc/01/76/76/392017676.db2.gz HHWJOKZRLIJOBR-WDEREUQCSA-N 0 3 293.323 1.887 10 5 CDBEHN C[C@H]1CCN(CC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000548905513 392515254 /nfs/dbraw/zinc/51/52/54/392515254.db2.gz UELTXYBQIHVWDD-LBPRGKRZSA-N 0 3 291.351 1.895 10 5 CDBEHN CC1=C[C@H](C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000430276031 393094734 /nfs/dbraw/zinc/09/47/34/393094734.db2.gz CCSAUNXMMURDCV-GWCFXTLKSA-N 0 3 280.328 1.050 10 5 CDBEHN O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H](N2CCCC2)C1 ZINC000363871272 159348914 /nfs/dbraw/zinc/34/89/14/159348914.db2.gz BDGASSRPVMMSJB-GFCCVEGCSA-N 0 3 290.323 1.300 10 5 CDBEHN C[C@@H](NCCOCCO)c1ccccc1[N+](=O)[O-] ZINC000020526272 171239337 /nfs/dbraw/zinc/23/93/37/171239337.db2.gz GFSHQXDZUFADAY-SNVBAGLBSA-N 0 3 254.286 1.254 10 5 CDBEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000035231914 172071853 /nfs/dbraw/zinc/07/18/53/172071853.db2.gz NCCAUSZFESISCS-GZMMTYOYSA-N 0 3 251.286 1.907 10 5 CDBEHN Cc1nn(C)c(NC[C@H](C)N2CCCCC2)c1[N+](=O)[O-] ZINC000038029285 174019216 /nfs/dbraw/zinc/01/92/16/174019216.db2.gz WJSIQAHXMMAPMF-JTQLQIEISA-N 0 3 281.360 1.923 10 5 CDBEHN N[C@H](c1csc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300108 175000921 /nfs/dbraw/zinc/00/09/21/175000921.db2.gz DAVHBSAVVOOJNB-RCOVLWMOSA-N 0 3 276.339 1.091 10 5 CDBEHN CCCNCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000044288204 175159608 /nfs/dbraw/zinc/15/96/08/175159608.db2.gz MULLCZYJRDQFPJ-UHFFFAOYSA-N 0 3 251.286 1.841 10 5 CDBEHN O=C1CC[C@@H](CNCc2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000076760389 177086247 /nfs/dbraw/zinc/08/62/47/177086247.db2.gz JCSDQWVISPZXDX-VIFPVBQESA-N 0 3 283.715 1.616 10 5 CDBEHN C[C@@H](N[C@@H](C)CC(N)=O)c1ccccc1[N+](=O)[O-] ZINC000161360923 278362652 /nfs/dbraw/zinc/36/26/52/278362652.db2.gz QIWXXRZBTJIFFU-DTWKUNHWSA-N 0 3 251.286 1.509 10 5 CDBEHN C[C@H](N[C@@H]1CCC(=O)N(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000084063327 279502722 /nfs/dbraw/zinc/50/27/22/279502722.db2.gz RBDXIBJWSYZWFC-CMPLNLGQSA-N 0 3 277.324 1.866 10 5 CDBEHN CC(C)[C@H](CN(C)C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000049219104 519815006 /nfs/dbraw/zinc/81/50/06/519815006.db2.gz SFJKQBAJNUJKSG-LBPRGKRZSA-N 0 3 294.355 1.692 10 5 CDBEHN CCCN[C@@H](CCOc1cccc([N+](=O)[O-])c1C)C(N)=O ZINC000062540435 520003632 /nfs/dbraw/zinc/00/36/32/520003632.db2.gz SEKWHBOWNOCEGC-NSHDSACASA-N 0 3 295.339 1.526 10 5 CDBEHN CCN[C@@H](CCOc1ccc(C)cc1[N+](=O)[O-])C(N)=O ZINC000062541807 520093292 /nfs/dbraw/zinc/09/32/92/520093292.db2.gz KXXBLAXFRCXPHS-JTQLQIEISA-N 0 3 281.312 1.136 10 5 CDBEHN CCN[C@H](CCOc1ccc([N+](=O)[O-])c(C)c1)C(N)=O ZINC000062539972 520192738 /nfs/dbraw/zinc/19/27/38/520192738.db2.gz UIBBPQRCCAHZQR-LLVKDONJSA-N 0 3 281.312 1.136 10 5 CDBEHN COCC[C@@H](N)C(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000052792102 521826719 /nfs/dbraw/zinc/82/67/19/521826719.db2.gz SDMUINIGOSPWHP-MRVPVSSYSA-N 0 3 287.703 1.551 10 5 CDBEHN COc1ccc(C(=O)N2[C@H](C)CNC[C@H]2C)cc1[N+](=O)[O-] ZINC000069132553 523677439 /nfs/dbraw/zinc/67/74/39/523677439.db2.gz CJOZYVGQLGAXFJ-NXEZZACHSA-N 0 3 293.323 1.426 10 5 CDBEHN COCCNCc1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000062730707 523952047 /nfs/dbraw/zinc/95/20/47/523952047.db2.gz AVJIMEDEVWMUNR-UHFFFAOYSA-N 0 3 276.239 1.932 10 5 CDBEHN O=[N+]([O-])c1ccc(COC2CNC2)c(Br)c1 ZINC000062809919 527352965 /nfs/dbraw/zinc/35/29/65/527352965.db2.gz WAYVTBVCOJIULI-UHFFFAOYSA-N 0 3 287.113 1.846 10 5 CDBEHN CC(COC(=O)COC/C=C/c1ccccc1)[N+](=O)[O-] ZINC000813111848 617346519 /nfs/dbraw/zinc/34/65/19/617346519.db2.gz AUYXXKNBGAKKJC-ZCRIDZFUSA-N 0 3 279.292 1.925 10 5 CDBEHN CC(COC(=O)[C@H](F)Cc1ccccc1)[N+](=O)[O-] ZINC000813112184 617346713 /nfs/dbraw/zinc/34/67/13/617346713.db2.gz DCWJMUHEDDLZNK-MWLCHTKSSA-N 0 3 255.245 1.776 10 5 CDBEHN COCCOc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813112523 617346970 /nfs/dbraw/zinc/34/69/70/617346970.db2.gz HRWKLZUHMUMIKC-NSHDSACASA-N 0 3 297.307 1.463 10 5 CDBEHN C[C@H](C[N+](=O)[O-])OC(=O)C1CCN(C2CC2)CC1 ZINC000814045949 770313443 /nfs/dbraw/zinc/31/34/43/770313443.db2.gz DDIVUDNMBXCOOJ-SECBINFHSA-N 0 3 256.302 1.069 10 5 CDBEHN CCCC(=O)N1CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813113940 769894256 /nfs/dbraw/zinc/89/42/56/769894256.db2.gz WQYCQLJPCSLVPA-WDEREUQCSA-N 0 3 286.328 1.234 10 5 CDBEHN CO[C@@](C)(C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813111995 771363791 /nfs/dbraw/zinc/36/37/91/771363791.db2.gz MHEUJALXBBBFNG-ZWNOBZJWSA-N 0 3 267.281 1.757 10 5 CDBEHN Cc1cc(C)n(CCC(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813112649 771815847 /nfs/dbraw/zinc/81/58/47/771815847.db2.gz SCQBXKQETPYWKF-JTQLQIEISA-N 0 3 255.274 1.098 10 5 CDBEHN CCN1CC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000712596527 772222730 /nfs/dbraw/zinc/22/27/30/772222730.db2.gz UYLFWNZSGPZSBU-GFCCVEGCSA-N 0 3 267.304 1.918 10 5 CDBEHN O=[N+]([O-])c1ccc(Cl)cc1OC[C@@H]1CNCCO1 ZINC000080745245 772316308 /nfs/dbraw/zinc/31/63/08/772316308.db2.gz BSHXRIUETQGYFI-VIFPVBQESA-N 0 3 272.688 1.615 10 5 CDBEHN C[C@@H]1CC[C@H](CO)N1Cc1ccccc1[N+](=O)[O-] ZINC000880443936 772573119 /nfs/dbraw/zinc/57/31/19/772573119.db2.gz OBJRZGLBTFLDJO-ZYHUDNBSSA-N 0 3 250.298 1.940 10 5 CDBEHN C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000928446719 773117127 /nfs/dbraw/zinc/11/71/27/773117127.db2.gz YBHTZYDMVCOXPA-PELKAZGASA-N 0 3 281.287 1.556 10 5 CDBEHN CC(=O)[C@@H](C)CCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813113188 773704258 /nfs/dbraw/zinc/70/42/58/773704258.db2.gz OHASSNPIBDUKTK-UWVGGRQHSA-N 0 3 259.302 1.980 10 5 CDBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001273791105 925911033 /nfs/dbraw/zinc/91/10/33/925911033.db2.gz LEFYWELDVDBQGQ-UPHRSURJSA-N 0 3 289.335 1.767 10 5 CDBEHN C[C@H](NCC[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC001341079295 963268427 /nfs/dbraw/zinc/26/84/27/963268427.db2.gz TZMMWEFHSLMVMZ-GBIKHYSHSA-N 0 3 250.298 1.806 10 5 CDBEHN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001443509067 965499103 /nfs/dbraw/zinc/49/91/03/965499103.db2.gz MKOSXDWBPHHDRJ-UHFFFAOYSA-N 0 3 292.339 1.345 10 5 CDBEHN CCN1CCN(CCNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601103822 342466105 /nfs/dbraw/zinc/46/61/05/342466105.db2.gz INKSKCWMXNJVDC-UHFFFAOYSA-N 0 3 297.334 1.178 10 5 CDBEHN CN1CC[C@@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401277036 342485297 /nfs/dbraw/zinc/48/52/97/342485297.db2.gz WNUHZSHKYYCPQD-QMMMGPOBSA-N 0 3 254.265 1.493 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000590446440 342546837 /nfs/dbraw/zinc/54/68/37/342546837.db2.gz VFTVNBCAWCRZHI-MFKMUULPSA-N 0 3 275.308 1.371 10 5 CDBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594025609 342867475 /nfs/dbraw/zinc/86/74/75/342867475.db2.gz PDIMPRYZAVJSSR-BYCMXARLSA-N 0 3 291.351 1.407 10 5 CDBEHN CO[C@](C)(CO)CNCc1ccc([N+](=O)[O-])cc1C ZINC000594508568 342914709 /nfs/dbraw/zinc/91/47/09/342914709.db2.gz DCQWEDZYGWQKEC-ZDUSSCGKSA-N 0 3 268.313 1.390 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)[C@@H](C)CO ZINC000450741361 362014904 /nfs/dbraw/zinc/01/49/04/362014904.db2.gz YQXRNNCBEIXYHU-VHSXEESVSA-N 0 3 268.313 1.710 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN1CC[C@@H](Cn2ccnn2)C1 ZINC000595608524 343107940 /nfs/dbraw/zinc/10/79/40/343107940.db2.gz RWOUZXFDBHXQFZ-GFCCVEGCSA-N 0 3 287.323 1.708 10 5 CDBEHN O=[N+]([O-])c1cccc(OCCN2CC[C@@H]3COC[C@H]3C2)c1 ZINC000595835101 343170418 /nfs/dbraw/zinc/17/04/18/343170418.db2.gz ULAZOKHMEOSAIE-CHWSQXEVSA-N 0 3 292.335 1.942 10 5 CDBEHN CN1CCC[C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000091483000 342404534 /nfs/dbraw/zinc/40/45/34/342404534.db2.gz AUANSRNHRGAYDF-SNVBAGLBSA-N 0 3 290.327 1.391 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN(C)C1(CO)CC1 ZINC000597255573 343499909 /nfs/dbraw/zinc/49/99/09/343499909.db2.gz PBUUHNZYOYSUFT-UHFFFAOYSA-N 0 3 250.298 1.860 10 5 CDBEHN CCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CCN(C)C1 ZINC000597945928 343675476 /nfs/dbraw/zinc/67/54/76/343675476.db2.gz KGRKSZZEOQCKAP-SNVBAGLBSA-N 0 3 292.339 1.343 10 5 CDBEHN CCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCN(CC)C1 ZINC000598043854 343704104 /nfs/dbraw/zinc/70/41/04/343704104.db2.gz WRAXDNPGUJYLRB-JTQLQIEISA-N 0 3 281.312 1.744 10 5 CDBEHN CN1CCOC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000599004223 343937328 /nfs/dbraw/zinc/93/73/28/343937328.db2.gz QXHYHPDMBZSVRS-LBPRGKRZSA-N 0 3 283.303 1.154 10 5 CDBEHN COc1ccc(CNC[C@@H](O)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000598991382 343935944 /nfs/dbraw/zinc/93/59/44/343935944.db2.gz YECPLZMRFODPNV-TZMCWYRMSA-N 0 3 296.323 1.233 10 5 CDBEHN CN1CCC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000604198885 344865422 /nfs/dbraw/zinc/86/54/22/344865422.db2.gz JDYGTMJZZYBTGM-NSHDSACASA-N 0 3 293.323 1.184 10 5 CDBEHN C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@H](C)CN1 ZINC000086471374 345310584 /nfs/dbraw/zinc/31/05/84/345310584.db2.gz AZZCWIKAGVRQLU-NXEZZACHSA-N 0 3 287.323 1.725 10 5 CDBEHN O=[N+]([O-])c1ccc(CNC[C@H]2CCC[C@H]2O)cc1 ZINC000089162865 346159076 /nfs/dbraw/zinc/15/90/76/346159076.db2.gz WKFLAXVNJWFUBJ-DGCLKSJQSA-N 0 3 250.298 1.845 10 5 CDBEHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1cccnc1[N+](=O)[O-] ZINC000610709952 346368017 /nfs/dbraw/zinc/36/80/17/346368017.db2.gz QAULDDGHTILXSJ-BXKDBHETSA-N 0 3 262.313 1.884 10 5 CDBEHN Cn1c(C(=O)Nc2ccccc2CN)ccc1[N+](=O)[O-] ZINC000085810062 179177685 /nfs/dbraw/zinc/17/76/85/179177685.db2.gz VSISKJJSGFQDGZ-UHFFFAOYSA-N 0 3 274.280 1.644 10 5 CDBEHN CC[C@H](NC[C@@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000091667204 180223241 /nfs/dbraw/zinc/22/32/41/180223241.db2.gz MVZAFEJZTQFGBE-CABCVRRESA-N 0 3 293.367 1.966 10 5 CDBEHN C[C@H](CO)[C@H](C)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000167095057 362976506 /nfs/dbraw/zinc/97/65/06/362976506.db2.gz VLPIHAQHLWIQKT-BDAKNGLRSA-N 0 3 283.284 1.610 10 5 CDBEHN CN(Cc1ccccc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000123172128 187075820 /nfs/dbraw/zinc/07/58/20/187075820.db2.gz JELKBWVZXWZSDQ-UHFFFAOYSA-N 0 3 280.324 1.568 10 5 CDBEHN COC[C@@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292110063 198166466 /nfs/dbraw/zinc/16/64/66/198166466.db2.gz IXWFBAQHAZNCHW-JTQLQIEISA-N 0 3 268.313 1.427 10 5 CDBEHN C[C@@H]1OCC[C@H]1N(CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000361558855 358319656 /nfs/dbraw/zinc/31/96/56/358319656.db2.gz YVKPJUHEJCRPQN-SWLSCSKDSA-N 0 3 294.351 1.609 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C)[C@H](C)CO ZINC000450732224 358995881 /nfs/dbraw/zinc/99/58/81/358995881.db2.gz FJAUVWGZYLBCNB-MNOVXSKESA-N 0 3 295.339 1.448 10 5 CDBEHN CN(CCc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000348347586 367206870 /nfs/dbraw/zinc/20/68/70/367206870.db2.gz KHQIRLFWKFWXMB-ZDUSSCGKSA-N 0 3 250.298 1.858 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN[C@@H](C1CC1)[C@H]1CNCCO1 ZINC000422945815 374364256 /nfs/dbraw/zinc/36/42/56/374364256.db2.gz NZNKMDMHKNBNSE-CABCVRRESA-N 0 3 291.351 1.451 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN[C@H](C1CC1)[C@@H]1CNCCO1 ZINC000422945818 374364506 /nfs/dbraw/zinc/36/45/06/374364506.db2.gz NZNKMDMHKNBNSE-LSDHHAIUSA-N 0 3 291.351 1.451 10 5 CDBEHN CO[C@H]1C[C@H](CO)N(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000344716246 375300647 /nfs/dbraw/zinc/30/06/47/375300647.db2.gz OCVPGEJPNDKRHL-KGLIPLIRSA-N 0 3 280.324 1.219 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCN1C ZINC000277646051 379573069 /nfs/dbraw/zinc/57/30/69/379573069.db2.gz UMRDSZBITOBVPI-NSHDSACASA-N 0 3 293.323 1.427 10 5 CDBEHN Cc1nc(N[C@@H]2CCN(C(C)C)C2)ncc1[N+](=O)[O-] ZINC000450274752 251205044 /nfs/dbraw/zinc/20/50/44/251205044.db2.gz CICQTSLHXCYRJF-SNVBAGLBSA-N 0 3 265.317 1.588 10 5 CDBEHN O=[N+]([O-])c1cccc(CN[C@H]2CNCCC2(F)F)c1 ZINC000414993514 391236978 /nfs/dbraw/zinc/23/69/78/391236978.db2.gz CLLPSUKOYYQEOY-NSHDSACASA-N 0 3 271.267 1.682 10 5 CDBEHN CNC(=O)[C@@H](NCCOc1cccc([N+](=O)[O-])c1)C(C)C ZINC000183649591 391282091 /nfs/dbraw/zinc/28/20/91/391282091.db2.gz SXZXNFFAHRQOKD-ZDUSSCGKSA-N 0 3 295.339 1.334 10 5 CDBEHN Cc1cc([C@@H]2NC(=O)CCC2[N+](=O)[O-])c(C)n1C ZINC000238855880 392955200 /nfs/dbraw/zinc/95/52/00/392955200.db2.gz TUYCFZQTNREGEH-PWSUYJOCSA-N 0 3 251.286 1.238 10 5 CDBEHN Cc1cc([C@H]2NC(=O)CCC2[N+](=O)[O-])c(C)n1C ZINC000238855878 392954565 /nfs/dbraw/zinc/95/45/65/392954565.db2.gz TUYCFZQTNREGEH-CMPLNLGQSA-N 0 3 251.286 1.238 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN1CC[C@@H](c2nnc[nH]2)C1 ZINC000425350096 393020684 /nfs/dbraw/zinc/02/06/84/393020684.db2.gz DZVSYEKQXVDUSU-LLVKDONJSA-N 0 3 273.296 1.702 10 5 CDBEHN COCCNCCNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000215527452 140161686 /nfs/dbraw/zinc/16/16/86/140161686.db2.gz OJVLOFYXSPXBQF-UHFFFAOYSA-N 0 3 287.291 1.390 10 5 CDBEHN NCc1cc([N+](=O)[O-])ccc1OC[C@H]1CCCO1 ZINC000035414577 172188395 /nfs/dbraw/zinc/18/83/95/172188395.db2.gz UFBCGKZVFYCOEK-LLVKDONJSA-N 0 3 252.270 1.611 10 5 CDBEHN COc1ccc(NC(=O)CNC2CC2)c([N+](=O)[O-])c1 ZINC000037386724 173169676 /nfs/dbraw/zinc/16/96/76/173169676.db2.gz CPAIGYBOHJKXJV-UHFFFAOYSA-N 0 3 265.269 1.294 10 5 CDBEHN N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000043299926 175000554 /nfs/dbraw/zinc/00/05/54/175000554.db2.gz RTTDVSHBSZKPOP-KCJUWKMLSA-N 0 3 270.310 1.029 10 5 CDBEHN CN[C@@H]1CCN(c2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000071036912 176025882 /nfs/dbraw/zinc/02/58/82/176025882.db2.gz GHNHGJRZTMKEHR-SECBINFHSA-N 0 3 269.688 1.573 10 5 CDBEHN C[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000518042428 260338256 /nfs/dbraw/zinc/33/82/56/260338256.db2.gz LRWKVPDCYOCERV-LLVKDONJSA-N 0 3 294.355 1.538 10 5 CDBEHN CC1(C)CN(c2cccc(F)c2[N+](=O)[O-])CCN1 ZINC000212748350 278343770 /nfs/dbraw/zinc/34/37/70/278343770.db2.gz CTZLJMNFLOIMGP-UHFFFAOYSA-N 0 3 253.277 1.922 10 5 CDBEHN C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)CCN1C ZINC000525029523 281115019 /nfs/dbraw/zinc/11/50/19/281115019.db2.gz HEPLYJAIFZNUNL-GHMZBOCLSA-N 0 3 294.355 1.488 10 5 CDBEHN CC(C)CNCc1nnnn1-c1cc([N+](=O)[O-])ccc1F ZINC000054745086 519748967 /nfs/dbraw/zinc/74/89/67/519748967.db2.gz BVECKDSGFKYFOL-UHFFFAOYSA-N 0 3 294.290 1.455 10 5 CDBEHN CC(C)[C@H](CN(C)C)Nc1ccncc1[N+](=O)[O-] ZINC000049219018 519814978 /nfs/dbraw/zinc/81/49/78/519814978.db2.gz MTVRFJDPPQDXEU-NSHDSACASA-N 0 3 252.318 1.988 10 5 CDBEHN CCNC(C)(C)C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000061288432 519903456 /nfs/dbraw/zinc/90/34/56/519903456.db2.gz DCRSBNLLHDHXFP-UHFFFAOYSA-N 0 3 265.313 1.946 10 5 CDBEHN CCOc1ccc(NC(=O)C(C)(C)NC)c([N+](=O)[O-])c1 ZINC000061316302 521052050 /nfs/dbraw/zinc/05/20/50/521052050.db2.gz GLQPGEKXSUJRTK-UHFFFAOYSA-N 0 3 281.312 1.930 10 5 CDBEHN COC[C@@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000062727295 522395241 /nfs/dbraw/zinc/39/52/41/522395241.db2.gz ODLRZMLEOFPSQV-LBPRGKRZSA-N 0 3 268.313 1.076 10 5 CDBEHN COC[C@@H](O)COc1ccc(CNC(C)C)cc1[N+](=O)[O-] ZINC000069053442 522426750 /nfs/dbraw/zinc/42/67/50/522426750.db2.gz KWXYYGIUTTXNEB-GFCCVEGCSA-N 0 3 298.339 1.479 10 5 CDBEHN CN[C@](C)(C[C@@H](C)Oc1ccc([N+](=O)[O-])c(C)c1)C(N)=O ZINC000068651127 522520245 /nfs/dbraw/zinc/52/02/45/522520245.db2.gz QUIVTHQTGROGDI-QMTHXVAHSA-N 0 3 295.339 1.524 10 5 CDBEHN CCn1ccnc1COc1ccc(CN)cc1[N+](=O)[O-] ZINC000054743463 523542919 /nfs/dbraw/zinc/54/29/19/523542919.db2.gz RCCLSXDZVSRVDA-UHFFFAOYSA-N 0 3 276.296 1.849 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccnc(NN)c1 ZINC000051118100 525570589 /nfs/dbraw/zinc/57/05/89/525570589.db2.gz GEWFPHZSGGBGRS-UHFFFAOYSA-N 0 3 287.279 1.836 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc[nH]c(=NN)c1 ZINC000051118100 525570594 /nfs/dbraw/zinc/57/05/94/525570594.db2.gz GEWFPHZSGGBGRS-UHFFFAOYSA-N 0 3 287.279 1.836 10 5 CDBEHN Cc1nccn1CCOc1ccc([N+](=O)[O-])cc1CN ZINC000049329514 527434716 /nfs/dbraw/zinc/43/47/16/527434716.db2.gz JMBCDCZSDOAKKQ-UHFFFAOYSA-N 0 3 276.296 1.637 10 5 CDBEHN C[C@H](CO)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766895912 576143851 /nfs/dbraw/zinc/14/38/51/576143851.db2.gz KGHIZKBYRPHHFN-LBPRGKRZSA-N 0 3 279.340 1.345 10 5 CDBEHN COC1CCC(CC(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813110411 617345679 /nfs/dbraw/zinc/34/56/79/617345679.db2.gz AAEXWGJGWVUHIW-WHXUTIOJSA-N 0 3 259.302 1.790 10 5 CDBEHN CCCOc1cccnc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813111753 617346379 /nfs/dbraw/zinc/34/63/79/617346379.db2.gz WSDMCSLNRMEBEX-VIFPVBQESA-N 0 3 268.269 1.692 10 5 CDBEHN CC[C@H](C)n1nc(C(=O)OCC(C)[N+](=O)[O-])cc1C ZINC000813113296 617347022 /nfs/dbraw/zinc/34/70/22/617347022.db2.gz PDADVJBGHFDQLV-WPRPVWTQSA-N 0 3 269.301 1.985 10 5 CDBEHN C[C@H]1[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000905649098 626898894 /nfs/dbraw/zinc/89/88/94/626898894.db2.gz MDLOGKLPIDFPQN-JOYOIKCWSA-N 0 3 294.380 1.974 10 5 CDBEHN CN1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001639135515 1166902997 /nfs/dbraw/zinc/90/29/97/1166902997.db2.gz ISFGDGJDAUULBE-ZDUSSCGKSA-N 0 3 291.351 1.594 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CC[C@H](O)CC23CCC3)n1 ZINC001618676372 1165640873 /nfs/dbraw/zinc/64/08/73/1165640873.db2.gz CBPYYZFPUOOCRC-NSHDSACASA-N 0 3 280.328 1.171 10 5 CDBEHN C[C@H]1[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000928456818 773927291 /nfs/dbraw/zinc/92/72/91/773927291.db2.gz SKXBSLDBLALBPU-JQWIXIFHSA-N 0 3 277.324 1.346 10 5 CDBEHN CCc1nn(C)c(N[C@@H]2CCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000719625939 774874632 /nfs/dbraw/zinc/87/46/32/774874632.db2.gz QBEZEGSSCXYCET-WCBMZHEXSA-N 0 3 267.333 1.395 10 5 CDBEHN CC(COC(=O)c1cc(F)cc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813114690 775620862 /nfs/dbraw/zinc/62/08/62/775620862.db2.gz FZWXKMPHIXTGAM-ZCFIWIBFSA-N 0 3 272.188 1.556 10 5 CDBEHN CCN1CCO[C@@H](CNCc2cccc([N+](=O)[O-])c2C)C1 ZINC000134617146 775676089 /nfs/dbraw/zinc/67/60/89/775676089.db2.gz BNZTWPBLPGRZPW-AWEZNQCLSA-N 0 3 293.367 1.714 10 5 CDBEHN CC(COC(=O)CCc1nc2ccccc2o1)[N+](=O)[O-] ZINC000813110673 776379015 /nfs/dbraw/zinc/37/90/15/776379015.db2.gz HGCZXQRJVPLLIY-VIFPVBQESA-N 0 3 278.264 1.969 10 5 CDBEHN CC(COC(=O)[C@@H]1CCN(c2ccccc2F)C1)[N+](=O)[O-] ZINC000813114257 776395380 /nfs/dbraw/zinc/39/53/80/776395380.db2.gz OLUNZDKHWOVCJT-WDEREUQCSA-N 0 3 296.298 1.860 10 5 CDBEHN Cn1nccc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000118906360 777450188 /nfs/dbraw/zinc/45/01/88/777450188.db2.gz NRVFJYLZTUYXRH-CYBMUJFWSA-N 0 3 276.296 1.152 10 5 CDBEHN COc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1F ZINC000813108964 777718027 /nfs/dbraw/zinc/71/80/27/777718027.db2.gz CWWWIMPXSMFWLP-SSDOTTSWSA-N 0 3 257.217 1.656 10 5 CDBEHN COc1ccc(COCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813105543 778312641 /nfs/dbraw/zinc/31/26/41/778312641.db2.gz OFQUCTXWZAZIAC-JTQLQIEISA-N 0 3 283.280 1.420 10 5 CDBEHN Cc1oc(C2CC2)nc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813115079 778867692 /nfs/dbraw/zinc/86/76/92/778867692.db2.gz KCRJWIXOLKUXRP-LURJTMIESA-N 0 3 254.242 1.682 10 5 CDBEHN Cc1ccc(CNC(=O)[C@H](N)CC(C)C)cc1[N+](=O)[O-] ZINC000870963271 779084133 /nfs/dbraw/zinc/08/41/33/779084133.db2.gz XUQATFMNPIVWGW-GFCCVEGCSA-N 0 3 279.340 1.893 10 5 CDBEHN CCn1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)CN2CCCC2)n1 ZINC000845662624 779178315 /nfs/dbraw/zinc/17/83/15/779178315.db2.gz AJDWUMNHBHQWAO-JTQLQIEISA-N 0 3 296.327 1.452 10 5 CDBEHN CC(COC(=O)Cc1cn(C)c2ccccc12)[N+](=O)[O-] ZINC000813104983 779630015 /nfs/dbraw/zinc/63/00/15/779630015.db2.gz ITGDWCBVCXISMI-JTQLQIEISA-N 0 3 276.292 1.929 10 5 CDBEHN CC(COC(=O)CCc1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813112239 780002142 /nfs/dbraw/zinc/00/21/42/780002142.db2.gz OHXROZXEOYIBQS-SECBINFHSA-N 0 3 282.252 1.736 10 5 CDBEHN Cc1c(CN2C[C@H](CCO)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC001176964290 914403237 /nfs/dbraw/zinc/40/32/37/914403237.db2.gz AFLWSLSEXBLVNT-KBPBESRZSA-N 0 3 294.351 1.326 10 5 CDBEHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C(C)(C)O ZINC001473465789 970798304 /nfs/dbraw/zinc/79/83/04/970798304.db2.gz WBYMQHLWKLSGBT-CYBMUJFWSA-N 0 3 282.340 1.201 10 5 CDBEHN O=[N+]([O-])c1ccc([C@@H](O)CN2C[C@@H](O)C3(CC3)C2)cc1 ZINC001325881174 954121934 /nfs/dbraw/zinc/12/19/34/954121934.db2.gz PTPOINZJTQTMES-QWHCGFSZSA-N 0 3 278.308 1.085 10 5 CDBEHN C/C(=C/C(=O)NOCCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001334407137 959096236 /nfs/dbraw/zinc/09/62/36/959096236.db2.gz DPNJLKQDGWRZNR-KHPPLWFESA-N 0 3 293.323 1.608 10 5 CDBEHN O=C(NCc1ccc2c[nH+]cn2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC001468834819 970196605 /nfs/dbraw/zinc/19/66/05/970196605.db2.gz GRQKVFYLOSZNBC-UHFFFAOYSA-N 0 3 285.263 1.501 10 5 CDBEHN Cc1c(NC(=O)C2(N)CCOCC2)cccc1[N+](=O)[O-] ZINC000132116039 342069480 /nfs/dbraw/zinc/06/94/80/342069480.db2.gz SBRXPSUCGUKMND-UHFFFAOYSA-N 0 3 279.296 1.350 10 5 CDBEHN Cn1ccnc1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591256093 342622268 /nfs/dbraw/zinc/62/22/68/342622268.db2.gz DTRADCNDQYYRDI-UHFFFAOYSA-N 0 3 290.279 1.712 10 5 CDBEHN C[C@H]1CCN(CC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000594246155 342882114 /nfs/dbraw/zinc/88/21/14/342882114.db2.gz MWHGBGZYWRFMDG-LBPRGKRZSA-N 0 3 291.351 1.595 10 5 CDBEHN CO[C@@](C)(CO)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594510853 342912652 /nfs/dbraw/zinc/91/26/52/342912652.db2.gz LWWGZIDUBKODKA-GXTWGEPZSA-N 0 3 280.324 1.569 10 5 CDBEHN CO[C@@](C)(CO)CNCc1ccc([N+](=O)[O-])cc1 ZINC000594509534 342914961 /nfs/dbraw/zinc/91/49/61/342914961.db2.gz JHSMKIFCIWBVDO-GFCCVEGCSA-N 0 3 254.286 1.082 10 5 CDBEHN Cc1c(CN2CCN3C[C@H](O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000405743334 539100290 /nfs/dbraw/zinc/10/02/90/539100290.db2.gz ZUQGMRQCOGHEGJ-UONOGXRCSA-N 0 3 291.351 1.154 10 5 CDBEHN O=[N+]([O-])c1cccc(CN[C@H](CO)C2CCC2)c1 ZINC000594955528 342982884 /nfs/dbraw/zinc/98/28/84/342982884.db2.gz AULUQXRAAMVGIZ-CYBMUJFWSA-N 0 3 250.298 1.845 10 5 CDBEHN Cc1ccc(NC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000595230882 343009786 /nfs/dbraw/zinc/00/97/86/343009786.db2.gz WNNJBMWXEHSZFW-GHMZBOCLSA-N 0 3 296.302 1.806 10 5 CDBEHN O=[N+]([O-])c1ccc(CNCC[C@]2(O)CCOC2)cc1 ZINC000404174023 349767862 /nfs/dbraw/zinc/76/78/62/349767862.db2.gz QPUFOPJNUUKYCS-ZDUSSCGKSA-N 0 3 266.297 1.226 10 5 CDBEHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H](O)[C@H]1CCCO1 ZINC000599065397 343948171 /nfs/dbraw/zinc/94/81/71/343948171.db2.gz LFTXRSJPGVNJEE-AEGPPILISA-N 0 3 292.335 1.712 10 5 CDBEHN CN1CCC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000604198884 344865678 /nfs/dbraw/zinc/86/56/78/344865678.db2.gz JDYGTMJZZYBTGM-LLVKDONJSA-N 0 3 293.323 1.184 10 5 CDBEHN Cc1c(CC(=O)NC[C@@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000122836563 187055081 /nfs/dbraw/zinc/05/50/81/187055081.db2.gz CUOAUOKNDBRYCH-ZDUSSCGKSA-N 0 3 291.351 1.656 10 5 CDBEHN C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)CCN1C ZINC000124269568 187129556 /nfs/dbraw/zinc/12/95/56/187129556.db2.gz ZUFJAFIEBVSZNK-VHSXEESVSA-N 0 3 281.312 1.743 10 5 CDBEHN Cc1cc([N+](=O)[O-])cn(CCN2CCC(C)CC2)c1=O ZINC000157508835 188321831 /nfs/dbraw/zinc/32/18/31/188321831.db2.gz YHHAYIFTANELEI-UHFFFAOYSA-N 0 3 279.340 1.797 10 5 CDBEHN Cc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C)cc1[N+](=O)[O-] ZINC000282306698 357313740 /nfs/dbraw/zinc/31/37/40/357313740.db2.gz KDFMPYCUMKLHAS-CMPLNLGQSA-N 0 3 277.324 1.660 10 5 CDBEHN C[C@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])s2)CCN1C ZINC000192463872 358205839 /nfs/dbraw/zinc/20/58/39/358205839.db2.gz ZHNAWZRUCYSPRY-DTWKUNHWSA-N 0 3 270.358 1.970 10 5 CDBEHN CC(C)(N)c1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000070118397 361604905 /nfs/dbraw/zinc/60/49/05/361604905.db2.gz RDQJEELIZFXJED-UHFFFAOYSA-N 0 3 275.312 1.623 10 5 CDBEHN C[C@@H]1CCC[C@H](C)N1CCNc1ncc([N+](=O)[O-])cn1 ZINC000354566262 375726552 /nfs/dbraw/zinc/72/65/52/375726552.db2.gz CUDHFEHWPFOJAS-PHIMTYICSA-N 0 3 279.344 1.482 10 5 CDBEHN CN(C)[C@@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000151430392 378462377 /nfs/dbraw/zinc/46/23/77/378462377.db2.gz HLYNBGJAYVJSKN-CQSZACIVSA-N 0 3 291.351 1.690 10 5 CDBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](CO)C1 ZINC000266919992 378666736 /nfs/dbraw/zinc/66/67/36/378666736.db2.gz LPHYXYGFJLRAPX-MNOVXSKESA-N 0 3 250.298 1.970 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN1CCN2CCC1CC2 ZINC000364490819 391384561 /nfs/dbraw/zinc/38/45/61/391384561.db2.gz MHZFXRLUABGLDC-UHFFFAOYSA-N 0 3 261.325 1.875 10 5 CDBEHN CN1C[C@@H]2CCCN(c3ncc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000425291311 393017294 /nfs/dbraw/zinc/01/72/94/393017294.db2.gz ZXFKMLYLXDXEJM-DTWKUNHWSA-N 0 3 268.342 1.582 10 5 CDBEHN O=[N+]([O-])c1ccc(CN2CC[C@H](c3nc[nH]n3)C2)c(F)c1 ZINC000425352434 393020012 /nfs/dbraw/zinc/02/00/12/393020012.db2.gz HMEPHVOKHQTPME-JTQLQIEISA-N 0 3 291.286 1.842 10 5 CDBEHN COC(=O)[C@](C)(O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000429685084 393084982 /nfs/dbraw/zinc/08/49/82/393084982.db2.gz LZZLFZZGSZTVFW-IINYFYTJSA-N 0 3 296.323 1.478 10 5 CDBEHN CN(CCCCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000349919636 154272730 /nfs/dbraw/zinc/27/27/30/154272730.db2.gz HKWLOAJHGQURSD-ZDUSSCGKSA-N 0 3 298.339 1.039 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNCCC1(O)CCOCC1 ZINC000285455682 196289238 /nfs/dbraw/zinc/28/92/38/196289238.db2.gz JKKMKEQVPKXMIN-UHFFFAOYSA-N 0 3 294.351 1.924 10 5 CDBEHN CC[C@@H](C)[C@H](N)C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000040487123 174289973 /nfs/dbraw/zinc/28/99/73/174289973.db2.gz CYJWFRGQMIAITL-SKDRFNHKSA-N 0 3 265.313 1.931 10 5 CDBEHN CO[C@H]1CN[C@H](C(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000040632952 174359638 /nfs/dbraw/zinc/35/96/38/174359638.db2.gz RLJSFSYCLKYHRH-SCZZXKLOSA-N 0 3 299.714 1.564 10 5 CDBEHN N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000043299767 175000387 /nfs/dbraw/zinc/00/03/87/175000387.db2.gz CJKXFOCAXVYPMX-ONGXEEELSA-N 0 3 270.310 1.029 10 5 CDBEHN COC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1CNC1CC1 ZINC000043625142 175081420 /nfs/dbraw/zinc/08/14/20/175081420.db2.gz IPPOEMXSFBHRTL-SECBINFHSA-N 0 3 294.307 1.787 10 5 CDBEHN CNCc1ccc(O[C@@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC000043641268 175084580 /nfs/dbraw/zinc/08/45/80/175084580.db2.gz UTZDMCMYUWTDBO-QMMMGPOBSA-N 0 3 268.269 1.255 10 5 CDBEHN O=[N+]([O-])c1cccc(CN2CCCN(CCO)CC2)c1 ZINC000071350368 176134214 /nfs/dbraw/zinc/13/42/14/176134214.db2.gz CUAUEVCYNHNAAX-UHFFFAOYSA-N 0 3 279.340 1.095 10 5 CDBEHN Cc1cc([N+](=O)[O-])cnc1N1CCO[C@@H](CN(C)C)C1 ZINC000108951666 280664820 /nfs/dbraw/zinc/66/48/20/280664820.db2.gz RQPMOYXEZZRUQR-LBPRGKRZSA-N 0 3 280.328 1.065 10 5 CDBEHN C[C@H](Cn1cncn1)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579004124 324080847 /nfs/dbraw/zinc/08/08/47/324080847.db2.gz FENUAMQYDDPEBQ-MFKMUULPSA-N 0 3 287.323 1.852 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(OC[C@H](O)C(F)(F)F)c1 ZINC000068877427 522124920 /nfs/dbraw/zinc/12/49/20/522124920.db2.gz YVVLNBYPLNWVTJ-JTQLQIEISA-N 0 3 294.229 1.616 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(O[C@@H](C)C(=O)NCC)c1 ZINC000050517001 520001628 /nfs/dbraw/zinc/00/16/28/520001628.db2.gz CUWVVYGFGHTIRI-JTQLQIEISA-N 0 3 295.339 1.608 10 5 CDBEHN CCCN[C@@H](CCOc1ccc([N+](=O)[O-])c(C)c1)C(N)=O ZINC000062539940 520005139 /nfs/dbraw/zinc/00/51/39/520005139.db2.gz GSWIKAYCTACODO-LBPRGKRZSA-N 0 3 295.339 1.526 10 5 CDBEHN CCCCOC(=O)COc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516154 520713005 /nfs/dbraw/zinc/71/30/05/520713005.db2.gz YVZSDAJUOBHGPH-UHFFFAOYSA-N 0 3 282.296 1.776 10 5 CDBEHN CCN1CCC[C@H]1CNc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050454911 521659434 /nfs/dbraw/zinc/65/94/34/521659434.db2.gz WFYIFOJIKPEUCF-QMMMGPOBSA-N 0 3 285.735 1.934 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(O[C@H]2CCCC[C@H]2O)c1 ZINC000050516752 522128340 /nfs/dbraw/zinc/12/83/40/522128340.db2.gz NJKNYGJQWXHMCD-OLZOCXBDSA-N 0 3 280.324 1.997 10 5 CDBEHN CN[C@@](C)(CCOc1c(C)cc(C)cc1[N+](=O)[O-])C(N)=O ZINC000050442064 522411192 /nfs/dbraw/zinc/41/11/92/522411192.db2.gz FAFYSTOYROASNW-AWEZNQCLSA-N 0 3 295.339 1.444 10 5 CDBEHN CN[C@@](C)(CCOc1ccc(C)cc1[N+](=O)[O-])C(N)=O ZINC000045466348 522411483 /nfs/dbraw/zinc/41/14/83/522411483.db2.gz AYFOXDRFCLMYEB-ZDUSSCGKSA-N 0 3 281.312 1.136 10 5 CDBEHN CNC(=O)[C@@H](C)CN(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183390771 524080588 /nfs/dbraw/zinc/08/05/88/524080588.db2.gz QGWJLMSIMXIEDR-NSHDSACASA-N 0 3 279.340 1.717 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(O[C@@H](C)C[C@](C)(N)C(N)=O)c1 ZINC000068651058 526065358 /nfs/dbraw/zinc/06/53/58/526065358.db2.gz WICDRNCQZKNFNS-ZANVPECISA-N 0 3 281.312 1.263 10 5 CDBEHN O=[N+]([O-])c1cccc(CNC[C@H](O)c2cccnc2)c1 ZINC000771975882 575643715 /nfs/dbraw/zinc/64/37/15/575643715.db2.gz GCRMQYINNZCPIF-AWEZNQCLSA-N 0 3 273.292 1.813 10 5 CDBEHN COc1cccc(CO[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813110706 617346098 /nfs/dbraw/zinc/34/60/98/617346098.db2.gz HYZQZKHTFCASMG-MNOVXSKESA-N 0 3 297.307 1.809 10 5 CDBEHN CC(C)(C)OC(=O)N1CC[C@@H](NCC[N+](=O)[O-])C12CCC2 ZINC000931188166 617637429 /nfs/dbraw/zinc/63/74/29/617637429.db2.gz LKEFANGKBLTLCZ-LLVKDONJSA-N 0 3 299.371 1.785 10 5 CDBEHN C[C@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000928455028 619119326 /nfs/dbraw/zinc/11/93/26/619119326.db2.gz OQUDMRRDYRRILL-GXFFZTMASA-N 0 3 277.324 1.346 10 5 CDBEHN COc1ccc2c(c1)OC[C@@H]2CC(=O)OCC(C)[N+](=O)[O-] ZINC000813105323 1163813468 /nfs/dbraw/zinc/81/34/68/1163813468.db2.gz LWNLUJCATROATR-UWVGGRQHSA-N 0 3 295.291 1.770 10 5 CDBEHN CC(COC(=O)[C@@H](C)N(C)CC(F)(F)F)[N+](=O)[O-] ZINC000813112119 1163816154 /nfs/dbraw/zinc/81/61/54/1163816154.db2.gz BUDOGYYEKJDDSE-RNFRBKRXSA-N 0 3 272.223 1.077 10 5 CDBEHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1F ZINC000813111154 782258893 /nfs/dbraw/zinc/25/88/93/782258893.db2.gz PBRZAUNQWPNSDU-ZETCQYMHSA-N 0 3 257.217 1.656 10 5 CDBEHN CC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111917 782271018 /nfs/dbraw/zinc/27/10/18/782271018.db2.gz LPJDSSPXALGRHM-QMMMGPOBSA-N 0 3 251.238 1.711 10 5 CDBEHN CC(COC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)[N+](=O)[O-] ZINC000813109054 783039365 /nfs/dbraw/zinc/03/93/65/783039365.db2.gz NTINPRSSYFJSAN-QWRGUYRKSA-N 0 3 298.339 1.376 10 5 CDBEHN CC(COC(=O)/C=C/c1cncc(F)c1)[N+](=O)[O-] ZINC000813106863 780534594 /nfs/dbraw/zinc/53/45/94/780534594.db2.gz IXWVGOSWFPGSIS-SGJFDWMWSA-N 0 3 254.217 1.442 10 5 CDBEHN CC(COC(=O)c1coc(Br)c1)[N+](=O)[O-] ZINC000813110256 781089351 /nfs/dbraw/zinc/08/93/51/781089351.db2.gz VXQHMBDTFNDGJQ-RXMQYKEDSA-N 0 3 278.058 1.864 10 5 CDBEHN CCc1nn(C)c(N[C@@H]2CCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000719625933 781329619 /nfs/dbraw/zinc/32/96/19/781329619.db2.gz QBEZEGSSCXYCET-PSASIEDQSA-N 0 3 267.333 1.395 10 5 CDBEHN CC(=O)c1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813103911 781710982 /nfs/dbraw/zinc/71/09/82/781710982.db2.gz IBKJPGKMQIVLBB-MRVPVSSYSA-N 0 3 251.238 1.711 10 5 CDBEHN COc1ccc(OC)c(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112994 781818706 /nfs/dbraw/zinc/81/87/06/781818706.db2.gz NKBLWUAOIXMHHA-SECBINFHSA-N 0 3 283.280 1.455 10 5 CDBEHN CC(C)C(=O)N1CCCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110230 781840541 /nfs/dbraw/zinc/84/05/41/781840541.db2.gz VFIICUKIOVHMHN-WDEREUQCSA-N 0 3 286.328 1.232 10 5 CDBEHN COc1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813103004 783258596 /nfs/dbraw/zinc/25/85/96/783258596.db2.gz XZPIGRSQTLLLNF-SECBINFHSA-N 0 3 253.254 1.446 10 5 CDBEHN Cc1c(CNC[C@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC000113164696 783427542 /nfs/dbraw/zinc/42/75/42/783427542.db2.gz GIEAWZHGZSRKNA-ZDUSSCGKSA-N 0 3 279.340 1.323 10 5 CDBEHN CCN1CC[C@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000712538205 909583944 /nfs/dbraw/zinc/58/39/44/909583944.db2.gz OROYEKKKICDDNJ-QMMMGPOBSA-N 0 3 251.290 1.078 10 5 CDBEHN O=[N+]([O-])c1ccc([C@H](O)CN2C[C@H](O)C3(CC3)C2)cc1 ZINC001325881173 954121471 /nfs/dbraw/zinc/12/14/71/954121471.db2.gz PTPOINZJTQTMES-OLZOCXBDSA-N 0 3 278.308 1.085 10 5 CDBEHN COC(=O)[C@@H]1C[C@H]1[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000594923697 342988669 /nfs/dbraw/zinc/98/86/69/342988669.db2.gz FNACKMWOSZWXCB-ZMLRMANQSA-N 0 3 278.308 1.882 10 5 CDBEHN C[C@@]12COC[C@H]1CN(CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000595758409 343143378 /nfs/dbraw/zinc/14/33/78/343143378.db2.gz MWFVIQOJWHMNPG-IUODEOHRSA-N 0 3 292.335 1.942 10 5 CDBEHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H]2COC[C@@H]2C1 ZINC000595827653 343167473 /nfs/dbraw/zinc/16/74/73/343167473.db2.gz CUQRGTLZOHXQKF-OLZOCXBDSA-N 0 3 292.335 1.942 10 5 CDBEHN CCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CCN(CC)C1 ZINC000596458973 343316850 /nfs/dbraw/zinc/31/68/50/343316850.db2.gz ZPWCDRWSCIMWFL-NSHDSACASA-N 0 3 294.355 1.490 10 5 CDBEHN CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000597946362 343676042 /nfs/dbraw/zinc/67/60/42/343676042.db2.gz PGTYQOUNNKHGKW-CQSZACIVSA-N 0 3 291.351 1.690 10 5 CDBEHN NC(=O)[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000599002490 343937340 /nfs/dbraw/zinc/93/73/40/343937340.db2.gz CJDUALBUNZOXBN-KYZUINATSA-N 0 3 283.715 1.602 10 5 CDBEHN Cc1cc(CNCCn2cc([N+](=O)[O-])cn2)ccn1 ZINC000598967911 343931514 /nfs/dbraw/zinc/93/15/14/343931514.db2.gz QMARZKAMTPFFKI-UHFFFAOYSA-N 0 3 261.285 1.285 10 5 CDBEHN CCN[C@@H](CCO)C[S@](=O)c1ccccc1[N+](=O)[O-] ZINC000085927956 179202991 /nfs/dbraw/zinc/20/29/91/179202991.db2.gz JEAOLDMTULFSBR-APBUJDDRSA-N 0 3 286.353 1.063 10 5 CDBEHN C[C@@H](NC[C@@H](C)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000123482453 187094479 /nfs/dbraw/zinc/09/44/79/187094479.db2.gz XPCRJZFIWXKQBT-CHWSQXEVSA-N 0 3 293.367 1.966 10 5 CDBEHN Cc1ccc(CNC[C@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000079929158 538839071 /nfs/dbraw/zinc/83/90/71/538839071.db2.gz NQKROIMZZYPJGV-LLVKDONJSA-N 0 3 263.297 1.271 10 5 CDBEHN CC(C)[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000283962738 357626257 /nfs/dbraw/zinc/62/62/57/357626257.db2.gz IASKVCHGASPDTH-OAHLLOKOSA-N 0 3 293.367 1.734 10 5 CDBEHN CO[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1C ZINC000189257671 357989858 /nfs/dbraw/zinc/98/98/58/357989858.db2.gz HQSZOEQJNVXVCL-JQWIXIFHSA-N 0 3 268.317 1.148 10 5 CDBEHN N[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595906947 358651819 /nfs/dbraw/zinc/65/18/19/358651819.db2.gz OXOMCOXYOUUQQU-CHWSQXEVSA-N 0 3 267.304 1.508 10 5 CDBEHN O=[N+]([O-])c1ccccc1CNC[C@H](CO)c1cccnc1 ZINC000342310472 358999408 /nfs/dbraw/zinc/99/94/08/358999408.db2.gz UTMOOBMRNWEQDK-CQSZACIVSA-N 0 3 287.319 1.856 10 5 CDBEHN Cc1c(CN[C@H]2CCC(=O)N[C@H]2C)cccc1[N+](=O)[O-] ZINC000282199449 375072105 /nfs/dbraw/zinc/07/21/05/375072105.db2.gz CMMHRQGGZXWSGJ-JQWIXIFHSA-N 0 3 277.324 1.660 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](O)C[C@H]1C ZINC000471802963 375055427 /nfs/dbraw/zinc/05/54/27/375055427.db2.gz DYSJGIHJQMUMFW-MFKMUULPSA-N 0 3 250.298 1.858 10 5 CDBEHN COC[C@H](C)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000189749511 378173555 /nfs/dbraw/zinc/17/35/55/378173555.db2.gz SUQMVCQDUOWMBW-CYBMUJFWSA-N 0 3 293.367 1.999 10 5 CDBEHN O=[N+]([O-])c1ccc(N[C@H](CO)CN2CCCCC2)cn1 ZINC000450520550 251322324 /nfs/dbraw/zinc/32/23/24/251322324.db2.gz QPKSEJSCDQRGGD-LBPRGKRZSA-N 0 3 280.328 1.249 10 5 CDBEHN CN(C)C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000108952019 390624815 /nfs/dbraw/zinc/62/48/15/390624815.db2.gz XCNBNTZOBBRMGN-CYBMUJFWSA-N 0 3 265.313 1.362 10 5 CDBEHN COc1cc(CN2CC[C@@H](C)[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000442888435 392505098 /nfs/dbraw/zinc/50/50/98/392505098.db2.gz GSIMCQXHXFZEMM-MFKMUULPSA-N 0 3 280.324 1.806 10 5 CDBEHN COc1ccc(CN[C@H]2C[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000418113961 392876292 /nfs/dbraw/zinc/87/62/92/392876292.db2.gz MXFIURIDXGBPGN-GSJFWJNXSA-N 0 3 266.297 1.606 10 5 CDBEHN COc1cc(N2CCN[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000110625048 286229686 /nfs/dbraw/zinc/22/96/86/286229686.db2.gz OIOGCCXWYKCETD-QMMMGPOBSA-N 0 3 269.276 1.541 10 5 CDBEHN CC(=O)NCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177135 173010606 /nfs/dbraw/zinc/01/06/06/173010606.db2.gz KAXJCHNAIJUEGC-VIFPVBQESA-N 0 3 251.286 1.382 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CNC1CC1 ZINC000037386711 173169930 /nfs/dbraw/zinc/16/99/30/173169930.db2.gz ANLDTDAHKUDEIF-UHFFFAOYSA-N 0 3 265.269 1.294 10 5 CDBEHN C[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000518042429 260338035 /nfs/dbraw/zinc/33/80/35/260338035.db2.gz LRWKVPDCYOCERV-NSHDSACASA-N 0 3 294.355 1.538 10 5 CDBEHN COc1cc(C[NH2+][C@@H]2CC[C@@H](OC)C2)c([N+](=O)[O-])cc1[O-] ZINC000190954833 270286704 /nfs/dbraw/zinc/28/67/04/270286704.db2.gz NSIDKQNDSBBILC-GHMZBOCLSA-N 0 3 296.323 1.966 10 5 CDBEHN C[C@@H](CN(C)C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000286874050 533735596 /nfs/dbraw/zinc/73/55/96/533735596.db2.gz DQGNEGUBWYGFRG-VIFPVBQESA-N 0 3 290.323 1.756 10 5 CDBEHN CNC(C)(C)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000061318739 521939921 /nfs/dbraw/zinc/93/99/21/521939921.db2.gz GYCPNINUCPLKKP-UHFFFAOYSA-N 0 3 295.295 1.303 10 5 CDBEHN CN[C@](C)(C[C@H](C)Oc1cccc(C)c1[N+](=O)[O-])C(N)=O ZINC000068651401 522523231 /nfs/dbraw/zinc/52/32/31/522523231.db2.gz DAPUKIZGUWPZQO-IINYFYTJSA-N 0 3 295.339 1.524 10 5 CDBEHN Cn1cc(CNCCc2ccccc2[N+](=O)[O-])cn1 ZINC000062726381 527216598 /nfs/dbraw/zinc/21/65/98/527216598.db2.gz NOISZYOLVMOGEX-UHFFFAOYSA-N 0 3 260.297 1.661 10 5 CDBEHN O=[N+]([O-])c1ccccc1CCN1CCCC[C@H]1CO ZINC000062727279 527397369 /nfs/dbraw/zinc/39/73/69/527397369.db2.gz SUUCPVFABKHEIB-ZDUSSCGKSA-N 0 3 264.325 1.984 10 5 CDBEHN CC(C)N(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCOC1 ZINC000291783729 528915975 /nfs/dbraw/zinc/91/59/75/528915975.db2.gz MJXSFVUKELZCQC-ZDUSSCGKSA-N 0 3 295.339 1.256 10 5 CDBEHN COc1cc(CC(=O)OCC(C)[N+](=O)[O-])ccc1C ZINC000813106842 617343655 /nfs/dbraw/zinc/34/36/55/617343655.db2.gz IPJKGUKYFJYYEG-SNVBAGLBSA-N 0 3 267.281 1.755 10 5 CDBEHN CC(COC(=O)[C@H]1OCCc2ccccc21)[N+](=O)[O-] ZINC000813108571 617345092 /nfs/dbraw/zinc/34/50/92/617345092.db2.gz ZWKUZPWGXIXYNV-SKDRFNHKSA-N 0 3 265.265 1.509 10 5 CDBEHN Cc1cccc(O[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813108763 617345472 /nfs/dbraw/zinc/34/54/72/617345472.db2.gz AILKNTTXMLFMNT-QWRGUYRKSA-N 0 3 267.281 1.971 10 5 CDBEHN C[C@H]1[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CCN1C ZINC000928430039 619001866 /nfs/dbraw/zinc/00/18/66/619001866.db2.gz FGRWXUCPBLOONR-JOYOIKCWSA-N 0 3 295.314 1.485 10 5 CDBEHN Cc1c(C(=O)N[C@H]2CCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000928455938 619120078 /nfs/dbraw/zinc/12/00/78/619120078.db2.gz QPZTYAPMFZKPJS-PWSUYJOCSA-N 0 3 277.324 1.726 10 5 CDBEHN CCOc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813109510 1163816425 /nfs/dbraw/zinc/81/64/25/1163816425.db2.gz KCSPVOMSNMOZFY-SECBINFHSA-N 0 3 283.280 1.916 10 5 CDBEHN COCCN(C)CCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872030593 1165374010 /nfs/dbraw/zinc/37/40/10/1165374010.db2.gz IGYXAIQPPLOYAL-NSHDSACASA-N 0 3 299.346 1.963 10 5 CDBEHN C[C@H]1CN(c2nn(C)cc2[N+](=O)[O-])CCN1C1CCCC1 ZINC001612917627 1165525502 /nfs/dbraw/zinc/52/55/02/1165525502.db2.gz YFCOTPOYMQHZEW-NSHDSACASA-N 0 3 293.371 1.781 10 5 CDBEHN O=[N+]([O-])c1sccc1N1CC(N[C@H]2CCOC2)C1 ZINC001640464924 1167028702 /nfs/dbraw/zinc/02/87/02/1167028702.db2.gz JUMDSWCEJTZLAI-QMMMGPOBSA-N 0 3 269.326 1.223 10 5 CDBEHN CC(COC(=O)[C@H]1CCCN1C(=O)C(C)(C)C)[N+](=O)[O-] ZINC000813099865 1163805024 /nfs/dbraw/zinc/80/50/24/1163805024.db2.gz FQPGJOUCNFGJOR-VHSXEESVSA-N 0 3 286.328 1.232 10 5 CDBEHN CC(C)n1cnnc1SCC(=O)OCC(C)[N+](=O)[O-] ZINC000813110970 1163815359 /nfs/dbraw/zinc/81/53/59/1163815359.db2.gz NGGGERVDTBHJJQ-MRVPVSSYSA-N 0 3 288.329 1.160 10 5 CDBEHN COC(=O)C12CCC(C(=O)OCC(C)[N+](=O)[O-])(CC1)C2 ZINC000813108280 1163816138 /nfs/dbraw/zinc/81/61/38/1163816138.db2.gz CPCXTVUCVDVCPE-ALXWSUNGSA-N 0 3 285.296 1.318 10 5 CDBEHN Cc1cc([N+](=O)[O-])cn(CCN2CCCC2)c1=O ZINC000096778455 895844585 /nfs/dbraw/zinc/84/45/85/895844585.db2.gz NQGFBNYZUYAZEZ-UHFFFAOYSA-N 0 3 251.286 1.161 10 5 CDBEHN O=[N+]([O-])c1cc(Cl)c(F)cc1OC[C@@H]1CNCCO1 ZINC000164077607 911342402 /nfs/dbraw/zinc/34/24/02/911342402.db2.gz JDSXQJCHNRYDGS-ZETCQYMHSA-N 0 3 290.678 1.755 10 5 CDBEHN C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[C@H]1O ZINC000852502177 927799568 /nfs/dbraw/zinc/79/95/68/927799568.db2.gz BISVHJXJABBYNG-IDTSFGKNSA-N 0 3 294.351 1.577 10 5 CDBEHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1[C@@H]1CCOC1 ZINC000860776667 929198483 /nfs/dbraw/zinc/19/84/83/929198483.db2.gz GODHMNHKDGHACW-CMPLNLGQSA-N 0 3 296.323 1.888 10 5 CDBEHN CC(COC(=O)[C@@H]1CC(C)(C)OC1(C)C)[N+](=O)[O-] ZINC000860775980 929198984 /nfs/dbraw/zinc/19/89/84/929198984.db2.gz AJQJFXBKYKDYGL-BDAKNGLRSA-N 0 3 259.302 1.789 10 5 CDBEHN CN1CCC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000823133416 931259122 /nfs/dbraw/zinc/25/91/22/931259122.db2.gz PFOUYGFEEJMBHR-JTQLQIEISA-N 0 3 257.334 1.032 10 5 CDBEHN C[C@@H](NC[C@H](O)c1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000927136850 933045880 /nfs/dbraw/zinc/04/58/80/933045880.db2.gz JTEICRWTLQGWJV-YGRLFVJLSA-N 0 3 290.323 1.713 10 5 CDBEHN C[C@@H]1[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000719383011 934851270 /nfs/dbraw/zinc/85/12/70/934851270.db2.gz YFUOGOTZODQCNN-KCJUWKMLSA-N 0 3 281.287 1.556 10 5 CDBEHN O=[N+]([O-])c1cnc(N2CCN[C@@H](c3ccccc3)C2)nc1 ZINC001164191054 939428228 /nfs/dbraw/zinc/42/82/28/939428228.db2.gz WFGLQHJUXOBTFF-CYBMUJFWSA-N 0 3 285.307 1.536 10 5 CDBEHN Cc1[nH]cnc1CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001293540495 954378009 /nfs/dbraw/zinc/37/80/09/954378009.db2.gz JYKDAXZBZSTWAN-UHFFFAOYSA-N 0 3 274.280 1.485 10 5 CDBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C1(C)CC1 ZINC001317591196 957587606 /nfs/dbraw/zinc/58/76/06/957587606.db2.gz XGYDFEKLWWASLC-UHFFFAOYSA-N 0 3 291.351 1.943 10 5 CDBEHN O=[N+]([O-])CCN[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC001333175879 958127930 /nfs/dbraw/zinc/12/79/30/958127930.db2.gz TZSWPJRXARKZNR-CHWSQXEVSA-N 0 3 250.298 1.631 10 5 CDBEHN Cc1cccnc1[C@H](C)NCCn1ccc([N+](=O)[O-])n1 ZINC001656488381 1171830632 /nfs/dbraw/zinc/83/06/32/1171830632.db2.gz BUHZPRUZLBEBBN-NSHDSACASA-N 0 3 275.312 1.846 10 5 CDBEHN CN(CCNc1ncc(F)cc1[N+](=O)[O-])C1CC1 ZINC000401259137 342484367 /nfs/dbraw/zinc/48/43/67/342484367.db2.gz HNCSIJMYJRHYLY-UHFFFAOYSA-N 0 3 254.265 1.635 10 5 CDBEHN CN1CC=C(CNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000401143910 342478072 /nfs/dbraw/zinc/47/80/72/342478072.db2.gz ALWKRKLCGJVIHY-UHFFFAOYSA-N 0 3 266.276 1.803 10 5 CDBEHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC(C3CC3)C2)c1 ZINC000589656471 342511216 /nfs/dbraw/zinc/51/12/16/342511216.db2.gz IBTPVUYGZOICDM-AWEZNQCLSA-N 0 3 292.335 1.676 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2CN(C)C[C@H]21 ZINC000590009515 342519122 /nfs/dbraw/zinc/51/91/22/342519122.db2.gz SHCATTMFOWUTTN-SMDDNHRTSA-N 0 3 291.351 1.739 10 5 CDBEHN O=[N+]([O-])c1cccc2c1CCN(C[C@@H]1CCOC1)C2 ZINC000534512381 282198362 /nfs/dbraw/zinc/19/83/62/282198362.db2.gz SZXZRVOJNFBJNW-NSHDSACASA-N 0 3 262.309 1.989 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595260923 343014570 /nfs/dbraw/zinc/01/45/70/343014570.db2.gz NLBJQIQPNSDTHU-VXGBXAGGSA-N 0 3 281.287 1.415 10 5 CDBEHN COC[C@@H](CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)OC ZINC000595481488 343065129 /nfs/dbraw/zinc/06/51/29/343065129.db2.gz OJKRHPHFEJADRD-GFCCVEGCSA-N 0 3 298.343 1.090 10 5 CDBEHN COC(=O)[C@@H]1OCC[C@@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000595661142 343120036 /nfs/dbraw/zinc/12/00/36/343120036.db2.gz DVXKZZRIANRBNL-QWHCGFSZSA-N 0 3 294.307 1.057 10 5 CDBEHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C)C1 ZINC000597944412 343675070 /nfs/dbraw/zinc/67/50/70/343675070.db2.gz CEHRDNWBTRMPIR-CYBMUJFWSA-N 0 3 277.324 1.761 10 5 CDBEHN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1 ZINC000598536158 343828492 /nfs/dbraw/zinc/82/84/92/343828492.db2.gz NDKZLJIIJBMXRR-CMPLNLGQSA-N 0 3 277.324 1.807 10 5 CDBEHN Cc1ccc(CNC[C@H]2COCCN2C)cc1[N+](=O)[O-] ZINC000599003292 343937267 /nfs/dbraw/zinc/93/72/67/343937267.db2.gz HPNDQBUWMYPHLW-ZDUSSCGKSA-N 0 3 279.340 1.323 10 5 CDBEHN CCN1CCC[C@H]1CNc1ncnc(NC)c1[N+](=O)[O-] ZINC000085538665 179092381 /nfs/dbraw/zinc/09/23/81/179092381.db2.gz BZWUHZYRICMZBW-VIFPVBQESA-N 0 3 280.332 1.323 10 5 CDBEHN COC[C@@](C)(CCO)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154434428 188142672 /nfs/dbraw/zinc/14/26/72/188142672.db2.gz AMRXEWIONBTUJO-ZIAGYGMSSA-N 0 3 298.339 1.005 10 5 CDBEHN O=C1CCCN1CCCNCc1cccc([N+](=O)[O-])c1 ZINC000013727787 357278042 /nfs/dbraw/zinc/27/80/42/357278042.db2.gz WFLFKPKLEAJUDO-UHFFFAOYSA-N 0 3 277.324 1.697 10 5 CDBEHN COC[C@@](C)(CCO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000175853341 357416682 /nfs/dbraw/zinc/41/66/82/357416682.db2.gz CFMNYZUSXXLLGD-CQSZACIVSA-N 0 3 298.339 1.481 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1OC[C@@H]1CNCCO1 ZINC000080745195 359002563 /nfs/dbraw/zinc/00/25/63/359002563.db2.gz IFFIBCHJGOSXIU-NSHDSACASA-N 0 3 252.270 1.270 10 5 CDBEHN CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H](C)CO ZINC000339629499 359420335 /nfs/dbraw/zinc/42/03/35/359420335.db2.gz JHQGYJJKOIQFNG-SNVBAGLBSA-N 0 3 268.313 1.806 10 5 CDBEHN COC[C@H](CN[C@@H](C)c1ccccc1[N+](=O)[O-])OC ZINC000227691075 360531956 /nfs/dbraw/zinc/53/19/56/360531956.db2.gz YZRCOBWAVIAJCE-QWRGUYRKSA-N 0 3 268.313 1.907 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCCC[C@@H]2C2(O)CC2)c1 ZINC000573183569 361707257 /nfs/dbraw/zinc/70/72/57/361707257.db2.gz KHRSDNVTQMWARG-GFCCVEGCSA-N 0 3 280.328 1.171 10 5 CDBEHN COCCN(C)CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094771904 367002060 /nfs/dbraw/zinc/00/20/60/367002060.db2.gz KQISVOUPZRXMQI-UHFFFAOYSA-N 0 3 293.327 1.461 10 5 CDBEHN O=[N+]([O-])c1ccccc1CNC[C@H]1CCC[C@H]1O ZINC000089161700 370228460 /nfs/dbraw/zinc/22/84/60/370228460.db2.gz IROKUQWFNMAIBQ-DGCLKSJQSA-N 0 3 250.298 1.845 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)[C@@H](C)CO ZINC000295713100 370582650 /nfs/dbraw/zinc/58/26/50/370582650.db2.gz KIDKODDOXFWRDG-WDEREUQCSA-N 0 3 295.339 1.448 10 5 CDBEHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)C1=CCN(C)CC1 ZINC000543754766 374390579 /nfs/dbraw/zinc/39/05/79/374390579.db2.gz GNBKXXCLFXEDJD-JTQLQIEISA-N 0 3 290.323 1.370 10 5 CDBEHN COC[C@](C)(O)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000449383658 374804133 /nfs/dbraw/zinc/80/41/33/374804133.db2.gz JADCOVIOYPFBOR-CYBMUJFWSA-N 0 3 268.313 1.472 10 5 CDBEHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000450379967 251255127 /nfs/dbraw/zinc/25/51/27/251255127.db2.gz QNLJUUQLKPOPKT-BXKDBHETSA-N 0 3 262.313 1.884 10 5 CDBEHN Cc1cnc(N2CC[C@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000266215007 391670740 /nfs/dbraw/zinc/67/07/40/391670740.db2.gz OPAYIWSGVXEBRG-JTQLQIEISA-N 0 3 250.302 1.439 10 5 CDBEHN Nc1ccc([N+](=O)[O-])c(NC[C@@H](O)CN2CCCCC2)c1 ZINC000192778520 391803043 /nfs/dbraw/zinc/80/30/43/391803043.db2.gz ILYWWMVKFOLURU-GFCCVEGCSA-N 0 3 294.355 1.436 10 5 CDBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000247490942 131103353 /nfs/dbraw/zinc/10/33/53/131103353.db2.gz UFOVPGFGYAMVCR-FZMZJTMJSA-N 0 3 289.335 1.904 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNCCc1cn(C)cn1 ZINC000459636779 392496540 /nfs/dbraw/zinc/49/65/40/392496540.db2.gz AOHNUNIDBXTABM-UHFFFAOYSA-N 0 3 274.324 1.969 10 5 CDBEHN CCCNCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000044287958 175159715 /nfs/dbraw/zinc/15/97/15/175159715.db2.gz DMKUIROEKGKQAP-UHFFFAOYSA-N 0 3 267.285 1.542 10 5 CDBEHN Cc1cc(C)c([N+](=O)[O-])c(N2CCCN(C)CC2)n1 ZINC000359080335 280398823 /nfs/dbraw/zinc/39/88/23/280398823.db2.gz FCYWJPLFICVODP-UHFFFAOYSA-N 0 3 264.329 1.749 10 5 CDBEHN CN(C)C1(CN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CC1 ZINC000397958631 280710165 /nfs/dbraw/zinc/71/01/65/280710165.db2.gz CQPADZJGQYPWAM-UHFFFAOYSA-N 0 3 275.312 1.399 10 5 CDBEHN COCCN(C)CCNc1ccc([N+](=O)[O-])cc1N ZINC000061378126 523616846 /nfs/dbraw/zinc/61/68/46/523616846.db2.gz NZPUGRBPJXTXNH-UHFFFAOYSA-N 0 3 268.317 1.167 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(OCC[C@@H](NC(C)C)C(N)=O)c1 ZINC000062539897 526064506 /nfs/dbraw/zinc/06/45/06/526064506.db2.gz KUCZSUPZPHPUDT-LLVKDONJSA-N 0 3 295.339 1.524 10 5 CDBEHN CN1CC[C@@H](CNCc2ccccc2[N+](=O)[O-])CC1=O ZINC000424182759 536449911 /nfs/dbraw/zinc/44/99/11/536449911.db2.gz ACHIHFYQXJXZLW-LLVKDONJSA-N 0 3 277.324 1.553 10 5 CDBEHN NNc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1CCCO ZINC000052763268 527282317 /nfs/dbraw/zinc/28/23/17/527282317.db2.gz YKDIDUAFTVKGHS-LBPRGKRZSA-N 0 3 294.355 1.617 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CCCC1 ZINC000055177355 527313263 /nfs/dbraw/zinc/31/32/63/527313263.db2.gz QBRUCJOTHCXWAJ-UHFFFAOYSA-N 0 3 278.312 1.124 10 5 CDBEHN CCN(CC)CCOC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000772185420 575669971 /nfs/dbraw/zinc/66/99/71/575669971.db2.gz WQIIJZPYVBUGGI-UHFFFAOYSA-N 0 3 267.285 1.488 10 5 CDBEHN C[C@@H]1CC(O)C[C@@H](C)N1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759485514 576394152 /nfs/dbraw/zinc/39/41/52/576394152.db2.gz AMQSSTCTWLMDTK-UEKVPHQBSA-N 0 3 294.351 1.862 10 5 CDBEHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000813109467 617345363 /nfs/dbraw/zinc/34/53/63/617345363.db2.gz UAYGPUXQWSVMDA-ZJUUUORDSA-N 0 3 281.312 1.985 10 5 CDBEHN CC(=O)c1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110336 617345698 /nfs/dbraw/zinc/34/56/98/617345698.db2.gz YCGAVOJPUHSSQI-SECBINFHSA-N 0 3 265.265 1.640 10 5 CDBEHN C[C@@H](NC[C@@H](O)c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000927137576 621795832 /nfs/dbraw/zinc/79/58/32/621795832.db2.gz QSTUKORWCUYTQQ-QMTHXVAHSA-N 0 3 290.323 1.713 10 5 CDBEHN COC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])c(F)c1 ZINC000813105644 1163806442 /nfs/dbraw/zinc/80/64/42/1163806442.db2.gz RAIRKGGJPWXSOI-SSDOTTSWSA-N 0 3 285.227 1.434 10 5 CDBEHN CC(COC(=O)[C@@H]1CCC(=O)c2ccccc21)[N+](=O)[O-] ZINC000813105603 1163809834 /nfs/dbraw/zinc/80/98/34/1163809834.db2.gz PYMBAKWRXZFVTE-BXKDBHETSA-N 0 3 277.276 1.955 10 5 CDBEHN O=C1OC[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC001655245475 1171681729 /nfs/dbraw/zinc/68/17/29/1171681729.db2.gz GDJRXOTWUSEBFI-GWCFXTLKSA-N 0 3 292.291 1.078 10 5 CDBEHN CC(COC(=O)[C@@H]1CCCN(CC(F)(F)F)C1)[N+](=O)[O-] ZINC000813112065 1163816351 /nfs/dbraw/zinc/81/63/51/1163816351.db2.gz ZEHRYECLXWEYAX-DTWKUNHWSA-N 0 3 298.261 1.469 10 5 CDBEHN O=C1OCC[C@@]12CCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC001620684019 1165666135 /nfs/dbraw/zinc/66/61/35/1165666135.db2.gz YVVSHXYIPOZUHR-CQSZACIVSA-N 0 3 276.292 1.734 10 5 CDBEHN CC(=O)c1csc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813108499 783852786 /nfs/dbraw/zinc/85/27/86/783852786.db2.gz ZBRKUPGWEDGCHQ-LURJTMIESA-N 0 3 257.267 1.773 10 5 CDBEHN O=[N+]([O-])c1ccc(OC[C@@H]2CNCCO2)c(F)c1F ZINC000849240943 783865079 /nfs/dbraw/zinc/86/50/79/783865079.db2.gz ZPVZFMNQDODSKZ-ZETCQYMHSA-N 0 3 274.223 1.240 10 5 CDBEHN CC(COC(=O)c1ccc(-n2cncn2)cc1)[N+](=O)[O-] ZINC000813111684 784807647 /nfs/dbraw/zinc/80/76/47/784807647.db2.gz WBOFBWDXDSHLJA-SECBINFHSA-N 0 3 276.252 1.089 10 5 CDBEHN CC(COC(=O)c1cn(C)nc1C(C)(C)C)[N+](=O)[O-] ZINC000813102887 785095752 /nfs/dbraw/zinc/09/57/52/785095752.db2.gz KYQLUDGAMNKLDG-QMMMGPOBSA-N 0 3 269.301 1.540 10 5 CDBEHN CC(COC(=O)[C@H]1Cc2ccc(F)cc21)[N+](=O)[O-] ZINC000813105438 786817119 /nfs/dbraw/zinc/81/71/19/786817119.db2.gz ZKONPRSYWVOJMG-HQJQHLMTSA-N 0 3 253.229 1.674 10 5 CDBEHN CCOc1ncccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813111663 787483230 /nfs/dbraw/zinc/48/32/30/787483230.db2.gz VTRKRIXPUXVMSY-QMMMGPOBSA-N 0 3 254.242 1.302 10 5 CDBEHN CC(COC(=O)c1ccnc(O[C@@H]2CCOC2)c1)[N+](=O)[O-] ZINC000813103807 788315855 /nfs/dbraw/zinc/31/58/55/788315855.db2.gz UKXJOZUAUWIVAN-GXSJLCMTSA-N 0 3 296.279 1.071 10 5 CDBEHN CC(COC(=O)CCOCC(F)(F)C(F)F)[N+](=O)[O-] ZINC000813114880 788326490 /nfs/dbraw/zinc/32/64/90/788326490.db2.gz IJMQFVBIGLBQRZ-ZCFIWIBFSA-N 0 3 291.197 1.502 10 5 CDBEHN CON(C)C(=O)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000787731460 788538876 /nfs/dbraw/zinc/53/88/76/788538876.db2.gz RMSLRRKCVJUKHZ-LLVKDONJSA-N 0 3 295.339 1.964 10 5 CDBEHN CCc1nn(C)c(N[C@H]2CCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000719625936 789078204 /nfs/dbraw/zinc/07/82/04/789078204.db2.gz QBEZEGSSCXYCET-SCZZXKLOSA-N 0 3 267.333 1.395 10 5 CDBEHN CC(COC(=O)[C@@H]1CCCN(CC(F)(F)F)C1)[N+](=O)[O-] ZINC000813112068 789809793 /nfs/dbraw/zinc/80/97/93/789809793.db2.gz ZEHRYECLXWEYAX-RKDXNWHRSA-N 0 3 298.261 1.469 10 5 CDBEHN CCc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000813104823 789843776 /nfs/dbraw/zinc/84/37/76/789843776.db2.gz RYWUJOUIODPORX-MRVPVSSYSA-N 0 3 282.252 1.979 10 5 CDBEHN Cc1n[nH]c(C(=O)NCCN2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC001558754797 965346841 /nfs/dbraw/zinc/34/68/41/965346841.db2.gz WEZYGDTVNGVNBH-UHFFFAOYSA-N 0 3 295.343 1.088 10 5 CDBEHN CC[C@H](NC[C@H](O)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC001653099376 1171503393 /nfs/dbraw/zinc/50/33/93/1171503393.db2.gz KAVXGIWHLITJOO-STQMWFEESA-N 0 3 282.340 1.767 10 5 CDBEHN COCCN1CCC(Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601109209 342468053 /nfs/dbraw/zinc/46/80/53/342468053.db2.gz SNHQDOWYTYDACI-UHFFFAOYSA-N 0 3 298.318 1.652 10 5 CDBEHN C[C@@H](CO)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000586773205 342468283 /nfs/dbraw/zinc/46/82/83/342468283.db2.gz NPEUBUVIRNRWIQ-LLVKDONJSA-N 0 3 252.314 1.698 10 5 CDBEHN COCCN1CCC[C@@H]1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000601111260 342468813 /nfs/dbraw/zinc/46/88/13/342468813.db2.gz PVNIYTQVHURZJK-LLVKDONJSA-N 0 3 298.318 1.652 10 5 CDBEHN COc1cc(CN[C@@H]2C[C@H](C)O[C@@H]2C)c([N+](=O)[O-])cc1O ZINC000601149950 342482356 /nfs/dbraw/zinc/48/23/56/342482356.db2.gz UHXASANSMKQDDJ-IQJOONFLSA-N 0 3 296.323 1.965 10 5 CDBEHN NC[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000401720588 342633651 /nfs/dbraw/zinc/63/36/51/342633651.db2.gz ZXPDOJHTBDRQIU-MRVPVSSYSA-N 0 3 277.202 1.214 10 5 CDBEHN NC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000401766489 342712017 /nfs/dbraw/zinc/71/20/17/342712017.db2.gz GOEODTVOGYFIQM-MRVPVSSYSA-N 0 3 292.217 1.606 10 5 CDBEHN COc1cccc([N+](=O)[O-])c1NC[C@@H](C)N(C)C ZINC000594547680 342915954 /nfs/dbraw/zinc/91/59/54/342915954.db2.gz ZSEZQGPIZXLSDK-SECBINFHSA-N 0 3 253.302 1.965 10 5 CDBEHN CC(=O)c1ccc(OC[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000594698008 342943596 /nfs/dbraw/zinc/94/35/96/342943596.db2.gz GXYOOJLXYHQICQ-NSHDSACASA-N 0 3 280.280 1.165 10 5 CDBEHN COc1cc(CN[C@H]2C[C@H](O)C23CCC3)ccc1[N+](=O)[O-] ZINC000595779387 343149845 /nfs/dbraw/zinc/14/98/45/343149845.db2.gz DOQUWUUCGFXKGY-KBPBESRZSA-N 0 3 292.335 1.997 10 5 CDBEHN O=[N+]([O-])c1ccc(CCN2CCC3(COC3)C2)cc1 ZINC000595833452 343169999 /nfs/dbraw/zinc/16/99/99/343169999.db2.gz JOOIWRWSRLRKDB-UHFFFAOYSA-N 0 3 262.309 1.860 10 5 CDBEHN CC12CC(C1)CN2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595920278 343191669 /nfs/dbraw/zinc/19/16/69/343191669.db2.gz PYJSZPCTHNHGMB-MQYJIDSJSA-N 0 3 292.335 1.819 10 5 CDBEHN CCCN1CC[C@@H](NC(=O)c2nn(CC)cc2[N+](=O)[O-])C1 ZINC000598341628 343770304 /nfs/dbraw/zinc/77/03/04/343770304.db2.gz DZMCGRGZAHJAPF-SNVBAGLBSA-N 0 3 295.343 1.025 10 5 CDBEHN CN(C)C[C@@H]1CCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000610705311 357826904 /nfs/dbraw/zinc/82/69/04/357826904.db2.gz ABCRYDCQCDORDU-VIFPVBQESA-N 0 3 295.368 1.834 10 5 CDBEHN C[C@@]12CCN(CCn3ccc([N+](=O)[O-])n3)C[C@@H]1C2(F)F ZINC000298187850 200355291 /nfs/dbraw/zinc/35/52/91/200355291.db2.gz AWRSWFXMAWEWJY-GXSJLCMTSA-N 0 3 286.282 1.768 10 5 CDBEHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])nc2)CCN1C ZINC000090795247 360221940 /nfs/dbraw/zinc/22/19/40/360221940.db2.gz NFBBGNOTMHUSEU-VHSXEESVSA-N 0 3 250.302 1.884 10 5 CDBEHN CN(C)CCSc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301588758 201082976 /nfs/dbraw/zinc/08/29/76/201082976.db2.gz CEFOLISVVKXSOV-UHFFFAOYSA-N 0 3 294.336 1.256 10 5 CDBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[C@H](O)C1 ZINC000351820097 369264953 /nfs/dbraw/zinc/26/49/53/369264953.db2.gz NMWNFGHLOZOZSW-GIPNMCIBSA-N 0 3 250.298 1.968 10 5 CDBEHN O=[N+]([O-])c1ccc(C2=[N+]([O-])[C@H]3CCCC[C@H]3[N+]([O-])=C2)cc1 ZINC000225405110 374300529 /nfs/dbraw/zinc/30/05/29/374300529.db2.gz IHKVUPKKDOPRNE-OLZOCXBDSA-N 0 3 291.307 1.583 10 5 CDBEHN C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)N(C)C ZINC000299511297 374680021 /nfs/dbraw/zinc/68/00/21/374680021.db2.gz GEQKNACFQZFIKK-SECBINFHSA-N 0 3 290.323 1.756 10 5 CDBEHN C[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000093344645 378068947 /nfs/dbraw/zinc/06/89/47/378068947.db2.gz WPZOFHDITLHLQR-AAEUAGOBSA-N 0 3 280.324 1.676 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCCN1C ZINC000421702074 392942630 /nfs/dbraw/zinc/94/26/30/392942630.db2.gz JGJWCJFMDJMLAL-LLVKDONJSA-N 0 3 292.339 1.464 10 5 CDBEHN COc1cc(CN2CCC[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000426227835 393039514 /nfs/dbraw/zinc/03/95/14/393039514.db2.gz NSAHSZPEDVCHKA-GFCCVEGCSA-N 0 3 280.324 1.950 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CCC(c3cc[nH]n3)CC2)n1 ZINC000176223570 148029362 /nfs/dbraw/zinc/02/93/62/148029362.db2.gz FDRFCGQWYURTMQ-UHFFFAOYSA-N 0 3 290.327 1.394 10 5 CDBEHN CCOc1ccc(C(=O)N[C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000346143224 153068713 /nfs/dbraw/zinc/06/87/13/153068713.db2.gz SUNGFHFUQQEASZ-SNVBAGLBSA-N 0 3 295.339 1.673 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]3COCC[C@H]32)c1 ZINC000362456912 159152562 /nfs/dbraw/zinc/15/25/62/159152562.db2.gz XOGFRFKIYVGDMA-WCQYABFASA-N 0 3 280.328 1.292 10 5 CDBEHN C[C@@H](N)C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000037365492 173154715 /nfs/dbraw/zinc/15/47/15/173154715.db2.gz FBDIFXFJOOXEJH-RXMQYKEDSA-N 0 3 277.202 1.899 10 5 CDBEHN CN(c1ncnc(Cl)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000040571538 174338517 /nfs/dbraw/zinc/33/85/17/174338517.db2.gz XNCMFEFSCCKOHM-UHFFFAOYSA-N 0 3 285.735 1.569 10 5 CDBEHN CO[C@@H]1CN[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040633261 174359291 /nfs/dbraw/zinc/35/92/91/174359291.db2.gz GMNQKHJXUFTQOU-KWQFWETISA-N 0 3 299.714 1.564 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)N1CCNCC1 ZINC000043511965 175060643 /nfs/dbraw/zinc/06/06/43/175060643.db2.gz GBCFLEPXPKPJPX-NSHDSACASA-N 0 3 292.339 1.135 10 5 CDBEHN COC(=O)c1ccc([N+](=O)[O-])c(NCC2(N(C)C)CC2)c1 ZINC000397902619 270352632 /nfs/dbraw/zinc/35/26/32/270352632.db2.gz ULHUVUDPCDBTAG-UHFFFAOYSA-N 0 3 293.323 1.888 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000264858708 277079392 /nfs/dbraw/zinc/07/93/92/277079392.db2.gz DKPYXULVFOLNKL-NSHDSACASA-N 0 3 292.339 1.217 10 5 CDBEHN O=[N+]([O-])c1ccc(CN2CC[C@@H]3OCCN[C@@H]3C2)cc1 ZINC000404144284 289444623 /nfs/dbraw/zinc/44/46/23/289444623.db2.gz HPFTVQIGJIVZKD-KGLIPLIRSA-N 0 3 277.324 1.158 10 5 CDBEHN CC(C)NCc1ccc([N+](=O)[O-])c(OCC(=O)N(C)C)c1 ZINC000050517209 519727160 /nfs/dbraw/zinc/72/71/60/519727160.db2.gz AKZHEJASYVGHJA-UHFFFAOYSA-N 0 3 295.339 1.560 10 5 CDBEHN CCN1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000050708134 521648389 /nfs/dbraw/zinc/64/83/89/521648389.db2.gz AJPGUTDUGKXCMJ-JTQLQIEISA-N 0 3 292.339 1.391 10 5 CDBEHN COCC[C@@H](N)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000052791107 521827290 /nfs/dbraw/zinc/82/72/90/521827290.db2.gz BQNGRAMKIAVTPM-SNVBAGLBSA-N 0 3 267.285 1.206 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(OCCn2cccn2)c1 ZINC000050516725 522124889 /nfs/dbraw/zinc/12/48/89/522124889.db2.gz YGYWZMTXYJWASX-UHFFFAOYSA-N 0 3 276.296 1.590 10 5 CDBEHN CO[C@H]1C[NH2+]C[C@H]1[N-]c1c(F)c(F)ccc1[N+](=O)[O-] ZINC000053165186 524008623 /nfs/dbraw/zinc/00/86/23/524008623.db2.gz RRVXJPLQAAIMCR-APPZFPTMSA-N 0 3 273.239 1.272 10 5 CDBEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000069133450 525096929 /nfs/dbraw/zinc/09/69/29/525096929.db2.gz ZSKOHXNZGARMSA-RKDXNWHRSA-N 0 3 281.287 1.556 10 5 CDBEHN Cc1cc(C(=O)N2[C@@H](C)CNC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000069133262 526263213 /nfs/dbraw/zinc/26/32/13/526263213.db2.gz BWEBYVUBVCVWRM-QWRGUYRKSA-N 0 3 277.324 1.726 10 5 CDBEHN N=C(N)c1ncccc1COc1ccc([N+](=O)[O-])cc1F ZINC000061658821 526825491 /nfs/dbraw/zinc/82/54/91/526825491.db2.gz UDBSNZKWEFKNFC-UHFFFAOYSA-N 0 3 290.254 1.992 10 5 CDBEHN NCc1ccc([N+](=O)[O-])c(OCC(=O)N2CCCCC2)c1 ZINC000050516580 527258113 /nfs/dbraw/zinc/25/81/13/527258113.db2.gz ONPKQUFNLNBKNT-UHFFFAOYSA-N 0 3 293.323 1.445 10 5 CDBEHN Cc1nn(CN(C)CC2CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749939920 576969204 /nfs/dbraw/zinc/96/92/04/576969204.db2.gz WFCQJRNSLUUQMI-UHFFFAOYSA-N 0 3 275.312 1.947 10 5 CDBEHN CN1C[C@@H]2CN(c3ncc([N+](=O)[O-])s3)C[C@]2(C)C1 ZINC000896913816 620304024 /nfs/dbraw/zinc/30/40/24/620304024.db2.gz VQEHYQRLSCTSRT-KCJUWKMLSA-N 0 3 268.342 1.439 10 5 CDBEHN C[C@@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000902927006 625644929 /nfs/dbraw/zinc/64/49/29/625644929.db2.gz YLVDXOWFACKCIG-SKDRFNHKSA-N 0 3 278.312 1.809 10 5 CDBEHN CC[C@H](NC[C@H](O)[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000717369683 790961035 /nfs/dbraw/zinc/96/10/35/790961035.db2.gz VREBUDIAHRZTPY-XDTLVQLUSA-N 0 3 268.313 1.377 10 5 CDBEHN CC(COC(=O)C12CC(C(F)(F)F)(C1)C2)[N+](=O)[O-] ZINC000813111976 790073353 /nfs/dbraw/zinc/07/33/53/790073353.db2.gz MBQIXZJTWZTUOP-GVWIPJJGSA-N 0 3 267.203 1.927 10 5 CDBEHN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCN(C)[C@@H]1C ZINC000719626187 791157722 /nfs/dbraw/zinc/15/77/22/791157722.db2.gz RJAJRSDVYIATMF-MWLCHTKSSA-N 0 3 250.302 1.803 10 5 CDBEHN COCc1cncc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813114746 791923434 /nfs/dbraw/zinc/92/34/34/791923434.db2.gz WAVMGIGVPBDRHT-QMMMGPOBSA-N 0 3 254.242 1.050 10 5 CDBEHN CC(COC(=O)[C@H]1CCCN1c1ccccc1)[N+](=O)[O-] ZINC000813112496 792058340 /nfs/dbraw/zinc/05/83/40/792058340.db2.gz QTCGXBBMIDRAPS-DGCLKSJQSA-N 0 3 278.308 1.864 10 5 CDBEHN COc1ccc(C(=O)CCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813109434 792068057 /nfs/dbraw/zinc/06/80/57/792068057.db2.gz SFQIKRVKAXIADU-SNVBAGLBSA-N 0 3 295.291 1.867 10 5 CDBEHN CCOc1ccc(OCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813100014 793138179 /nfs/dbraw/zinc/13/81/79/793138179.db2.gz KEQXPTDENDVIDN-JTQLQIEISA-N 0 3 283.280 1.673 10 5 CDBEHN CC(C)(O)CN1CC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000865998656 794426798 /nfs/dbraw/zinc/42/67/98/794426798.db2.gz QJONQTISWYDCDW-JTQLQIEISA-N 0 3 280.328 1.247 10 5 CDBEHN CC(COC(=O)COc1cc(F)cc(F)c1)[N+](=O)[O-] ZINC000813102919 794522821 /nfs/dbraw/zinc/52/28/21/794522821.db2.gz LQYNGIVQVFRLAF-SSDOTTSWSA-N 0 3 275.207 1.552 10 5 CDBEHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000775731390 794656307 /nfs/dbraw/zinc/65/63/07/794656307.db2.gz OINCEECHDYCYON-KBPBESRZSA-N 0 3 280.324 1.739 10 5 CDBEHN CC(C)CCn1cc(C(=O)OCC(C)[N+](=O)[O-])nn1 ZINC000813113968 795046741 /nfs/dbraw/zinc/04/67/41/795046741.db2.gz XHKPDIHUPBVJQC-SECBINFHSA-N 0 3 270.289 1.146 10 5 CDBEHN CC(COC(=O)CSCC(F)(F)F)[N+](=O)[O-] ZINC000813109513 796418915 /nfs/dbraw/zinc/41/89/15/796418915.db2.gz KHENGIFPLPSDDK-YFKPBYRVSA-N 0 3 261.221 1.490 10 5 CDBEHN Cc1ccc([C@H](C)NCCOCCCO)cc1[N+](=O)[O-] ZINC000353956386 1167335355 /nfs/dbraw/zinc/33/53/55/1167335355.db2.gz MJROWWVUPSCLNI-LBPRGKRZSA-N 0 3 282.340 1.953 10 5 CDBEHN Cc1ccc([C@@H](C)NCCOCCCO)cc1[N+](=O)[O-] ZINC000353956385 1167335897 /nfs/dbraw/zinc/33/58/97/1167335897.db2.gz MJROWWVUPSCLNI-GFCCVEGCSA-N 0 3 282.340 1.953 10 5 CDBEHN Cc1ccc([C@@H](C)NCC[S@](C)=O)cc1[N+](=O)[O-] ZINC000131382749 930174651 /nfs/dbraw/zinc/17/46/51/930174651.db2.gz KBOPAWVPUOVNGD-MLCYQJTMSA-N 0 3 270.354 1.932 10 5 CDBEHN C[C@H](NCC[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC001341079299 963267978 /nfs/dbraw/zinc/26/79/78/963267978.db2.gz TZMMWEFHSLMVMZ-OUJBWJOFSA-N 0 3 250.298 1.806 10 5 CDBEHN C[C@H]1[C@@H](O)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC001460112982 969478265 /nfs/dbraw/zinc/47/82/65/969478265.db2.gz SAGBZJZXTUODNY-GWCFXTLKSA-N 0 3 266.297 1.429 10 5 CDBEHN CC[N@H+](C)[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001655961809 1171749808 /nfs/dbraw/zinc/74/98/08/1171749808.db2.gz WKMCCGFPQTVQAF-VIFPVBQESA-N 0 3 266.301 1.226 10 5 CDBEHN CC[N@@H+](C)[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001655961809 1171749814 /nfs/dbraw/zinc/74/98/14/1171749814.db2.gz WKMCCGFPQTVQAF-VIFPVBQESA-N 0 3 266.301 1.226 10 5 CDBEHN O=[N+]([O-])c1ccc(CNCC[C@H](O)C(F)F)cc1 ZINC000601146941 342481812 /nfs/dbraw/zinc/48/18/12/342481812.db2.gz FIRLQTYHJRJONO-JTQLQIEISA-N 0 3 260.240 1.701 10 5 CDBEHN CN1C[C@H]2[C@@H](CCN2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000590012363 342519918 /nfs/dbraw/zinc/51/99/18/342519918.db2.gz RWUJDLOXOMIHDY-JSGCOSHPSA-N 0 3 261.325 1.731 10 5 CDBEHN Cc1ccc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590047162 342521150 /nfs/dbraw/zinc/52/11/50/342521150.db2.gz WJQNXCBKYAWOTR-GXTWGEPZSA-N 0 3 289.335 1.679 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1(N)CCOCC1 ZINC000132114867 342069530 /nfs/dbraw/zinc/06/95/30/342069530.db2.gz MTVNASVVFONSRB-UHFFFAOYSA-N 0 3 279.296 1.350 10 5 CDBEHN O=[N+]([O-])c1ccc(Cl)cc1NC[C@H]1CNCCO1 ZINC000125231130 187175179 /nfs/dbraw/zinc/17/51/79/187175179.db2.gz LQIAQFSHSDWEAP-SECBINFHSA-N 0 3 271.704 1.649 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCNCC1(C)C ZINC000591678393 342641535 /nfs/dbraw/zinc/64/15/35/342641535.db2.gz SFTBRPQHPSUYFX-UHFFFAOYSA-N 0 3 278.312 1.122 10 5 CDBEHN COC[C@@H]1C[C@@H](O)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000593060932 342760871 /nfs/dbraw/zinc/76/08/71/342760871.db2.gz KBUXZRJGXCSVAW-QWHCGFSZSA-N 0 3 296.323 1.055 10 5 CDBEHN C[C@H](NC(=O)COC1(C)CNC1)c1cccc([N+](=O)[O-])c1 ZINC000098060900 342226905 /nfs/dbraw/zinc/22/69/05/342226905.db2.gz SPQDYTDHIRCEFD-JTQLQIEISA-N 0 3 293.323 1.151 10 5 CDBEHN COC[C@@H](CCNCc1ccc([N+](=O)[O-])cc1F)OC ZINC000594954605 342983057 /nfs/dbraw/zinc/98/30/57/342983057.db2.gz ILDVEXQRODOCFG-GFCCVEGCSA-N 0 3 286.303 1.875 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)[C@H](C)CO ZINC000450741362 362015026 /nfs/dbraw/zinc/01/50/26/362015026.db2.gz YQXRNNCBEIXYHU-ZJUUUORDSA-N 0 3 268.313 1.710 10 5 CDBEHN O=[N+]([O-])c1cccc(OCCN2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000595766867 343145741 /nfs/dbraw/zinc/14/57/41/343145741.db2.gz MCUJIDUPKFRKMX-SMDDNHRTSA-N 0 3 278.308 1.430 10 5 CDBEHN C[C@]12COC[C@@H]1CN(CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000595756528 343142092 /nfs/dbraw/zinc/14/20/92/343142092.db2.gz GRFHMRMZQRAHDC-WFASDCNBSA-N 0 3 292.335 1.942 10 5 CDBEHN O=[N+]([O-])c1ccccc1/C=C\CN1CCOC2(CNC2)C1 ZINC000596106277 343228700 /nfs/dbraw/zinc/22/87/00/343228700.db2.gz NPBQJUXGUZYNOQ-HYXAFXHYSA-N 0 3 289.335 1.282 10 5 CDBEHN CO[C@]1(CO)CCCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000597186482 343478914 /nfs/dbraw/zinc/47/89/14/343478914.db2.gz GFESQVKDZBMNTB-OAHLLOKOSA-N 0 3 294.351 1.877 10 5 CDBEHN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@H](C)N1 ZINC000598535353 343827907 /nfs/dbraw/zinc/82/79/07/343827907.db2.gz CILJKOCAEAYSHJ-GXSJLCMTSA-N 0 3 292.339 1.511 10 5 CDBEHN CN1CCOC[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000599004666 343937690 /nfs/dbraw/zinc/93/76/90/343937690.db2.gz WSFYOXAMPNTCMW-LBPRGKRZSA-N 0 3 265.313 1.015 10 5 CDBEHN NC(=O)[C@H]1C[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599071590 343948929 /nfs/dbraw/zinc/94/89/29/343948929.db2.gz YHJDNVHNBFEYPQ-MJVIPROJSA-N 0 3 289.335 1.826 10 5 CDBEHN CC(C)(F)CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000601968218 344298679 /nfs/dbraw/zinc/29/86/79/344298679.db2.gz MXPULBDJKZDSOH-SNVBAGLBSA-N 0 3 286.303 1.672 10 5 CDBEHN O=[N+]([O-])c1ccc(CN2CC[C@H]3OCCN[C@H]3C2)cc1 ZINC000404145016 362519115 /nfs/dbraw/zinc/51/91/15/362519115.db2.gz HPFTVQIGJIVZKD-UONOGXRCSA-N 0 3 277.324 1.158 10 5 CDBEHN O=[N+]([O-])c1ccc(CN2CC[C@H]3OCCN[C@@H]3C2)cc1 ZINC000404145021 362519373 /nfs/dbraw/zinc/51/93/73/362519373.db2.gz HPFTVQIGJIVZKD-ZIAGYGMSSA-N 0 3 277.324 1.158 10 5 CDBEHN CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CCN(C2CC2)C1 ZINC000609509402 345358587 /nfs/dbraw/zinc/35/85/87/345358587.db2.gz XFHJBKUYOXROKX-NSHDSACASA-N 0 3 292.339 1.242 10 5 CDBEHN COc1ccc([N+](=O)[O-])c(N2CCN3CCC[C@H]3C2)c1 ZINC000610250032 346229189 /nfs/dbraw/zinc/22/91/89/346229189.db2.gz MLYNBCDYKLJHDO-NSHDSACASA-N 0 3 277.324 1.888 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](C(F)F)C2)c1 ZINC000611180148 346630562 /nfs/dbraw/zinc/63/05/62/346630562.db2.gz SPMBRNGAHPQUAD-MRVPVSSYSA-N 0 3 260.244 1.378 10 5 CDBEHN CN(C)[C@@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000612444817 347173309 /nfs/dbraw/zinc/17/33/09/347173309.db2.gz XTXWABUPNPZAOB-SNVBAGLBSA-N 0 3 287.323 1.678 10 5 CDBEHN COCCN1CCC[C@H]1CNc1ccncc1[N+](=O)[O-] ZINC000068910817 351133505 /nfs/dbraw/zinc/13/35/05/351133505.db2.gz ZLDHNQOIXCOIKQ-NSHDSACASA-N 0 3 280.328 1.513 10 5 CDBEHN CC[C@@H]1CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000292411271 198278270 /nfs/dbraw/zinc/27/82/70/198278270.db2.gz MBKLXZNAXPULFX-NEPJUHHUSA-N 0 3 280.324 1.819 10 5 CDBEHN CN1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])nc3)[C@@H]2C1 ZINC000425279983 283206146 /nfs/dbraw/zinc/20/61/46/283206146.db2.gz GLQWPNWWOTVDJY-CMPLNLGQSA-N 0 3 262.313 1.520 10 5 CDBEHN Cc1cc(CNCCn2cc([N+](=O)[O-])cn2)cc(C)c1O ZINC000290556482 357221926 /nfs/dbraw/zinc/22/19/26/357221926.db2.gz ZKIUDFONWNFCFA-UHFFFAOYSA-N 0 3 290.323 1.904 10 5 CDBEHN C[C@@H]1CCN(CC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000584539061 358147779 /nfs/dbraw/zinc/14/77/79/358147779.db2.gz IGPFSSTVUPWBLI-GFCCVEGCSA-N 0 3 291.351 1.595 10 5 CDBEHN C[C@@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])s2)CCN1C ZINC000192463882 358205277 /nfs/dbraw/zinc/20/52/77/358205277.db2.gz ZHNAWZRUCYSPRY-BDAKNGLRSA-N 0 3 270.358 1.970 10 5 CDBEHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](N(C)C)C1 ZINC000062965993 358760495 /nfs/dbraw/zinc/76/04/95/358760495.db2.gz HBUYIKZOKQYZNI-GFCCVEGCSA-N 0 3 277.324 1.938 10 5 CDBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000172054927 359716953 /nfs/dbraw/zinc/71/69/53/359716953.db2.gz GAHSIFHCTGMPHB-MWLCHTKSSA-N 0 3 295.364 1.965 10 5 CDBEHN CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCN(C2CC2)C1 ZINC000347901843 359924176 /nfs/dbraw/zinc/92/41/76/359924176.db2.gz UWUSJRZNFPUTPN-JTQLQIEISA-N 0 3 278.312 1.232 10 5 CDBEHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC000275872643 193151471 /nfs/dbraw/zinc/15/14/71/193151471.db2.gz NWUYMAMNPVPCMX-BPLDGKMQSA-N 0 3 294.351 1.864 10 5 CDBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[C@@H](O)C1 ZINC000351820099 369264279 /nfs/dbraw/zinc/26/42/79/369264279.db2.gz NMWNFGHLOZOZSW-NRUUGDAUSA-N 0 3 250.298 1.968 10 5 CDBEHN CNC(=O)[C@@H]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000420967771 374308203 /nfs/dbraw/zinc/30/82/03/374308203.db2.gz ALJKHRLVONOBAZ-GHMZBOCLSA-N 0 3 277.324 1.724 10 5 CDBEHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2C[C@H]3CCCC[C@H]32)c1 ZINC000377727759 374617161 /nfs/dbraw/zinc/61/71/61/374617161.db2.gz VAASIEGSDHPPNG-KGYLQXTDSA-N 0 3 280.328 1.027 10 5 CDBEHN COC[C@@](C)(O)CCNCc1ccc([N+](=O)[O-])cc1F ZINC000449384636 374803983 /nfs/dbraw/zinc/80/39/83/374803983.db2.gz NVZXPDFPBHHROW-ZDUSSCGKSA-N 0 3 286.303 1.611 10 5 CDBEHN COc1cc(CNCC2=CCOCC2)c([N+](=O)[O-])cc1O ZINC000449401751 374807756 /nfs/dbraw/zinc/80/77/56/374807756.db2.gz IORKBEFSPOSOPO-UHFFFAOYSA-N 0 3 294.307 1.745 10 5 CDBEHN CN[C@H](C)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000054075096 376576855 /nfs/dbraw/zinc/57/68/55/376576855.db2.gz NWAFZUJBAPBRND-SECBINFHSA-N 0 3 251.286 1.161 10 5 CDBEHN O=[N+]([O-])c1cccc(CN2C[C@@H](CO)[C@H](CCO)C2)c1 ZINC001620677300 1172603679 /nfs/dbraw/zinc/60/36/79/1172603679.db2.gz NIZUOSDZQXMCOM-OLZOCXBDSA-N 0 3 280.324 1.018 10 5 CDBEHN O=[N+]([O-])c1ccc2[nH]c(N3CC[C@@H](N4CC=CC4)C3)nc2c1 ZINC000278544410 285140850 /nfs/dbraw/zinc/14/08/50/285140850.db2.gz VEMMQGCZQLHDEW-GFCCVEGCSA-N 0 3 299.334 1.922 10 5 CDBEHN COc1ccc(CN[C@H]2CN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000358014262 391941314 /nfs/dbraw/zinc/94/13/14/391941314.db2.gz BWBWSSRCCTXVJY-PWSUYJOCSA-N 0 3 279.340 1.643 10 5 CDBEHN Cc1nc(N2CCO[C@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000284519089 393191862 /nfs/dbraw/zinc/19/18/62/393191862.db2.gz JXIMOIXHZRDZGF-OLZOCXBDSA-N 0 3 292.339 1.208 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(OCCO)CC1 ZINC000349979397 154295768 /nfs/dbraw/zinc/29/57/68/154295768.db2.gz WPOMLIUFBAOGEG-UHFFFAOYSA-N 0 3 294.351 1.877 10 5 CDBEHN CC[C@H](C)NCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000037386442 173169943 /nfs/dbraw/zinc/16/99/43/173169943.db2.gz CIAPSZFYEKGJLW-VIFPVBQESA-N 0 3 251.286 1.921 10 5 CDBEHN Cc1ccc(CNCCc2nccn2C)cc1[N+](=O)[O-] ZINC000040639149 174363632 /nfs/dbraw/zinc/36/36/32/174363632.db2.gz JVWUSBRXRVQKOW-UHFFFAOYSA-N 0 3 274.324 1.969 10 5 CDBEHN CN(C[C@@H]1CCN(C)C1)C(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000071189322 176064907 /nfs/dbraw/zinc/06/49/07/176064907.db2.gz NSQCTXFVBTYLRI-SNVBAGLBSA-N 0 3 295.314 1.758 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000194577593 292583449 /nfs/dbraw/zinc/58/34/49/292583449.db2.gz PZVHYGZXFDZOBD-LLVKDONJSA-N 0 3 277.324 1.679 10 5 CDBEHN CC1(C)COC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000313073299 260243767 /nfs/dbraw/zinc/24/37/67/260243767.db2.gz YOBSSPPDGRWYKC-ZDUSSCGKSA-N 0 3 280.324 1.988 10 5 CDBEHN COc1cc(C[NH2+][C@H]2CC[C@H](OC)C2)c([N+](=O)[O-])cc1[O-] ZINC000190954818 270286642 /nfs/dbraw/zinc/28/66/42/270286642.db2.gz NSIDKQNDSBBILC-QWRGUYRKSA-N 0 3 296.323 1.966 10 5 CDBEHN C[C@H](CCNCc1ccc([N+](=O)[O-])cc1)[S@](C)=O ZINC000133734014 279266787 /nfs/dbraw/zinc/26/67/87/279266787.db2.gz RJFSNUHHISHNPA-MLCYQJTMSA-N 0 3 270.354 1.842 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN1C ZINC000278020507 281257680 /nfs/dbraw/zinc/25/76/80/281257680.db2.gz QCAOPQHQRISSFT-NSHDSACASA-N 0 3 277.324 1.727 10 5 CDBEHN CN(C)C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532397413 281975862 /nfs/dbraw/zinc/97/58/62/281975862.db2.gz IVWJIJNIPALLPY-NSHDSACASA-N 0 3 278.312 1.156 10 5 CDBEHN COC[C@H](C)CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000571150273 294376772 /nfs/dbraw/zinc/37/67/72/294376772.db2.gz OGOXJBJVVCCYCV-SECBINFHSA-N 0 3 278.312 1.843 10 5 CDBEHN CC(C)CN1C(=O)C[C@@H](N)[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000070294332 519719326 /nfs/dbraw/zinc/71/93/26/519719326.db2.gz PALYELVPUDEXGU-PRHODGIISA-N 0 3 267.285 1.445 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(O[C@@H](C)C(=O)NC)c1 ZINC000050517003 520002491 /nfs/dbraw/zinc/00/24/91/520002491.db2.gz AZDCXGJTQRMZDS-VIFPVBQESA-N 0 3 281.312 1.218 10 5 CDBEHN CCN[C@@H](CCOc1cccc(C)c1[N+](=O)[O-])C(N)=O ZINC000062540725 520092611 /nfs/dbraw/zinc/09/26/11/520092611.db2.gz FKBMJIBAWXBCSN-JTQLQIEISA-N 0 3 281.312 1.136 10 5 CDBEHN CCCNc1ccc(CN(C)CCO)cc1[N+](=O)[O-] ZINC000050814518 520154364 /nfs/dbraw/zinc/15/43/64/520154364.db2.gz YFRMUGFBZHGFBH-UHFFFAOYSA-N 0 3 267.329 1.841 10 5 CDBEHN CCN[C@](C)(C[C@@H](C)Oc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000068650872 520237167 /nfs/dbraw/zinc/23/71/67/520237167.db2.gz FUXHKHFXYZTDON-QMTHXVAHSA-N 0 3 295.339 1.606 10 5 CDBEHN CCCN(CCO)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050815797 521667056 /nfs/dbraw/zinc/66/70/56/521667056.db2.gz YSRYTJAIBBOVAX-UHFFFAOYSA-N 0 3 267.329 1.841 10 5 CDBEHN CN(C)C[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1NN ZINC000061653313 521867971 /nfs/dbraw/zinc/86/79/71/521867971.db2.gz BMINFRSVWREWAO-CYBMUJFWSA-N 0 3 293.371 1.406 10 5 CDBEHN COCCNCc1cnc(-c2cccc([N+](=O)[O-])c2)nc1 ZINC000054856809 523956593 /nfs/dbraw/zinc/95/65/93/523956593.db2.gz ZIHKGRNPYAEPQL-UHFFFAOYSA-N 0 3 288.307 1.788 10 5 CDBEHN C[C@H](CN1CCCC1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000049183783 524314837 /nfs/dbraw/zinc/31/48/37/524314837.db2.gz SSSFBOTZPWAYRH-SNVBAGLBSA-N 0 3 295.314 1.948 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1CO ZINC000183252110 525562736 /nfs/dbraw/zinc/56/27/36/525562736.db2.gz MFKKJLLNTXTEQT-CYBMUJFWSA-N 0 3 250.298 1.860 10 5 CDBEHN N=C(N)c1ncccc1COc1ccccc1[N+](=O)[O-] ZINC000061658801 526825764 /nfs/dbraw/zinc/82/57/64/526825764.db2.gz BPOJJYLEOPOUOA-UHFFFAOYSA-N 0 3 272.264 1.853 10 5 CDBEHN NCc1ccc([N+](=O)[O-])c(OCC(F)(F)F)c1 ZINC000050516544 527257889 /nfs/dbraw/zinc/25/78/89/527257889.db2.gz ICVDAWAUFOGPFD-UHFFFAOYSA-N 0 3 250.176 1.995 10 5 CDBEHN NCc1ccc([N+](=O)[O-])c(O[C@H]2CCCC[C@H]2O)c1 ZINC000050516338 527259060 /nfs/dbraw/zinc/25/90/60/527259060.db2.gz AODNCRDLSNYDGS-NEPJUHHUSA-N 0 3 266.297 1.736 10 5 CDBEHN CC(COC(=O)[C@@H](C)OCc1ccccc1)[N+](=O)[O-] ZINC000813102182 617342037 /nfs/dbraw/zinc/34/20/37/617342037.db2.gz ORYCSTFZDGNEFQ-WDEREUQCSA-N 0 3 267.281 1.800 10 5 CDBEHN COc1ccccc1OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813103516 617342660 /nfs/dbraw/zinc/34/26/60/617342660.db2.gz CPYGZTPBQMGIKW-SECBINFHSA-N 0 3 269.253 1.282 10 5 CDBEHN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)n1 ZINC001636274606 1166666417 /nfs/dbraw/zinc/66/64/17/1166666417.db2.gz LPCGEZFQERUCMS-GWCFXTLKSA-N 0 3 290.323 1.074 10 5 CDBEHN Cc1noc(C(C)C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110997 1163815386 /nfs/dbraw/zinc/81/53/86/1163815386.db2.gz NWZQTYABVVBRFI-ZETCQYMHSA-N 0 3 256.258 1.928 10 5 CDBEHN CC(COC(=O)CO[C@H]1CCC[C@@H](C)C1)[N+](=O)[O-] ZINC000813106357 1163814338 /nfs/dbraw/zinc/81/43/38/1163814338.db2.gz BLSYWRAOUHABSN-MXWKQRLJSA-N 0 3 259.302 1.790 10 5 CDBEHN CC(COC(=O)c1csc([C@@H]2CCCO2)n1)[N+](=O)[O-] ZINC000813115154 1163817928 /nfs/dbraw/zinc/81/79/28/1163817928.db2.gz LKVYFHBLTODCPV-APPZFPTMSA-N 0 3 286.309 1.817 10 5 CDBEHN CC(=O)[C@@H](C)CCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813113190 1163816868 /nfs/dbraw/zinc/81/68/68/1163816868.db2.gz OHASSNPIBDUKTK-VHSXEESVSA-N 0 3 259.302 1.980 10 5 CDBEHN Cc1ccc(CNC(=O)[C@@H](N)C2CCC2)cc1[N+](=O)[O-] ZINC000870963412 1165242351 /nfs/dbraw/zinc/24/23/51/1165242351.db2.gz ZKLIZDIVJHXRKH-ZDUSSCGKSA-N 0 3 277.324 1.647 10 5 CDBEHN CC(COC(=O)C[C@@H](C)c1ccncc1)[N+](=O)[O-] ZINC000813115590 796472179 /nfs/dbraw/zinc/47/21/79/796472179.db2.gz WAIOBYLUTSAUSX-ZJUUUORDSA-N 0 3 252.270 1.784 10 5 CDBEHN CCN(CC(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813112058 797824940 /nfs/dbraw/zinc/82/49/40/797824940.db2.gz MVFZPJFLTMRBPU-LLVKDONJSA-N 0 3 266.297 1.721 10 5 CDBEHN Cc1c(CN[C@H]2CC23CC(O)C3)cccc1[N+](=O)[O-] ZINC000724993877 897627580 /nfs/dbraw/zinc/62/75/80/897627580.db2.gz URBHCZMFJPXCTF-QRMWWUJWSA-N 0 3 262.309 1.906 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN1C[C@H](CO)[C@@H](CCO)C1 ZINC001648634439 1169145083 /nfs/dbraw/zinc/14/50/83/1169145083.db2.gz FWWOLTUROBPTOP-WCQYABFASA-N 0 3 280.324 1.018 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928451483 933148803 /nfs/dbraw/zinc/14/88/03/933148803.db2.gz LHLFMKWAVLDYTP-BXKDBHETSA-N 0 3 278.312 1.121 10 5 CDBEHN C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c(N)c2F)CCN1C ZINC000719367266 934850546 /nfs/dbraw/zinc/85/05/46/934850546.db2.gz BZOSOINCMMKIDC-JGVFFNPUSA-N 0 3 268.292 1.821 10 5 CDBEHN Cc1cnc(N[C@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000719620810 934857583 /nfs/dbraw/zinc/85/75/83/934857583.db2.gz AMEZQLHDSMRMMB-ZJUUUORDSA-N 0 3 250.302 1.803 10 5 CDBEHN O=[N+]([O-])c1cc(F)ccc1N1CC(N[C@@H]2CCOC2)C1 ZINC001164234760 939437107 /nfs/dbraw/zinc/43/71/07/939437107.db2.gz VBUZFVJAIGOORA-SNVBAGLBSA-N 0 3 281.287 1.301 10 5 CDBEHN CCN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001456155113 968876685 /nfs/dbraw/zinc/87/66/85/968876685.db2.gz XNOQRSIDSGYUJW-JTQLQIEISA-N 0 3 292.339 1.391 10 5 CDBEHN COc1cc(CN[C@@H]2C[C@@H](C)O[C@@H]2C)c([N+](=O)[O-])cc1O ZINC000601149949 342482403 /nfs/dbraw/zinc/48/24/03/342482403.db2.gz UHXASANSMKQDDJ-FXPVBKGRSA-N 0 3 296.323 1.965 10 5 CDBEHN CN1C[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000590011694 342519666 /nfs/dbraw/zinc/51/96/66/342519666.db2.gz MKBCRSWGPWJNPR-RISCZKNCSA-N 0 3 279.315 1.870 10 5 CDBEHN NC[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])C(F)(F)F ZINC000401713448 342624685 /nfs/dbraw/zinc/62/46/85/342624685.db2.gz JSQJFMVSYVOMFO-QMMMGPOBSA-N 0 3 295.192 1.353 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CN)C(F)(F)F ZINC000401718725 342626927 /nfs/dbraw/zinc/62/69/27/342626927.db2.gz IGEZPHDTZCLSNC-SECBINFHSA-N 0 3 291.229 1.523 10 5 CDBEHN NC[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000401751522 342673093 /nfs/dbraw/zinc/67/30/93/342673093.db2.gz YCFJPTBZWLZCFR-SECBINFHSA-N 0 3 291.229 1.143 10 5 CDBEHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCOC1 ZINC000593068716 342762084 /nfs/dbraw/zinc/76/20/84/342762084.db2.gz GUGOLKLETKIOIY-ZDUSSCGKSA-N 0 3 295.339 1.257 10 5 CDBEHN N[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[C@H]1F ZINC000595262765 343014952 /nfs/dbraw/zinc/01/49/52/343014952.db2.gz CSRVTIVCSVZEHR-VXGBXAGGSA-N 0 3 296.302 1.176 10 5 CDBEHN C[C@H](CO)[C@H](C)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595429108 343058062 /nfs/dbraw/zinc/05/80/62/343058062.db2.gz LPIJJYRVMJMJHL-BDAKNGLRSA-N 0 3 256.277 1.840 10 5 CDBEHN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC2(CNC2)O1 ZINC000595891741 343182409 /nfs/dbraw/zinc/18/24/09/343182409.db2.gz NGFPBLHQWCAYQF-ZDUSSCGKSA-N 0 3 291.351 1.548 10 5 CDBEHN CNc1ccc(C(=O)N2CC[C@@H](F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000595946276 343205480 /nfs/dbraw/zinc/20/54/80/343205480.db2.gz DJSREKANKBPIMW-NXEZZACHSA-N 0 3 296.302 1.148 10 5 CDBEHN N[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1F ZINC000595907789 343188939 /nfs/dbraw/zinc/18/89/39/343188939.db2.gz YGJZXGRPLNHJAP-CHWSQXEVSA-N 0 3 283.303 1.345 10 5 CDBEHN CN(C)C[C@@H](CO)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000596244105 343285732 /nfs/dbraw/zinc/28/57/32/343285732.db2.gz PEUPZSQQWJTHJW-NSHDSACASA-N 0 3 294.355 1.203 10 5 CDBEHN CN(Cc1csc([N+](=O)[O-])c1)CC1CN(C)C1 ZINC000597202680 343472807 /nfs/dbraw/zinc/47/28/07/343472807.db2.gz IFGRMCODHYWXIN-UHFFFAOYSA-N 0 3 255.343 1.650 10 5 CDBEHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1 ZINC000597944413 343675044 /nfs/dbraw/zinc/67/50/44/343675044.db2.gz CEHRDNWBTRMPIR-ZDUSSCGKSA-N 0 3 277.324 1.761 10 5 CDBEHN CCc1n[nH]c(C(=O)N2C[C@@H](CC)N[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598530942 343826354 /nfs/dbraw/zinc/82/63/54/343826354.db2.gz ALDSPLMBAUYBAA-DTWKUNHWSA-N 0 3 295.343 1.093 10 5 CDBEHN CCc1[nH]nc(C(=O)N2C[C@@H](CC)N[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598530942 343826355 /nfs/dbraw/zinc/82/63/55/343826355.db2.gz ALDSPLMBAUYBAA-DTWKUNHWSA-N 0 3 295.343 1.093 10 5 CDBEHN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@H](C)N1 ZINC000598536589 343828588 /nfs/dbraw/zinc/82/85/88/343828588.db2.gz TXDQNFQPGREFHV-VHSXEESVSA-N 0 3 280.328 1.146 10 5 CDBEHN CN1CCOC[C@@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000599003940 343937376 /nfs/dbraw/zinc/93/73/76/343937376.db2.gz NJAZPTWITIRUQN-JTQLQIEISA-N 0 3 271.342 1.077 10 5 CDBEHN COc1ccc([N+](=O)[O-])c(N2CCN3CCC[C@@H]3C2)c1 ZINC000610250031 346229669 /nfs/dbraw/zinc/22/96/69/346229669.db2.gz MLYNBCDYKLJHDO-LLVKDONJSA-N 0 3 277.324 1.888 10 5 CDBEHN CCN1CCN(CCNc2ccncc2[N+](=O)[O-])CC1 ZINC000060375297 348467896 /nfs/dbraw/zinc/46/78/96/348467896.db2.gz RZSIKYIWDCHELP-UHFFFAOYSA-N 0 3 279.344 1.039 10 5 CDBEHN CN(C)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000122800199 367787358 /nfs/dbraw/zinc/78/73/58/367787358.db2.gz GFECYPFOHWHJCG-MRVPVSSYSA-N 0 3 270.720 1.784 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000441218478 368530654 /nfs/dbraw/zinc/53/06/54/368530654.db2.gz SAEAWMICTAMKCE-STQMWFEESA-N 0 3 294.355 1.540 10 5 CDBEHN CN(C)[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000170860973 369951017 /nfs/dbraw/zinc/95/10/17/369951017.db2.gz QTFMPFYBKNTOMF-LBPRGKRZSA-N 0 3 293.323 1.136 10 5 CDBEHN CC[C@@H](NC(=O)NCCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000133826518 372845629 /nfs/dbraw/zinc/84/56/29/372845629.db2.gz QYHUGDAGMAOZJA-CYBMUJFWSA-N 0 3 294.355 1.907 10 5 CDBEHN Cc1cc(N2C[C@@H](C)N(CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000419002017 374271709 /nfs/dbraw/zinc/27/17/09/374271709.db2.gz LXHMMFOKXOZXGK-OLZOCXBDSA-N 0 3 293.367 1.795 10 5 CDBEHN C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000275142899 374689491 /nfs/dbraw/zinc/68/94/91/374689491.db2.gz FAQRFCNOPRSRQT-TVQRCGJNSA-N 0 3 276.296 1.702 10 5 CDBEHN O=[N+]([O-])c1ccc2nc([S@@](=O)C[C@H]3CC[NH2+]C3)[n-]c2c1 ZINC000095092130 374869291 /nfs/dbraw/zinc/86/92/91/374869291.db2.gz WOSGLLMSTFRBSM-FFVOIRBGSA-N 0 3 294.336 1.188 10 5 CDBEHN O=[N+]([O-])c1ccc2[n-]c([S@@](=O)C[C@H]3CC[NH2+]C3)nc2c1 ZINC000095092130 374869298 /nfs/dbraw/zinc/86/92/98/374869298.db2.gz WOSGLLMSTFRBSM-FFVOIRBGSA-N 0 3 294.336 1.188 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H](CO)[C@H]1CCOC1 ZINC000280363836 374994953 /nfs/dbraw/zinc/99/49/53/374994953.db2.gz UEZODRCWUFXTOI-KBPBESRZSA-N 0 3 294.351 1.638 10 5 CDBEHN O=[N+]([O-])c1cc(CN2CCN3CCC[C@@H]3C2)cs1 ZINC000171643649 376890055 /nfs/dbraw/zinc/89/00/55/376890055.db2.gz LIYQAZWQGNABFE-LLVKDONJSA-N 0 3 267.354 1.936 10 5 CDBEHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532143205 393067427 /nfs/dbraw/zinc/06/74/27/393067427.db2.gz VMTUTKDVGZSEBP-LLVKDONJSA-N 0 3 292.339 1.404 10 5 CDBEHN Cc1cc(N2CCO[C@@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000284556295 393193970 /nfs/dbraw/zinc/19/39/70/393193970.db2.gz MZLPARJQPAGQSZ-HUUCEWRRSA-N 0 3 291.351 1.813 10 5 CDBEHN CO[C@@H]1CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000040633275 174359570 /nfs/dbraw/zinc/35/95/70/174359570.db2.gz SITWLSZEPUWDIR-CMPLNLGQSA-N 0 3 279.296 1.219 10 5 CDBEHN CN[C@H]1CCN(c2cc([N+](=O)[O-])ccc2F)C1=O ZINC000071039996 176027339 /nfs/dbraw/zinc/02/73/39/176027339.db2.gz KDLBWVSUMWXOOU-VIFPVBQESA-N 0 3 253.233 1.059 10 5 CDBEHN C[C@@H]1CC[C@@H](O)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000399164656 270369746 /nfs/dbraw/zinc/36/97/46/270369746.db2.gz CSZVKMZSQDDSIO-BXUZGUMPSA-N 0 3 264.325 1.983 10 5 CDBEHN COc1cc(F)c([N+](=O)[O-])c(N2CC(N(C)C)C2)c1 ZINC000302014724 274095994 /nfs/dbraw/zinc/09/59/94/274095994.db2.gz LHYBMRBONSTEFN-UHFFFAOYSA-N 0 3 269.276 1.493 10 5 CDBEHN CN1CC[C@H]2OCCN(c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000284577934 290237251 /nfs/dbraw/zinc/23/72/51/290237251.db2.gz OYAWUIZTWXFING-ZIAGYGMSSA-N 0 3 277.324 1.504 10 5 CDBEHN COCC[C@@H](N)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000052792108 521826372 /nfs/dbraw/zinc/82/63/72/521826372.db2.gz DJUGQVPLMYWKRM-MRVPVSSYSA-N 0 3 287.703 1.551 10 5 CDBEHN CC(C)(N)c1cn(CCc2ccccc2[N+](=O)[O-])nn1 ZINC000070118236 519300911 /nfs/dbraw/zinc/30/09/11/519300911.db2.gz PYBSUBBIBONFQI-UHFFFAOYSA-N 0 3 275.312 1.623 10 5 CDBEHN CC(C)NCc1ccc([N+](=O)[O-])c(OC[C@@H](C)C(N)=O)c1 ZINC000050517193 519727302 /nfs/dbraw/zinc/72/73/02/519727302.db2.gz DYNOEOJCPNEYQE-SNVBAGLBSA-N 0 3 295.339 1.593 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(O[C@H](C)C(=O)NC)c1 ZINC000050517004 520001565 /nfs/dbraw/zinc/00/15/65/520001565.db2.gz AZDCXGJTQRMZDS-SECBINFHSA-N 0 3 281.312 1.218 10 5 CDBEHN CC[NH2+][C@@H](C)CC(=O)Nc1ccc([O-])cc1[N+](=O)[O-] ZINC000061270024 520069873 /nfs/dbraw/zinc/06/98/73/520069873.db2.gz JXKFDKWOAYLAJG-QMMMGPOBSA-N 0 3 267.285 1.627 10 5 CDBEHN CCCCNC(=O)[C@H](C)Oc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516492 520669920 /nfs/dbraw/zinc/66/99/20/520669920.db2.gz VNMNMOMMKZSDFH-JTQLQIEISA-N 0 3 295.339 1.737 10 5 CDBEHN COCC[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000052810223 521828270 /nfs/dbraw/zinc/82/82/70/521828270.db2.gz PEOMZERIWGWITO-SECBINFHSA-N 0 3 271.248 1.036 10 5 CDBEHN CN[C@@](C)(COc1cc([N+](=O)[O-])ccc1Cl)C(N)=O ZINC000069508238 522414401 /nfs/dbraw/zinc/41/44/01/522414401.db2.gz RUQTUYUYDKXBHP-NSHDSACASA-N 0 3 287.703 1.090 10 5 CDBEHN CN[C@H](CCSc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000062596655 522463795 /nfs/dbraw/zinc/46/37/95/522463795.db2.gz RXTQAPHYWKTPOI-SNVBAGLBSA-N 0 3 269.326 1.150 10 5 CDBEHN CNC(=O)[C@H](C)CN(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183390749 524093751 /nfs/dbraw/zinc/09/37/51/524093751.db2.gz QGWJLMSIMXIEDR-LLVKDONJSA-N 0 3 279.340 1.717 10 5 CDBEHN C[C@H]1CNC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000069132924 524698850 /nfs/dbraw/zinc/69/88/50/524698850.db2.gz SLUOHPMYUZBXOD-IUCAKERBSA-N 0 3 281.287 1.556 10 5 CDBEHN C[C@@H]1CNC[C@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000069132967 525099082 /nfs/dbraw/zinc/09/90/82/525099082.db2.gz BSWXHTDVLFHEOS-PHIMTYICSA-N 0 3 277.324 1.346 10 5 CDBEHN Cc1cc(OCC[C@H](NC(C)C)C(N)=O)ccc1[N+](=O)[O-] ZINC000062540063 525372588 /nfs/dbraw/zinc/37/25/88/525372588.db2.gz HJGNGBXFDNZOFA-LBPRGKRZSA-N 0 3 295.339 1.524 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(O[C@H](C)C[C@@](C)(N)C(N)=O)c1 ZINC000068651066 526064952 /nfs/dbraw/zinc/06/49/52/526064952.db2.gz WICDRNCQZKNFNS-NOZJJQNGSA-N 0 3 281.312 1.263 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H](C)CNC[C@@H]1C ZINC000069132912 526072243 /nfs/dbraw/zinc/07/22/43/526072243.db2.gz BZOQLZZDLHEPTB-QWRGUYRKSA-N 0 3 277.324 1.726 10 5 CDBEHN N=C(N)c1cc(COc2ccc(F)cc2[N+](=O)[O-])ccn1 ZINC000068762712 526818883 /nfs/dbraw/zinc/81/88/83/526818883.db2.gz MTCNXKFTLJUFLM-UHFFFAOYSA-N 0 3 290.254 1.992 10 5 CDBEHN NCc1ccc([N+](=O)[O-])c(O[C@@H]2CCCCNC2=O)c1 ZINC000050516581 527259341 /nfs/dbraw/zinc/25/93/41/527259341.db2.gz XXXFFWMXWYIGNI-LLVKDONJSA-N 0 3 279.296 1.101 10 5 CDBEHN CC(COC(=O)[C@H]1CCC(=O)[C@H](C)C1(C)C)[N+](=O)[O-] ZINC000813110853 617345824 /nfs/dbraw/zinc/34/58/24/617345824.db2.gz KSRWDSGDINEEBV-KXUCPTDWSA-N 0 3 271.313 1.836 10 5 CDBEHN CC(COC(=O)C[C@H]1OCCc2ccccc21)[N+](=O)[O-] ZINC000813114264 617349032 /nfs/dbraw/zinc/34/90/32/617349032.db2.gz OMFRSDMEARCMGO-ZWNOBZJWSA-N 0 3 279.292 1.899 10 5 CDBEHN C[C@@H]1[C@@H](NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CCN1C ZINC000931607621 618075080 /nfs/dbraw/zinc/07/50/80/618075080.db2.gz LHMNDAROPRIMPG-KCJUWKMLSA-N 0 3 296.302 1.948 10 5 CDBEHN CC(=O)N(C)CCCNCc1csc([N+](=O)[O-])c1 ZINC001722964327 1181500250 /nfs/dbraw/zinc/50/02/50/1181500250.db2.gz LBPSCUFKPPGMHE-UHFFFAOYSA-N 0 3 271.342 1.614 10 5 CDBEHN CC(C)Oc1cccc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813105762 1163803334 /nfs/dbraw/zinc/80/33/34/1163803334.db2.gz UEHFJVNVMHWHBK-VIFPVBQESA-N 0 3 268.269 1.691 10 5 CDBEHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1C ZINC000813106607 1163813504 /nfs/dbraw/zinc/81/35/04/1163813504.db2.gz FDNGBUSBDHVZED-VIFPVBQESA-N 0 3 253.254 1.826 10 5 CDBEHN CC(COC(=O)c1cnc(OCC2CC2)cn1)[N+](=O)[O-] ZINC000813112324 1163816913 /nfs/dbraw/zinc/81/69/13/1163816913.db2.gz FHIBYBQEYWVFPJ-MRVPVSSYSA-N 0 3 281.268 1.087 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](O)CC23CCC3)n1 ZINC001618676371 1165640756 /nfs/dbraw/zinc/64/07/56/1165640756.db2.gz CBPYYZFPUOOCRC-LLVKDONJSA-N 0 3 280.328 1.171 10 5 CDBEHN CCn1c(C)cc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813107387 811338023 /nfs/dbraw/zinc/33/80/23/811338023.db2.gz PVPDOGSFPPRHGS-SECBINFHSA-N 0 3 254.286 1.947 10 5 CDBEHN CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000812879188 811380753 /nfs/dbraw/zinc/38/07/53/811380753.db2.gz MWLBYJGBTVFJMP-UONOGXRCSA-N 0 3 280.324 1.739 10 5 CDBEHN CC(COC(=O)c1cnn(Cc2ccccc2)c1)[N+](=O)[O-] ZINC000813109605 811837996 /nfs/dbraw/zinc/83/79/96/811837996.db2.gz UQPFPOJYKWDXMS-NSHDSACASA-N 0 3 289.291 1.753 10 5 CDBEHN CC(COC(=O)CSC[C@@H]1CCCCO1)[N+](=O)[O-] ZINC000813108791 812070876 /nfs/dbraw/zinc/07/08/76/812070876.db2.gz LTZOHJHNUGHDIH-UWVGGRQHSA-N 0 3 277.342 1.497 10 5 CDBEHN CC(COC(=O)CCNC(=O)C1CCCCC1)[N+](=O)[O-] ZINC000813114027 812221107 /nfs/dbraw/zinc/22/11/07/812221107.db2.gz XVBZKVIPSCGRFC-JTQLQIEISA-N 0 3 286.328 1.281 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928448224 812329337 /nfs/dbraw/zinc/32/93/37/812329337.db2.gz BRGQTVUJCRPPNH-BXKDBHETSA-N 0 3 293.323 1.426 10 5 CDBEHN COc1cccc(CCC(=O)OCC(C)[N+](=O)[O-])c1OC ZINC000813113079 812943798 /nfs/dbraw/zinc/94/37/98/812943798.db2.gz XDTZIJIGZVOWPF-SNVBAGLBSA-N 0 3 297.307 1.845 10 5 CDBEHN C[C@@H]1[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCN1C ZINC000928437322 813390567 /nfs/dbraw/zinc/39/05/67/813390567.db2.gz BYEZPJVWDHJITB-PRHODGIISA-N 0 3 281.287 1.556 10 5 CDBEHN CC(COC(=O)c1ccc(N(C)C)cc1F)[N+](=O)[O-] ZINC000813107273 813805436 /nfs/dbraw/zinc/80/54/36/813805436.db2.gz OHEJZMZGKRBXIS-QMMMGPOBSA-N 0 3 270.260 1.714 10 5 CDBEHN C/C(=C\c1ccccn1)C(=O)OCC(C)[N+](=O)[O-] ZINC000847713833 814407942 /nfs/dbraw/zinc/40/79/42/814407942.db2.gz CXWCUWPOJMFZPL-TTZKWOQHSA-N 0 3 250.254 1.693 10 5 CDBEHN C[C@@H]1[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])CCN1C ZINC000719628398 814508933 /nfs/dbraw/zinc/50/89/33/814508933.db2.gz YRRDBVZVYVOCTM-SFYZADRCSA-N 0 3 281.341 1.809 10 5 CDBEHN CCCCn1ncc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813106082 816899759 /nfs/dbraw/zinc/89/97/59/816899759.db2.gz YAOJDFVBDJHKAO-VIFPVBQESA-N 0 3 269.301 1.814 10 5 CDBEHN Cc1ccc(NC(=O)C2(N)CCOCC2)cc1[N+](=O)[O-] ZINC000132067132 816913971 /nfs/dbraw/zinc/91/39/71/816913971.db2.gz AXNNKLRWDSNTLK-UHFFFAOYSA-N 0 3 279.296 1.350 10 5 CDBEHN CC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])c(F)c1 ZINC000813107006 817047128 /nfs/dbraw/zinc/04/71/28/817047128.db2.gz JZSSHFAIXNMRQD-SSDOTTSWSA-N 0 3 269.228 1.850 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590046593 342520874 /nfs/dbraw/zinc/52/08/74/342520874.db2.gz IHERLVMHIOPZGU-RISCZKNCSA-N 0 3 289.335 1.679 10 5 CDBEHN C[C@H](NC[C@H](O)CC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000599350511 344016396 /nfs/dbraw/zinc/01/63/96/344016396.db2.gz RIZREUPMYDYRGT-SMDDNHRTSA-N 0 3 294.351 1.911 10 5 CDBEHN O=[N+]([O-])c1cccc(CN2CC[C@H](Cn3ccnn3)C2)c1 ZINC000595607262 343107319 /nfs/dbraw/zinc/10/73/19/343107319.db2.gz KCRRXKAMEDPYIL-ZDUSSCGKSA-N 0 3 287.323 1.708 10 5 CDBEHN C[C@@H](CO)[C@H](C)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000273921873 192363870 /nfs/dbraw/zinc/36/38/70/192363870.db2.gz BJJSDZOPIRSTHV-DCAQKATOSA-N 0 3 295.339 1.528 10 5 CDBEHN CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCN(CC)C1 ZINC000598039632 343703320 /nfs/dbraw/zinc/70/33/20/343703320.db2.gz LHPLZVGCPAQRSB-LBPRGKRZSA-N 0 3 292.339 1.546 10 5 CDBEHN O=[N+]([O-])c1cccc(CNC[C@H](O)[C@@H]2CCCO2)c1 ZINC000598989013 343935525 /nfs/dbraw/zinc/93/55/25/343935525.db2.gz XPESXSPTATWJLL-STQMWFEESA-N 0 3 266.297 1.224 10 5 CDBEHN Cc1ccc([C@H](C)N[C@H]2CCOC[C@H]2O)cc1[N+](=O)[O-] ZINC000599081500 343957180 /nfs/dbraw/zinc/95/71/80/343957180.db2.gz NJNSXJWWRSMATP-VHRBIJSZSA-N 0 3 280.324 1.704 10 5 CDBEHN COc1ccc(CN(C)[C@H]2C[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000599645093 344112293 /nfs/dbraw/zinc/11/22/93/344112293.db2.gz OUMAVUXLBMRKHY-PHIMTYICSA-N 0 3 293.323 1.299 10 5 CDBEHN CN1CCC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000610239930 346226946 /nfs/dbraw/zinc/22/69/46/346226946.db2.gz KHIHBTJIPQBAQP-GFCCVEGCSA-N 0 3 277.324 1.348 10 5 CDBEHN O=[N+]([O-])c1ccc(NCCN2CCCCC2)cn1 ZINC000053297667 362674593 /nfs/dbraw/zinc/67/45/93/362674593.db2.gz WHGJHIBVUQEDEK-UHFFFAOYSA-N 0 3 250.302 1.888 10 5 CDBEHN [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1ccc([O-])cc1[N+](=O)[O-] ZINC000085359297 179031741 /nfs/dbraw/zinc/03/17/41/179031741.db2.gz FGWCTGMQNWOIJQ-VHSXEESVSA-N 0 3 279.296 1.756 10 5 CDBEHN CCN1CCC[C@@H]1CNc1ncnc(NC)c1[N+](=O)[O-] ZINC000085538664 179092492 /nfs/dbraw/zinc/09/24/92/179092492.db2.gz BZWUHZYRICMZBW-SECBINFHSA-N 0 3 280.332 1.323 10 5 CDBEHN CN1CCC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000052555141 346466698 /nfs/dbraw/zinc/46/66/98/346466698.db2.gz YFQYOKLRFQEGPK-LBPRGKRZSA-N 0 3 292.339 1.488 10 5 CDBEHN Cc1c([C@H](C)NCCc2nnnn2C)cccc1[N+](=O)[O-] ZINC000611327676 346749159 /nfs/dbraw/zinc/74/91/59/346749159.db2.gz PHTWBPVTWXXDOL-JTQLQIEISA-N 0 3 290.327 1.320 10 5 CDBEHN O=[N+]([O-])c1cccc(Cl)c1OC[C@@H]1CNCCO1 ZINC000236049695 362964517 /nfs/dbraw/zinc/96/45/17/362964517.db2.gz LHJNUMQDBAMJBY-QMMMGPOBSA-N 0 3 272.688 1.615 10 5 CDBEHN Cc1sc(C(=O)NC[C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000110652457 186310674 /nfs/dbraw/zinc/31/06/74/186310674.db2.gz AYTBMHSFCNVUAW-VIFPVBQESA-N 0 3 283.353 1.646 10 5 CDBEHN CN(C)[C@@]1(CNc2ccncc2[N+](=O)[O-])CCSC1 ZINC000360991343 357767094 /nfs/dbraw/zinc/76/70/94/357767094.db2.gz SIWFGLDPCSVLMW-GFCCVEGCSA-N 0 3 282.369 1.261 10 5 CDBEHN Nc1nc(NC2CC(N3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000366505082 363627361 /nfs/dbraw/zinc/62/73/61/363627361.db2.gz JDFQOBXZPUIJSM-UHFFFAOYSA-N 0 3 292.343 1.226 10 5 CDBEHN CCN1CC[C@@H](Nc2nc(C)ccc2[N+](=O)[O-])C1 ZINC000389120802 359373925 /nfs/dbraw/zinc/37/39/25/359373925.db2.gz CELZAJLEGVXTGO-SNVBAGLBSA-N 0 3 250.302 1.804 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCC(c3cc[nH]n3)CC2)c1 ZINC000174839072 364581994 /nfs/dbraw/zinc/58/19/94/364581994.db2.gz YAUUKSDHFSFEER-UHFFFAOYSA-N 0 3 290.327 1.394 10 5 CDBEHN CN(C)[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000170862878 369983652 /nfs/dbraw/zinc/98/36/52/369983652.db2.gz ZSZBQQBJCLJDBI-ZDUSSCGKSA-N 0 3 277.324 1.300 10 5 CDBEHN O=[N+]([O-])c1cc(CNC[C@@H]2CCC[C@H]2O)cs1 ZINC000089162679 370230102 /nfs/dbraw/zinc/23/01/02/370230102.db2.gz LLODWECMUGJEAI-VHSXEESVSA-N 0 3 256.327 1.907 10 5 CDBEHN CN(CCCCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282465223 375088796 /nfs/dbraw/zinc/08/87/96/375088796.db2.gz KGFCNHWWDLHWOM-UHFFFAOYSA-N 0 3 256.277 1.938 10 5 CDBEHN COC[C@@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282549227 375092971 /nfs/dbraw/zinc/09/29/71/375092971.db2.gz XBBYYKYYMLSJBN-ZDUSSCGKSA-N 0 3 268.313 1.076 10 5 CDBEHN C[C@H]1[C@H](O)CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000296274276 375210588 /nfs/dbraw/zinc/21/05/88/375210588.db2.gz OOEOVYZNRAKCSP-SMDDNHRTSA-N 0 3 264.325 1.983 10 5 CDBEHN CNC(=O)[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000421387668 392933138 /nfs/dbraw/zinc/93/31/38/392933138.db2.gz PDQPZCWPORDRPD-AGLBCWCQSA-N 0 3 289.335 1.676 10 5 CDBEHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532397373 393072762 /nfs/dbraw/zinc/07/27/62/393072762.db2.gz QWTPUNURMBTYQJ-RNCFNFMXSA-N 0 3 290.323 1.202 10 5 CDBEHN CO[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[C@H]1C ZINC000251632455 140310219 /nfs/dbraw/zinc/31/02/19/140310219.db2.gz GXWNADMPSBLCJR-DGCLKSJQSA-N 0 3 295.339 1.113 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]3COCC[C@H]32)n1 ZINC000362454224 159152460 /nfs/dbraw/zinc/15/24/60/159152460.db2.gz PPPBXBPXHICJHO-VXGBXAGGSA-N 0 3 280.328 1.292 10 5 CDBEHN CN1CCC[C@@H](CNC(=O)c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000044538538 175199518 /nfs/dbraw/zinc/19/95/18/175199518.db2.gz ZCESULJEZIPLEG-JTQLQIEISA-N 0 3 295.314 1.806 10 5 CDBEHN CN1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000077899921 177308589 /nfs/dbraw/zinc/30/85/89/177308589.db2.gz NOTXIVVHZKTPGB-NSHDSACASA-N 0 3 263.297 1.305 10 5 CDBEHN CN(C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000078596377 177357815 /nfs/dbraw/zinc/35/78/15/177357815.db2.gz BCIVUNFEOGNIDL-NSHDSACASA-N 0 3 295.314 1.900 10 5 CDBEHN CN(C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000078596372 177357892 /nfs/dbraw/zinc/35/78/92/177357892.db2.gz BCIVUNFEOGNIDL-LLVKDONJSA-N 0 3 295.314 1.900 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(N2CCN3CCC[C@@H]3C2)n1 ZINC000178168345 281012981 /nfs/dbraw/zinc/01/29/81/281012981.db2.gz DUZKIRMUNGDJKP-LLVKDONJSA-N 0 3 262.313 1.583 10 5 CDBEHN COc1ccc(CNC[C@H](O)COC(C)C)cc1[N+](=O)[O-] ZINC000550365829 289989188 /nfs/dbraw/zinc/98/91/88/289989188.db2.gz RWRMFILPILXRLJ-LBPRGKRZSA-N 0 3 298.339 1.479 10 5 CDBEHN CN1CC[C@@H]2OCCN(c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000284577920 290169882 /nfs/dbraw/zinc/16/98/82/290169882.db2.gz OYAWUIZTWXFING-KBPBESRZSA-N 0 3 277.324 1.504 10 5 CDBEHN Cc1nc(N2CCO[C@@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000284519084 293299555 /nfs/dbraw/zinc/29/95/55/293299555.db2.gz JXIMOIXHZRDZGF-CHWSQXEVSA-N 0 3 292.339 1.208 10 5 CDBEHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCCC2)n1 ZINC000576806162 317209518 /nfs/dbraw/zinc/20/95/18/317209518.db2.gz JGXHNZMIPRKZQP-JTQLQIEISA-N 0 3 295.343 1.025 10 5 CDBEHN CC(C)OC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000052926335 519772161 /nfs/dbraw/zinc/77/21/61/519772161.db2.gz QFKPSGAIDQFEPW-ZDUSSCGKSA-N 0 3 268.313 1.470 10 5 CDBEHN CCN(CCO)CCNCc1ccc([N+](=O)[O-])cc1C ZINC000184539179 521115486 /nfs/dbraw/zinc/11/54/86/521115486.db2.gz OXPKPDBSAKVMQM-UHFFFAOYSA-N 0 3 281.356 1.307 10 5 CDBEHN CC(C)N[C@@H](CCOc1ccc([N+](=O)[O-])cc1F)C(N)=O ZINC000062540927 519734738 /nfs/dbraw/zinc/73/47/38/519734738.db2.gz RZHLPNIMSBAJAA-NSHDSACASA-N 0 3 299.302 1.355 10 5 CDBEHN CC(C)CNCc1cc([N+](=O)[O-])ccc1OCCO ZINC000062732053 519747204 /nfs/dbraw/zinc/74/72/04/519747204.db2.gz ZIUSTQOBRIWVGF-UHFFFAOYSA-N 0 3 268.313 1.712 10 5 CDBEHN CC[NH2+]C[C@H](C)C(=O)Nc1ccc([O-])cc1[N+](=O)[O-] ZINC000061230432 519967510 /nfs/dbraw/zinc/96/75/10/519967510.db2.gz IBMQOVKTWJSZAS-QMMMGPOBSA-N 0 3 267.285 1.485 10 5 CDBEHN CCN[C@](C)(C[C@@H](C)Oc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000068651524 520237554 /nfs/dbraw/zinc/23/75/54/520237554.db2.gz AVSZUIJLUAXTTG-QMTHXVAHSA-N 0 3 295.339 1.606 10 5 CDBEHN COCC[C@@H](N)C(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000052792078 521825913 /nfs/dbraw/zinc/82/59/13/521825913.db2.gz VTSAVTRDOVCASW-MRVPVSSYSA-N 0 3 271.248 1.036 10 5 CDBEHN CN(C)C[C@H]1CCCN1c1ccc(C=O)cc1[N+](=O)[O-] ZINC000061644950 521873890 /nfs/dbraw/zinc/87/38/90/521873890.db2.gz SJQFVPZODOKESZ-GFCCVEGCSA-N 0 3 277.324 1.938 10 5 CDBEHN CNCc1ccc(OCCCC(=O)NC)c([N+](=O)[O-])c1 ZINC000068816167 522123523 /nfs/dbraw/zinc/12/35/23/522123523.db2.gz JFVFKBAERFUAND-UHFFFAOYSA-N 0 3 281.312 1.219 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(OC2CCOCC2)c1 ZINC000069289269 522125923 /nfs/dbraw/zinc/12/59/23/522125923.db2.gz YHPQJLODYZLOSC-UHFFFAOYSA-N 0 3 266.297 1.872 10 5 CDBEHN CC[C@@H](C)NC(=O)[C@@H](C)Oc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516482 522196110 /nfs/dbraw/zinc/19/61/10/522196110.db2.gz RZLDJAQRINOGDZ-NXEZZACHSA-N 0 3 295.339 1.736 10 5 CDBEHN CN[C@@](C)(COc1ccc([N+](=O)[O-])c(Cl)c1)C(N)=O ZINC000050471949 522413870 /nfs/dbraw/zinc/41/38/70/522413870.db2.gz HKWJYRHLJGNTFY-NSHDSACASA-N 0 3 287.703 1.090 10 5 CDBEHN COC(=O)[C@@H](C)CNCc1cccc([N+](=O)[O-])c1 ZINC000052926352 523513352 /nfs/dbraw/zinc/51/33/52/523513352.db2.gz FTZQBYCRORUSHO-VIFPVBQESA-N 0 3 252.270 1.494 10 5 CDBEHN CCn1ccnc1COc1cc(CN)ccc1[N+](=O)[O-] ZINC000054743581 523541720 /nfs/dbraw/zinc/54/17/20/523541720.db2.gz HCXYBRHKDSUJRR-UHFFFAOYSA-N 0 3 276.296 1.849 10 5 CDBEHN CN1CCCC[C@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000050708164 523797170 /nfs/dbraw/zinc/79/71/70/523797170.db2.gz FUTGHKAPPOORHW-NSHDSACASA-N 0 3 292.339 1.391 10 5 CDBEHN C[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000299908819 524508079 /nfs/dbraw/zinc/50/80/79/524508079.db2.gz VWCZPBSFCRGFPU-BXUZGUMPSA-N 0 3 264.325 1.840 10 5 CDBEHN C[C@@H](CN1CCOCC1)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000049504657 524628390 /nfs/dbraw/zinc/62/83/90/524628390.db2.gz AQXKANCYOSZFAO-NSHDSACASA-N 0 3 297.330 1.544 10 5 CDBEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000069133193 525101691 /nfs/dbraw/zinc/10/16/91/525101691.db2.gz SEWZBHWIMUTVSG-OCAPTIKFSA-N 0 3 253.258 1.010 10 5 CDBEHN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN2CCC[C@@H]2C1 ZINC000049515913 526715065 /nfs/dbraw/zinc/71/50/65/526715065.db2.gz GZZNBVZLRITIRC-CYBMUJFWSA-N 0 3 275.308 1.515 10 5 CDBEHN CCN1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000105807528 535575040 /nfs/dbraw/zinc/57/50/40/535575040.db2.gz YTYYSPOBTXKXOQ-ZDUSSCGKSA-N 0 3 291.351 1.738 10 5 CDBEHN CC(COC(=O)c1cc(C(C)(C)C)nn1C)[N+](=O)[O-] ZINC000813107142 617343559 /nfs/dbraw/zinc/34/35/59/617343559.db2.gz KPEYFRWCVIVCKW-MRVPVSSYSA-N 0 3 269.301 1.540 10 5 CDBEHN COCc1ccccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109323 617345522 /nfs/dbraw/zinc/34/55/22/617345522.db2.gz IBHXDIUXUFPYPR-VIFPVBQESA-N 0 3 253.254 1.655 10 5 CDBEHN CC(COC(=O)c1ccc2c(c1)CCO2)[N+](=O)[O-] ZINC000813114361 617349105 /nfs/dbraw/zinc/34/91/05/617349105.db2.gz QSETZYIMTZQNRA-MRVPVSSYSA-N 0 3 251.238 1.444 10 5 CDBEHN C/C(=C/c1ccncc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000847714247 617559121 /nfs/dbraw/zinc/55/91/21/617559121.db2.gz OAWAWLROYAALAI-UJICNMFASA-N 0 3 250.254 1.693 10 5 CDBEHN O=[N+]([O-])c1ccccc1C[C@@H](N[C@H]1CNOC1)C1CC1 ZINC000925870803 617929724 /nfs/dbraw/zinc/92/97/24/617929724.db2.gz JDHBTTDMFKUIEI-QWHCGFSZSA-N 0 3 277.324 1.409 10 5 CDBEHN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)n1 ZINC001636274607 1166666217 /nfs/dbraw/zinc/66/62/17/1166666217.db2.gz LPCGEZFQERUCMS-GXFFZTMASA-N 0 3 290.323 1.074 10 5 CDBEHN C[C@]1(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CN2CCC1CC2 ZINC001641191905 1167086356 /nfs/dbraw/zinc/08/63/56/1167086356.db2.gz DIAVMBCHQLZNGV-ZDUSSCGKSA-N 0 3 278.312 1.137 10 5 CDBEHN CC(=O)N(C)CCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001700181542 1176784618 /nfs/dbraw/zinc/78/46/18/1176784618.db2.gz BGCJAQUWTQIFCX-UHFFFAOYSA-N 0 3 279.340 1.895 10 5 CDBEHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](C)C1 ZINC001629369036 1166134348 /nfs/dbraw/zinc/13/43/48/1166134348.db2.gz USCKGSQWFFXLAI-SNVBAGLBSA-N 0 3 280.328 1.479 10 5 CDBEHN Cc1ccc(CNC[C@@H](O)c2ccnn2C)cc1[N+](=O)[O-] ZINC000922974808 818328448 /nfs/dbraw/zinc/32/84/48/818328448.db2.gz YXJJWKSCCFMLQX-CQSZACIVSA-N 0 3 290.323 1.460 10 5 CDBEHN C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000778140769 818507444 /nfs/dbraw/zinc/50/74/44/818507444.db2.gz FASKWSUVVVJKGE-TVQRCGJNSA-N 0 3 276.296 1.702 10 5 CDBEHN COc1cc(NC[C@H]2CNCCO2)c([N+](=O)[O-])cc1OC ZINC000213711725 818802470 /nfs/dbraw/zinc/80/24/70/818802470.db2.gz ZICVYXCOYDDWBD-SECBINFHSA-N 0 3 297.311 1.012 10 5 CDBEHN CC(COC(=O)c1cnc([C@@H]2CCCO2)s1)[N+](=O)[O-] ZINC000813112434 818981692 /nfs/dbraw/zinc/98/16/92/818981692.db2.gz PYGYFKKHJDDGEB-SFYZADRCSA-N 0 3 286.309 1.817 10 5 CDBEHN CC(COC(=O)[C@H](c1ccccc1)n1cccn1)[N+](=O)[O-] ZINC000813112929 819186087 /nfs/dbraw/zinc/18/60/87/819186087.db2.gz MGOBMIXXGKUJCP-YPMHNXCESA-N 0 3 289.291 1.681 10 5 CDBEHN CCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CCN(C)C1 ZINC000855359801 819800429 /nfs/dbraw/zinc/80/04/29/819800429.db2.gz CJMRXRLOAPPPLM-LLVKDONJSA-N 0 3 292.339 1.343 10 5 CDBEHN CC(C)Oc1cc(C(=O)OCC(C)[N+](=O)[O-])ccn1 ZINC000813109176 820508558 /nfs/dbraw/zinc/50/85/58/820508558.db2.gz GPJFDEYHWLFDQF-VIFPVBQESA-N 0 3 268.269 1.691 10 5 CDBEHN O=[N+]([O-])c1cc(Cl)c(OC[C@H]2CNCCO2)cc1F ZINC000311609942 820877133 /nfs/dbraw/zinc/87/71/33/820877133.db2.gz QEIHGLIBVBRRKT-SSDOTTSWSA-N 0 3 290.678 1.755 10 5 CDBEHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000813109465 821390730 /nfs/dbraw/zinc/39/07/30/821390730.db2.gz UAYGPUXQWSVMDA-UWVGGRQHSA-N 0 3 281.312 1.985 10 5 CDBEHN O=C(c1cc([N+](=O)[O-])ccc1F)N1CCN2CCC[C@H]2C1 ZINC000038107490 821869274 /nfs/dbraw/zinc/86/92/74/821869274.db2.gz NZWIZHIQLBVFFO-NSHDSACASA-N 0 3 293.298 1.654 10 5 CDBEHN C[C@@H](NC[C@@H](O)c1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000927136848 821880567 /nfs/dbraw/zinc/88/05/67/821880567.db2.gz JTEICRWTLQGWJV-QMTHXVAHSA-N 0 3 290.323 1.713 10 5 CDBEHN CCCCn1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1 ZINC000813114305 821914490 /nfs/dbraw/zinc/91/44/90/821914490.db2.gz PHKWOTLRWHVWPF-VIFPVBQESA-N 0 3 269.301 1.814 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN1C[C@H](CCO)[C@H](CO)C1 ZINC001648634437 1169144165 /nfs/dbraw/zinc/14/41/65/1169144165.db2.gz FWWOLTUROBPTOP-AAEUAGOBSA-N 0 3 280.324 1.018 10 5 CDBEHN O=[N+]([O-])c1cc(F)ccc1N1CC(N[C@H]2CCOC2)C1 ZINC001164234758 939436911 /nfs/dbraw/zinc/43/69/11/939436911.db2.gz VBUZFVJAIGOORA-JTQLQIEISA-N 0 3 281.287 1.301 10 5 CDBEHN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)C[C@H]2CCCN2C)n1 ZINC001536840095 969634464 /nfs/dbraw/zinc/63/44/64/969634464.db2.gz NVAIPGXKDWNVHY-LLVKDONJSA-N 0 3 292.339 1.464 10 5 CDBEHN O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H](N2CCCC2)C1 ZINC000601111257 342468815 /nfs/dbraw/zinc/46/88/15/342468815.db2.gz PUGRPEDMEFLBEQ-LLVKDONJSA-N 0 3 280.303 1.803 10 5 CDBEHN CN(C[C@H]1CCCN(C)C1)c1ncc(F)cc1[N+](=O)[O-] ZINC000601116282 342470790 /nfs/dbraw/zinc/47/07/90/342470790.db2.gz KQLIENCQDQXDOK-JTQLQIEISA-N 0 3 282.319 1.907 10 5 CDBEHN CN1C[C@H]2[C@@H](CCN2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000590011693 342519803 /nfs/dbraw/zinc/51/98/03/342519803.db2.gz MKBCRSWGPWJNPR-FZMZJTMJSA-N 0 3 279.315 1.870 10 5 CDBEHN CN1C[C@H]2[C@@H](CCN2C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000590046943 342520986 /nfs/dbraw/zinc/52/09/86/342520986.db2.gz OSEPGRQBJOGYPG-JSGCOSHPSA-N 0 3 289.335 1.300 10 5 CDBEHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000590442080 342546160 /nfs/dbraw/zinc/54/61/60/342546160.db2.gz GEQSVFJYUXKHQG-ZANVPECISA-N 0 3 293.298 1.510 10 5 CDBEHN CCN1CCC[C@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000127044556 342007861 /nfs/dbraw/zinc/00/78/61/342007861.db2.gz ZGBMTJBRRPJHMP-JTQLQIEISA-N 0 3 250.302 1.886 10 5 CDBEHN COc1ncncc1CNCCc1ccccc1[N+](=O)[O-] ZINC000592364020 342689304 /nfs/dbraw/zinc/68/93/04/342689304.db2.gz PDXUACZISZAHGM-UHFFFAOYSA-N 0 3 288.307 1.726 10 5 CDBEHN O=[N+]([O-])c1cnccc1N[C@@H]1CCN(CC2CC2)C1 ZINC000609384336 342267928 /nfs/dbraw/zinc/26/79/28/342267928.db2.gz KRYFNBXXDRLEOO-LLVKDONJSA-N 0 3 262.313 1.308 10 5 CDBEHN CN1C[C@@H](CNCc2ccccc2[N+](=O)[O-])CC1=O ZINC000594983861 342993719 /nfs/dbraw/zinc/99/37/19/342993719.db2.gz PXZBITCVLBACBX-SNVBAGLBSA-N 0 3 263.297 1.163 10 5 CDBEHN NC1(C(=O)NCc2cccc([N+](=O)[O-])c2)CC2(CCC2)C1 ZINC000595251200 343011051 /nfs/dbraw/zinc/01/10/51/343011051.db2.gz ZPNUKRCCAIXTAW-UHFFFAOYSA-N 0 3 289.335 1.873 10 5 CDBEHN COc1cc(CN[C@@H](CO)C2CCC2)c([N+](=O)[O-])cc1F ZINC000595616371 343110235 /nfs/dbraw/zinc/11/02/35/343110235.db2.gz MYAHFOJTGLNQEY-LBPRGKRZSA-N 0 3 298.314 1.993 10 5 CDBEHN CCCN1CC[C@H](NC(=O)c2nn(CC)cc2[N+](=O)[O-])C1 ZINC000598341627 343770098 /nfs/dbraw/zinc/77/00/98/343770098.db2.gz DZMCGRGZAHJAPF-JTQLQIEISA-N 0 3 295.343 1.025 10 5 CDBEHN COc1ccc(CNC[C@H]2COCCN2C)cc1[N+](=O)[O-] ZINC000599002859 343937169 /nfs/dbraw/zinc/93/71/69/343937169.db2.gz CQHIXYLPMHAZCM-LBPRGKRZSA-N 0 3 295.339 1.024 10 5 CDBEHN COc1ccc(CNC[C@H](O)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000598991378 343935826 /nfs/dbraw/zinc/93/58/26/343935826.db2.gz YECPLZMRFODPNV-JSGCOSHPSA-N 0 3 296.323 1.233 10 5 CDBEHN Cc1cc(N2CCN3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000405213938 345415633 /nfs/dbraw/zinc/41/56/33/345415633.db2.gz JEPGIEISBDSLSG-QWHCGFSZSA-N 0 3 277.324 1.158 10 5 CDBEHN Cc1c([C@@H](C)NCCc2nnnn2C)cccc1[N+](=O)[O-] ZINC000611327677 346749061 /nfs/dbraw/zinc/74/90/61/346749061.db2.gz PHTWBPVTWXXDOL-SNVBAGLBSA-N 0 3 290.327 1.320 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCc1nnnn1C ZINC000611327413 346749111 /nfs/dbraw/zinc/74/91/11/346749111.db2.gz BSOIPJULXJCDCL-JTQLQIEISA-N 0 3 290.327 1.320 10 5 CDBEHN O=[N+]([O-])c1ccccc1CNCCC1CS(=O)(=O)C1 ZINC000615728161 348653209 /nfs/dbraw/zinc/65/32/09/348653209.db2.gz KVJKCTHEFXOMEE-UHFFFAOYSA-N 0 3 284.337 1.119 10 5 CDBEHN CCN1CC[C@H](Nc2c([N+](=O)[O-])c(C)nn2CC)C1 ZINC000389459248 362940915 /nfs/dbraw/zinc/94/09/15/362940915.db2.gz RVYGOUXSXANHAN-JTQLQIEISA-N 0 3 267.333 1.626 10 5 CDBEHN O=[N+]([O-])c1ccccc1OCCN1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111316777 186396344 /nfs/dbraw/zinc/39/63/44/186396344.db2.gz BCENFJGZMLLFKV-FUNVUKJBSA-N 0 3 292.335 1.961 10 5 CDBEHN COCC[C@@H](COC)NCc1cccc([N+](=O)[O-])c1 ZINC000336817207 356285877 /nfs/dbraw/zinc/28/58/77/356285877.db2.gz PETMSJYDRUYEOP-LBPRGKRZSA-N 0 3 268.313 1.736 10 5 CDBEHN C[C@H]1OCC[C@H]1N(CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000361558854 358319372 /nfs/dbraw/zinc/31/93/72/358319372.db2.gz YVKPJUHEJCRPQN-IUODEOHRSA-N 0 3 294.351 1.609 10 5 CDBEHN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](C)CO ZINC000450738929 358995790 /nfs/dbraw/zinc/99/57/90/358995790.db2.gz OYOQFEWKUSKJIF-RKDXNWHRSA-N 0 3 278.312 1.578 10 5 CDBEHN Cc1c(OC[C@@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000080745193 359002573 /nfs/dbraw/zinc/00/25/73/359002573.db2.gz QVHZMGKRIYXQML-JTQLQIEISA-N 0 3 252.270 1.270 10 5 CDBEHN O=[N+]([O-])c1cnc2c(c1)CN(CCCn1ccnc1)CC2 ZINC000347782220 359637688 /nfs/dbraw/zinc/63/76/88/359637688.db2.gz IMUSNHQVFOEGNJ-UHFFFAOYSA-N 0 3 287.323 1.635 10 5 CDBEHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])nc2)CCN1C ZINC000090795246 360222153 /nfs/dbraw/zinc/22/21/53/360222153.db2.gz NFBBGNOTMHUSEU-NXEZZACHSA-N 0 3 250.302 1.884 10 5 CDBEHN Cc1c(C(=O)N2CC[C@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000170863053 369978396 /nfs/dbraw/zinc/97/83/96/369978396.db2.gz LIBURNFKXIPHDI-NSHDSACASA-N 0 3 277.324 1.679 10 5 CDBEHN CC(C)[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000432780018 390490504 /nfs/dbraw/zinc/49/05/04/390490504.db2.gz JJRYJUHXFLBRFZ-YPMHNXCESA-N 0 3 294.355 1.493 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@@H]2CNCCC2(F)F)cc1 ZINC000415005223 391239891 /nfs/dbraw/zinc/23/98/91/391239891.db2.gz RIKJYDGAJYCQSL-LLVKDONJSA-N 0 3 271.267 1.682 10 5 CDBEHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1CCO ZINC000418112299 392876151 /nfs/dbraw/zinc/87/61/51/392876151.db2.gz LJWFXUGXOAFCOQ-STQMWFEESA-N 0 3 293.367 1.482 10 5 CDBEHN CN(C[C@H]1CCCN1C)c1ccncc1[N+](=O)[O-] ZINC000420644528 392921344 /nfs/dbraw/zinc/92/13/44/392921344.db2.gz ZDPYJGIFSRWIQE-SNVBAGLBSA-N 0 3 250.302 1.520 10 5 CDBEHN O=C(CNC1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000037386735 173170119 /nfs/dbraw/zinc/17/01/19/173170119.db2.gz GCZQYUJUQROVIL-UHFFFAOYSA-N 0 3 253.233 1.424 10 5 CDBEHN N[C@@H](c1csc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300107 175001212 /nfs/dbraw/zinc/00/12/12/175001212.db2.gz DAVHBSAVVOOJNB-IMTBSYHQSA-N 0 3 276.339 1.091 10 5 CDBEHN CCNCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000044286710 175159484 /nfs/dbraw/zinc/15/94/84/175159484.db2.gz VBIULVNXDPCUDW-UHFFFAOYSA-N 0 3 253.258 1.151 10 5 CDBEHN CCNCc1cc([N+](=O)[O-])ccc1O[C@@H]1CCN(C)C1=O ZINC000071182978 176058083 /nfs/dbraw/zinc/05/80/83/176058083.db2.gz YICIQMJDDYCBDV-CYBMUJFWSA-N 0 3 293.323 1.314 10 5 CDBEHN CN(C[C@H]1CCN(C)C1)c1ccc([N+](=O)[O-])cc1C=O ZINC000071189467 176065070 /nfs/dbraw/zinc/06/50/70/176065070.db2.gz DGYMBHDRLTWIDS-NSHDSACASA-N 0 3 277.324 1.795 10 5 CDBEHN C[C@@H]1COCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000280640952 274380123 /nfs/dbraw/zinc/38/01/23/274380123.db2.gz RGXUXKNRCHBRNY-MWLCHTKSSA-N 0 3 290.323 1.986 10 5 CDBEHN COC[C@@](C)(O)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514873897 280854635 /nfs/dbraw/zinc/85/46/35/280854635.db2.gz ZYDIIVUIRNODHO-ZFWWWQNUSA-N 0 3 294.351 1.959 10 5 CDBEHN C[C@@H]1C[C@@H](N(C)c2ncccc2[N+](=O)[O-])CCN1C ZINC000266192447 297259524 /nfs/dbraw/zinc/25/95/24/297259524.db2.gz BTWDQHRNJOLUIJ-MNOVXSKESA-N 0 3 264.329 1.909 10 5 CDBEHN CCCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000576776522 317206377 /nfs/dbraw/zinc/20/63/77/317206377.db2.gz QCHGJYIEHTUYJV-NSHDSACASA-N 0 3 292.339 1.594 10 5 CDBEHN CCNc1ccc([N+](=O)[O-])c(C(=O)NCCN(C)C)c1 ZINC000050725913 520326966 /nfs/dbraw/zinc/32/69/66/520326966.db2.gz IIFGCGOAXMVQLL-UHFFFAOYSA-N 0 3 280.328 1.318 10 5 CDBEHN CC(C)N(CCCO)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050818055 519644329 /nfs/dbraw/zinc/64/43/29/519644329.db2.gz YESGGGRPPWADFV-UHFFFAOYSA-N 0 3 267.329 1.770 10 5 CDBEHN CCNC(=O)[C@H](C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000049200750 521745389 /nfs/dbraw/zinc/74/53/89/521745389.db2.gz LNLCZWHFNHTIMF-JTQLQIEISA-N 0 3 281.312 1.088 10 5 CDBEHN COCC[C@@H](N)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000052792404 521825784 /nfs/dbraw/zinc/82/57/84/521825784.db2.gz NIBNIRIUVIPZCC-SECBINFHSA-N 0 3 271.248 1.036 10 5 CDBEHN CN[C@@](C)(C[C@H](C)Oc1cc(F)ccc1[N+](=O)[O-])C(N)=O ZINC000068651177 522419872 /nfs/dbraw/zinc/41/98/72/522419872.db2.gz BHBDAZQCPRDZHD-SDBXPKJASA-N 0 3 299.302 1.355 10 5 CDBEHN CN[C@H](CCOc1cc(Cl)ccc1[N+](=O)[O-])C(N)=O ZINC000062595830 522462101 /nfs/dbraw/zinc/46/21/01/522462101.db2.gz UYIFWVMKKHGHMS-MRVPVSSYSA-N 0 3 287.703 1.090 10 5 CDBEHN COC(=O)[C@@H](C)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000062727269 523502142 /nfs/dbraw/zinc/50/21/42/523502142.db2.gz FNEVUIBMAFFHFG-NSHDSACASA-N 0 3 280.324 1.878 10 5 CDBEHN CN1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2N)C1 ZINC000052840753 523845626 /nfs/dbraw/zinc/84/56/26/523845626.db2.gz GLQUDSLZEDZTNI-VIFPVBQESA-N 0 3 250.302 1.683 10 5 CDBEHN CN1CC[C@@H](CNc2ncnc(Cl)c2[N+](=O)[O-])C1 ZINC000050455169 523962358 /nfs/dbraw/zinc/96/23/58/523962358.db2.gz BGNRYFCTOVNBKQ-ZETCQYMHSA-N 0 3 271.708 1.402 10 5 CDBEHN NC[C@@H]1OCCN(C2CC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000070289110 527220966 /nfs/dbraw/zinc/22/09/66/527220966.db2.gz XICGAEHNPCBQKS-UONOGXRCSA-N 0 3 277.324 1.458 10 5 CDBEHN NCc1ccc(OC[C@@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000068875776 527256938 /nfs/dbraw/zinc/25/69/38/527256938.db2.gz BQANRHMWVCFWSA-SECBINFHSA-N 0 3 280.202 1.356 10 5 CDBEHN NCc1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000050445341 527262191 /nfs/dbraw/zinc/26/21/91/527262191.db2.gz JZLJRGWRTIFPGV-UHFFFAOYSA-N 0 3 267.676 1.347 10 5 CDBEHN Cc1nccn1CCOc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516167 527432954 /nfs/dbraw/zinc/43/29/54/527432954.db2.gz JPJLLBCPIKWNRB-UHFFFAOYSA-N 0 3 276.296 1.637 10 5 CDBEHN COc1ccc(C(C)=O)cc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813102157 617342054 /nfs/dbraw/zinc/34/20/54/617342054.db2.gz OLXZFSFKBXEMHT-VIFPVBQESA-N 0 3 295.291 1.649 10 5 CDBEHN CCC[C@@H]1C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CCO1 ZINC000813113928 617347676 /nfs/dbraw/zinc/34/76/76/617347676.db2.gz WLMWBJZFPXXGBJ-OUAUKWLOSA-N 0 3 259.302 1.790 10 5 CDBEHN C[C@@H](NCCOCCCO)c1cccc([N+](=O)[O-])c1 ZINC000353973789 1167335771 /nfs/dbraw/zinc/33/57/71/1167335771.db2.gz QNCHHGVHLQZDOL-LLVKDONJSA-N 0 3 268.313 1.644 10 5 CDBEHN CCN1CCC[C@@H]1CNc1nn(C)cc1[N+](=O)[O-] ZINC000231667039 1178173425 /nfs/dbraw/zinc/17/34/25/1178173425.db2.gz WWDRCGLSXDFHQM-SECBINFHSA-N 0 3 253.306 1.225 10 5 CDBEHN CC(COC(=O)/C=C\c1ccc(Cl)nc1)[N+](=O)[O-] ZINC000813105469 1163814712 /nfs/dbraw/zinc/81/47/12/1163814712.db2.gz ZRQPLIAUYVCXPX-NHLYECAPSA-N 0 3 270.672 1.957 10 5 CDBEHN Cc1nn(CC(F)(F)F)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813111458 824254138 /nfs/dbraw/zinc/25/41/38/824254138.db2.gz HQQDJMXOXLUIMW-LURJTMIESA-N 0 3 295.217 1.576 10 5 CDBEHN COc1ccccc1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813113953 825289903 /nfs/dbraw/zinc/28/99/03/825289903.db2.gz WWZHGSYERFXXDO-JTQLQIEISA-N 0 3 267.281 1.836 10 5 CDBEHN CCN1CCO[C@H](CNCc2cccc([N+](=O)[O-])c2C)C1 ZINC000134617119 825456700 /nfs/dbraw/zinc/45/67/00/825456700.db2.gz BNZTWPBLPGRZPW-CQSZACIVSA-N 0 3 293.367 1.714 10 5 CDBEHN CC(COC(=O)c1ccc(O[C@H]2CCOC2)cc1)[N+](=O)[O-] ZINC000813102655 826000260 /nfs/dbraw/zinc/00/02/60/826000260.db2.gz IFLLZFOXKDNIJB-MFKMUULPSA-N 0 3 295.291 1.676 10 5 CDBEHN CC(COC(=O)[C@H](C)NC(=O)CC(C)(C)C)[N+](=O)[O-] ZINC000813104035 826912955 /nfs/dbraw/zinc/91/29/55/826912955.db2.gz WNHVFDIEKLDGTP-IUCAKERBSA-N 0 3 274.317 1.136 10 5 CDBEHN CC(COC(=O)c1ccc2c(c1)COC2)[N+](=O)[O-] ZINC000813115567 827099150 /nfs/dbraw/zinc/09/91/50/827099150.db2.gz VNDIMKBDLPGFMJ-MRVPVSSYSA-N 0 3 251.238 1.539 10 5 CDBEHN CC(COC(=O)c1scnc1C1CC1)[N+](=O)[O-] ZINC000813110251 827142883 /nfs/dbraw/zinc/14/28/83/827142883.db2.gz VRRZYEXNQHNEHP-LURJTMIESA-N 0 3 256.283 1.843 10 5 CDBEHN CC(COC(=O)c1cncc(Br)c1)[N+](=O)[O-] ZINC000813112326 827454909 /nfs/dbraw/zinc/45/49/09/827454909.db2.gz FIBRYMZSFVCQKD-LURJTMIESA-N 0 3 289.085 1.666 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)c3csc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590045260 342520653 /nfs/dbraw/zinc/52/06/53/342520653.db2.gz OIRXTEVWWJJQIB-SCZZXKLOSA-N 0 3 281.337 1.432 10 5 CDBEHN C[C@@H]1CCN(CC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000590426069 342545188 /nfs/dbraw/zinc/54/51/88/342545188.db2.gz HSKMCSFSDXWMLO-LLVKDONJSA-N 0 3 277.324 1.553 10 5 CDBEHN Cc1ccc(NC(=O)[C@@H]2CNCCOC2)cc1[N+](=O)[O-] ZINC000591590349 342635674 /nfs/dbraw/zinc/63/56/74/342635674.db2.gz RBAPCPDNZIFQKE-SNVBAGLBSA-N 0 3 279.296 1.078 10 5 CDBEHN COC[C@H](CCNCc1cccc([N+](=O)[O-])c1)OC ZINC000594953427 342982630 /nfs/dbraw/zinc/98/26/30/342982630.db2.gz SNXLHECOIZVTLC-ZDUSSCGKSA-N 0 3 268.313 1.736 10 5 CDBEHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000594920847 342987291 /nfs/dbraw/zinc/98/72/91/342987291.db2.gz AZDIDRMTJHHECF-ZWKOPEQDSA-N 0 3 278.308 1.882 10 5 CDBEHN N[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595233294 343016693 /nfs/dbraw/zinc/01/66/93/343016693.db2.gz LDPVYKZUMHNANH-GHMZBOCLSA-N 0 3 282.275 1.498 10 5 CDBEHN C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000595779731 343149752 /nfs/dbraw/zinc/14/97/52/343149752.db2.gz HBLBWQYLXIMCIP-MNOVXSKESA-N 0 3 268.317 1.291 10 5 CDBEHN COc1cccc([N+](=O)[O-])c1N1CCNC[C@@](C)(F)C1 ZINC000596014334 343218630 /nfs/dbraw/zinc/21/86/30/343218630.db2.gz NQYXVEDUNCPFNX-CYBMUJFWSA-N 0 3 283.303 1.741 10 5 CDBEHN Cc1ccc(CN(C)CC2CN(C)C2)cc1[N+](=O)[O-] ZINC000597203924 343473493 /nfs/dbraw/zinc/47/34/93/343473493.db2.gz YYEQQVUNDROEJI-UHFFFAOYSA-N 0 3 263.341 1.897 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H](O)[C@@H]1CCCO1 ZINC000598991132 343935290 /nfs/dbraw/zinc/93/52/90/343935290.db2.gz VOHUXRGWABNEGH-KGLIPLIRSA-N 0 3 280.324 1.533 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H](O)[C@@H]1CCCO1 ZINC000598991130 343935494 /nfs/dbraw/zinc/93/54/94/343935494.db2.gz VOHUXRGWABNEGH-KBPBESRZSA-N 0 3 280.324 1.533 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1C[C@H](C(N)=O)C1 ZINC000599070297 343949141 /nfs/dbraw/zinc/94/91/41/343949141.db2.gz KSIMADFMWZSOFR-DCAQKATOSA-N 0 3 277.324 1.818 10 5 CDBEHN C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H](C)CO ZINC000265851765 362615193 /nfs/dbraw/zinc/61/51/93/362615193.db2.gz IEWVWCNRFJNIDL-NXEZZACHSA-N 0 3 296.323 1.568 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCNCC1(C)C ZINC000088139049 346014199 /nfs/dbraw/zinc/01/41/99/346014199.db2.gz PNPKDFCQHVGFDC-UHFFFAOYSA-N 0 3 277.324 1.727 10 5 CDBEHN O=[N+]([O-])c1ccc2nc([S@](=O)C3CC[NH2+]CC3)[n-]c2c1 ZINC000095092115 365895866 /nfs/dbraw/zinc/89/58/66/365895866.db2.gz GXPAHJZPOREVLL-FQEVSTJZSA-N 0 3 294.336 1.331 10 5 CDBEHN O=[N+]([O-])c1ccc2[n-]c([S@](=O)C3CC[NH2+]CC3)nc2c1 ZINC000095092115 365895871 /nfs/dbraw/zinc/89/58/71/365895871.db2.gz GXPAHJZPOREVLL-FQEVSTJZSA-N 0 3 294.336 1.331 10 5 CDBEHN COC(=O)c1ccc([N+](=O)[O-])c(NC2CCN(C)CC2)c1 ZINC000136295011 362965141 /nfs/dbraw/zinc/96/51/41/362965141.db2.gz HKTMPWJKBPJPBX-UHFFFAOYSA-N 0 3 293.323 1.888 10 5 CDBEHN Cc1sc(C(=O)NC[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000110652461 186311281 /nfs/dbraw/zinc/31/12/81/186311281.db2.gz AYTBMHSFCNVUAW-SECBINFHSA-N 0 3 283.353 1.646 10 5 CDBEHN COC1CCN(CCNc2ccncc2[N+](=O)[O-])CC1 ZINC000080250300 351042322 /nfs/dbraw/zinc/04/23/22/351042322.db2.gz CLZIRPDWUJZMBY-UHFFFAOYSA-N 0 3 280.328 1.513 10 5 CDBEHN Cc1cc(OC[C@H]2CNCCO2)c(F)cc1[N+](=O)[O-] ZINC000123455240 351263624 /nfs/dbraw/zinc/26/36/24/351263624.db2.gz ITLXTASEGJZSES-SECBINFHSA-N 0 3 270.260 1.410 10 5 CDBEHN C[C@@H](O)C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154224056 188130345 /nfs/dbraw/zinc/13/03/45/188130345.db2.gz WFYHEUJDJIPRKG-ABAIWWIYSA-N 0 3 294.351 1.721 10 5 CDBEHN CC[C@H]1CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000292568321 198335959 /nfs/dbraw/zinc/33/59/59/198335959.db2.gz ZTKYLGAOWWCTGH-WCQYABFASA-N 0 3 280.324 1.819 10 5 CDBEHN NC(=O)C1CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000037900194 356268322 /nfs/dbraw/zinc/26/83/22/356268322.db2.gz PZKBXOOBSIIEQL-UHFFFAOYSA-N 0 3 277.324 1.729 10 5 CDBEHN C[C@H]1C[C@H](O)CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000401688936 356427003 /nfs/dbraw/zinc/42/70/03/356427003.db2.gz DPQUOFJANPNXCJ-FZMZJTMJSA-N 0 3 264.325 1.840 10 5 CDBEHN C[C@H]1C[C@H](Nc2ccncc2[N+](=O)[O-])CN1C1CC1 ZINC000361062457 357790772 /nfs/dbraw/zinc/79/07/72/357790772.db2.gz LYSHJOBGRQBLEZ-UWVGGRQHSA-N 0 3 262.313 1.449 10 5 CDBEHN C[C@@H](CN1CCC[C@@H](C)C1)Nc1ccncc1[N+](=O)[O-] ZINC000340155363 359579810 /nfs/dbraw/zinc/57/98/10/359579810.db2.gz RZMXODNEOLAIBE-NEPJUHHUSA-N 0 3 278.356 1.944 10 5 CDBEHN C[C@@H]1C[C@@H](Nc2ccncc2[N+](=O)[O-])CCN1C ZINC000090795000 368132584 /nfs/dbraw/zinc/13/25/84/368132584.db2.gz QVUNENJEOUXDRW-ZJUUUORDSA-N 0 3 250.302 1.884 10 5 CDBEHN O=[N+]([O-])c1cccc(CN2CC[C@H]3OCCN[C@@H]3C2)c1 ZINC000404065939 373303992 /nfs/dbraw/zinc/30/39/92/373303992.db2.gz BCELETPXQCCTNY-ZIAGYGMSSA-N 0 3 277.324 1.158 10 5 CDBEHN O=[N+]([O-])c1ccc(CCN2CC[C@@H](c3nnc[nH]3)C2)cc1 ZINC000425541066 374444362 /nfs/dbraw/zinc/44/43/62/374444362.db2.gz FPCIASHFLZGVHM-GFCCVEGCSA-N 0 3 287.323 1.745 10 5 CDBEHN O=[N+]([O-])c1cccnc1[S@](=O)C[C@@H]1CCCCN1 ZINC000095091881 374868260 /nfs/dbraw/zinc/86/82/60/374868260.db2.gz NERBZQKUQCJNRZ-YYSFKGJASA-N 0 3 269.326 1.240 10 5 CDBEHN O=[N+]([O-])c1ccc(CN2CC[C@@H](CCO)C2)cc1 ZINC000227568911 375564072 /nfs/dbraw/zinc/56/40/72/375564072.db2.gz CJKYXWCEFDLFNS-LBPRGKRZSA-N 0 3 250.298 1.799 10 5 CDBEHN COc1cc(CN(C)CC2(O)CCC2)ccc1[N+](=O)[O-] ZINC000353484046 375616076 /nfs/dbraw/zinc/61/60/76/375616076.db2.gz POVZRHBEUDUJFV-UHFFFAOYSA-N 0 3 280.324 1.950 10 5 CDBEHN C[C@@H]1C[C@H](C)N1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000547769354 377835875 /nfs/dbraw/zinc/83/58/75/377835875.db2.gz IUZYRPHIFRBQEC-TUAOUCFPSA-N 0 3 280.324 1.817 10 5 CDBEHN COCCNCCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000215518677 140161647 /nfs/dbraw/zinc/16/16/47/140161647.db2.gz DAAZUFHXMATXCM-UHFFFAOYSA-N 0 3 273.720 1.896 10 5 CDBEHN Cc1cc(C(=O)N2CCN3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000195315016 140152561 /nfs/dbraw/zinc/15/25/61/140152561.db2.gz AUTUDBYBFTUBEN-ZDUSSCGKSA-N 0 3 289.335 1.823 10 5 CDBEHN Cn1ccnc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000040676127 174373884 /nfs/dbraw/zinc/37/38/84/174373884.db2.gz QPBDSOGPTPIVHH-UHFFFAOYSA-N 0 3 260.297 1.661 10 5 CDBEHN CO[C@@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000555121390 290204763 /nfs/dbraw/zinc/20/47/63/290204763.db2.gz CZHLPLSHCPCMKH-VWYCJHECSA-N 0 3 295.339 1.935 10 5 CDBEHN CN[C@](C)(COc1cc([N+](=O)[O-])ccc1Cl)C(N)=O ZINC000069508235 522518123 /nfs/dbraw/zinc/51/81/23/522518123.db2.gz RUQTUYUYDKXBHP-LLVKDONJSA-N 0 3 287.703 1.090 10 5 CDBEHN CCCNC(=O)COc1cc(CNCC)ccc1[N+](=O)[O-] ZINC000050517026 519881378 /nfs/dbraw/zinc/88/13/78/519881378.db2.gz BNPKWJNDMLMWSQ-UHFFFAOYSA-N 0 3 295.339 1.609 10 5 CDBEHN CN(C)C[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1N ZINC000061653191 521839959 /nfs/dbraw/zinc/83/99/59/521839959.db2.gz NGGYXVQMNQDHMJ-ZDUSSCGKSA-N 0 3 278.356 1.703 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(OC[C@H]2CCCO2)c1 ZINC000050516851 522125544 /nfs/dbraw/zinc/12/55/44/522125544.db2.gz UBGIMZMWQZCCLH-LLVKDONJSA-N 0 3 266.297 1.872 10 5 CDBEHN Cc1cc(C)c(OC[C@H](NC(C)C)C(N)=O)c([N+](=O)[O-])c1 ZINC000050442060 524311380 /nfs/dbraw/zinc/31/13/80/524311380.db2.gz WFFPHKCXJCUUPI-NSHDSACASA-N 0 3 295.339 1.442 10 5 CDBEHN C[C@@H]1CN(CCCNc2ccncc2[N+](=O)[O-])CCCO1 ZINC000340900436 524943853 /nfs/dbraw/zinc/94/38/53/524943853.db2.gz IQTAXASSYXCLQX-GFCCVEGCSA-N 0 3 294.355 1.325 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H](CN(C)C)C1 ZINC000183219577 525562765 /nfs/dbraw/zinc/56/27/65/525562765.db2.gz JOOAPRZZUJMODN-HNNXBMFYSA-N 0 3 293.367 1.666 10 5 CDBEHN N=C(N)c1ncccc1COc1ccc([N+](=O)[O-])cc1 ZINC000061658799 526825740 /nfs/dbraw/zinc/82/57/40/526825740.db2.gz LPLJTOVBKKGTLL-UHFFFAOYSA-N 0 3 272.264 1.853 10 5 CDBEHN O=C1OCC[C@@H]1Oc1cc(CNC2CC2)ccc1[N+](=O)[O-] ZINC000050517261 527096233 /nfs/dbraw/zinc/09/62/33/527096233.db2.gz JJTLYKFHRONASU-LBPRGKRZSA-N 0 3 292.291 1.541 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NOC1CCN(C)CC1 ZINC000773552230 575824656 /nfs/dbraw/zinc/82/46/56/575824656.db2.gz XQAMLMOZDZNWEE-UHFFFAOYSA-N 0 3 293.323 1.659 10 5 CDBEHN COc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813101693 617341836 /nfs/dbraw/zinc/34/18/36/617341836.db2.gz HCFMGWCWFXZLDR-SECBINFHSA-N 0 3 283.280 1.455 10 5 CDBEHN CC(C)Oc1cncc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112654 617347080 /nfs/dbraw/zinc/34/70/80/617347080.db2.gz SJCNRWUEJWHNEY-VIFPVBQESA-N 0 3 268.269 1.691 10 5 CDBEHN NC(=O)c1cc(N2CCc3cnccc32)ccc1[N+](=O)[O-] ZINC001642334836 1167169717 /nfs/dbraw/zinc/16/97/17/1167169717.db2.gz PYBSTJRQHAAKPK-UHFFFAOYSA-N 0 3 284.275 1.783 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCCC[C@]23CCOC3)c1 ZINC001655905191 1171741768 /nfs/dbraw/zinc/74/17/68/1171741768.db2.gz LNPUBIXLODOXLG-CYBMUJFWSA-N 0 3 280.328 1.436 10 5 CDBEHN Cc1ccc([C@@H](C)NCC[S@@](C)=O)cc1[N+](=O)[O-] ZINC000131383162 832994124 /nfs/dbraw/zinc/99/41/24/832994124.db2.gz KBOPAWVPUOVNGD-MGNBDDOMSA-N 0 3 270.354 1.932 10 5 CDBEHN CC(COC(=O)c1ccn(Cc2ccccc2)n1)[N+](=O)[O-] ZINC000813112922 833325027 /nfs/dbraw/zinc/32/50/27/833325027.db2.gz MFKLUEYORNYKQE-LLVKDONJSA-N 0 3 289.291 1.753 10 5 CDBEHN CC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])c(F)c1 ZINC000813107007 833338817 /nfs/dbraw/zinc/33/88/17/833338817.db2.gz JZSSHFAIXNMRQD-ZETCQYMHSA-N 0 3 269.228 1.850 10 5 CDBEHN CC[C@@H](OC1CCCC1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813108754 829524051 /nfs/dbraw/zinc/52/40/51/829524051.db2.gz LKBHGZJWSFIDBY-MWLCHTKSSA-N 0 3 259.302 1.933 10 5 CDBEHN CC(COC(=O)[C@@H]1CCCc2nn(C)cc21)[N+](=O)[O-] ZINC000813105446 829832299 /nfs/dbraw/zinc/83/22/99/829832299.db2.gz MJCYNAKXXNPKCD-DTWKUNHWSA-N 0 3 267.285 1.048 10 5 CDBEHN O=[N+]([O-])c1cccc(CNCC[C@@H]2CCCS2(=O)=O)c1 ZINC000714356487 832146082 /nfs/dbraw/zinc/14/60/82/832146082.db2.gz JHNKRZCFQLRTFW-ZDUSSCGKSA-N 0 3 298.364 1.652 10 5 CDBEHN CCN1CCC[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000048482429 833850259 /nfs/dbraw/zinc/85/02/59/833850259.db2.gz HGSDBARJCZYMBN-NSHDSACASA-N 0 3 292.339 1.391 10 5 CDBEHN C[C@@H]1[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000928456822 833891231 /nfs/dbraw/zinc/89/12/31/833891231.db2.gz SKXBSLDBLALBPU-ZYHUDNBSSA-N 0 3 277.324 1.346 10 5 CDBEHN CC(COC(=O)[C@@H]1CCCN1c1ccccc1)[N+](=O)[O-] ZINC000813112498 832782651 /nfs/dbraw/zinc/78/26/51/832782651.db2.gz QTCGXBBMIDRAPS-YPMHNXCESA-N 0 3 278.308 1.864 10 5 CDBEHN CC(COC(=O)c1cccc(C[S@](C)=O)c1)[N+](=O)[O-] ZINC000813107028 832853623 /nfs/dbraw/zinc/85/36/23/832853623.db2.gz KMSMIFQHFKGELK-UGZDLDLSSA-N 0 3 285.321 1.387 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@@H]2C[C@]2(O)C1 ZINC000895645921 832882897 /nfs/dbraw/zinc/88/28/97/832882897.db2.gz TUBQKIIGOKKQPV-FZMZJTMJSA-N 0 3 262.309 1.778 10 5 CDBEHN CCCc1noc(CCCC(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813110354 834352268 /nfs/dbraw/zinc/35/22/68/834352268.db2.gz YMNHTHVLTYSWRD-SECBINFHSA-N 0 3 285.300 1.553 10 5 CDBEHN CC(C)(O)CN1CC[C@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000865998994 834378678 /nfs/dbraw/zinc/37/86/78/834378678.db2.gz VQCONOOWLDFJSD-JTQLQIEISA-N 0 3 297.330 1.991 10 5 CDBEHN CC/C=C/CCN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001277593177 943073762 /nfs/dbraw/zinc/07/37/62/943073762.db2.gz CUUZSQIKWIAIQX-IJWDBEHRSA-N 0 3 281.356 1.151 10 5 CDBEHN O=[N+]([O-])c1ccc([C@H](O)CN2C[C@@H](O)C3(CC3)C2)cc1 ZINC001325881171 954121546 /nfs/dbraw/zinc/12/15/46/954121546.db2.gz PTPOINZJTQTMES-CHWSQXEVSA-N 0 3 278.308 1.085 10 5 CDBEHN O=[N+]([O-])c1cccc(CNCC[C@H](O)C(F)F)c1 ZINC000601150148 342482450 /nfs/dbraw/zinc/48/24/50/342482450.db2.gz WTMJNIHJZSVWPT-JTQLQIEISA-N 0 3 260.240 1.701 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN(CCO)[C@H]1CC[C@H](O)CC1 ZINC000592131020 342667504 /nfs/dbraw/zinc/66/75/04/342667504.db2.gz PUGJAJPCZKDBFD-HDJSIYSDSA-N 0 3 294.351 1.693 10 5 CDBEHN N[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@H]1F ZINC000595261374 343014556 /nfs/dbraw/zinc/01/45/56/343014556.db2.gz YGSYMIMVKAUCSR-VXGBXAGGSA-N 0 3 281.287 1.035 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(N2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000405240742 349782091 /nfs/dbraw/zinc/78/20/91/349782091.db2.gz WBDXRIAWXNALEJ-NWDGAFQWSA-N 0 3 277.324 1.158 10 5 CDBEHN C[C@@H]1CCCCN1CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000079914552 342348494 /nfs/dbraw/zinc/34/84/94/342348494.db2.gz JKLFRKRKSRMEOY-SECBINFHSA-N 0 3 280.332 1.253 10 5 CDBEHN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1O ZINC000595752283 343152681 /nfs/dbraw/zinc/15/26/81/343152681.db2.gz WFRNJZLMJVIWGJ-VXGBXAGGSA-N 0 3 294.351 1.922 10 5 CDBEHN N[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[C@H]1F ZINC000595906550 343188435 /nfs/dbraw/zinc/18/84/35/343188435.db2.gz KTUAIIAILOZQNP-VXGBXAGGSA-N 0 3 253.277 1.466 10 5 CDBEHN CC(C)(C)N1CC[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000596306932 343293520 /nfs/dbraw/zinc/29/35/20/343293520.db2.gz JTTLJYHNAXHPCA-SECBINFHSA-N 0 3 265.317 1.091 10 5 CDBEHN CO[C@@]1(CO)CCCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000597186481 343478846 /nfs/dbraw/zinc/47/88/46/343478846.db2.gz GFESQVKDZBMNTB-HNNXBMFYSA-N 0 3 294.351 1.877 10 5 CDBEHN NC(=O)[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000599004512 343937698 /nfs/dbraw/zinc/93/76/98/343937698.db2.gz RWPLLQURGFFVMA-KYZUINATSA-N 0 3 267.260 1.087 10 5 CDBEHN Nc1ccnc2c1CN(c1ncc([N+](=O)[O-])s1)CC2 ZINC000598943169 343924190 /nfs/dbraw/zinc/92/41/90/343924190.db2.gz QVYJNGNRBSKENL-UHFFFAOYSA-N 0 3 277.309 1.591 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H](O)[C@H]1CCCO1 ZINC000598991133 343935347 /nfs/dbraw/zinc/93/53/47/343935347.db2.gz VOHUXRGWABNEGH-UONOGXRCSA-N 0 3 280.324 1.533 10 5 CDBEHN O=[N+]([O-])c1cnccc1NC[C@H]1CCN1C1CCCC1 ZINC000599163579 343972258 /nfs/dbraw/zinc/97/22/58/343972258.db2.gz DVUDWGGDCKKSCJ-GFCCVEGCSA-N 0 3 276.340 1.841 10 5 CDBEHN COC(=O)c1ccc([N+](=O)[O-])c(NCCN2CCCC2)c1 ZINC000136294902 362965025 /nfs/dbraw/zinc/96/50/25/362965025.db2.gz IIUFMHRWADTXLY-UHFFFAOYSA-N 0 3 293.323 1.889 10 5 CDBEHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](C)CO ZINC000167094836 362977497 /nfs/dbraw/zinc/97/74/97/362977497.db2.gz VLPIHAQHLWIQKT-RKDXNWHRSA-N 0 3 283.284 1.610 10 5 CDBEHN Cc1cnc(N(C)[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000361263118 358124671 /nfs/dbraw/zinc/12/46/71/358124671.db2.gz RFDFVCBOEHOVCH-GFCCVEGCSA-N 0 3 276.340 1.971 10 5 CDBEHN C[C@H]1CCN(CC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000584539062 358142836 /nfs/dbraw/zinc/14/28/36/358142836.db2.gz IGPFSSTVUPWBLI-LBPRGKRZSA-N 0 3 291.351 1.595 10 5 CDBEHN CC1(C)OCC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000294774707 199176078 /nfs/dbraw/zinc/17/60/78/199176078.db2.gz NJVKOTAYBIMWGV-LBPRGKRZSA-N 0 3 293.323 1.690 10 5 CDBEHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](N(C)C)C1 ZINC000062965992 358759999 /nfs/dbraw/zinc/75/99/99/358759999.db2.gz HBUYIKZOKQYZNI-LBPRGKRZSA-N 0 3 277.324 1.938 10 5 CDBEHN CC[C@H](NCCn1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000358078034 360518384 /nfs/dbraw/zinc/51/83/84/360518384.db2.gz CLYOOQASTRXKMV-ZDUSSCGKSA-N 0 3 275.312 1.927 10 5 CDBEHN CC1(C)CCCN(CCNc2ccncc2[N+](=O)[O-])C1 ZINC000340914363 363946679 /nfs/dbraw/zinc/94/66/79/363946679.db2.gz WTZLFLLYZAONAZ-UHFFFAOYSA-N 0 3 278.356 1.946 10 5 CDBEHN CC(C)[C@](C)(CO)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000352890679 364439359 /nfs/dbraw/zinc/43/93/59/364439359.db2.gz FBJFWOIZDRFMCM-AWEZNQCLSA-N 0 3 295.339 1.530 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CC[C@@]3(C2)CCCOC3)c1 ZINC000367073093 364731233 /nfs/dbraw/zinc/73/12/33/364731233.db2.gz IVEFIRXQKMSPJX-CYBMUJFWSA-N 0 3 280.328 1.294 10 5 CDBEHN Cc1ncc([N+](=O)[O-])n1CCN1CCC([C@H](C)O)CC1 ZINC000235547036 367641569 /nfs/dbraw/zinc/64/15/69/367641569.db2.gz PSLLKXLBTWTTJK-JTQLQIEISA-N 0 3 282.344 1.193 10 5 CDBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@](C)(C(N)=O)C1 ZINC000280700284 375015030 /nfs/dbraw/zinc/01/50/30/375015030.db2.gz IIYBTEZLEUCHCN-QMTHXVAHSA-N 0 3 277.324 1.853 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@H](C)CO ZINC000228591980 375783610 /nfs/dbraw/zinc/78/36/10/375783610.db2.gz UULBWZOLZWPJHS-NXEZZACHSA-N 0 3 268.313 1.710 10 5 CDBEHN Cc1nc(F)ccc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000278477851 194002717 /nfs/dbraw/zinc/00/27/17/194002717.db2.gz KGUCBMXKRLMOLS-UHFFFAOYSA-N 0 3 279.275 1.424 10 5 CDBEHN O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CCCCN1CCO ZINC000450620181 251371562 /nfs/dbraw/zinc/37/15/62/251371562.db2.gz VKBXAGPVNBBDDU-LBPRGKRZSA-N 0 3 297.330 1.993 10 5 CDBEHN C[C@H]1C[C@@H](O)CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000401791533 390416669 /nfs/dbraw/zinc/41/66/69/390416669.db2.gz GJLFOVSKRSQKFL-GXFFZTMASA-N 0 3 250.298 1.798 10 5 CDBEHN Cc1ccc(CN[C@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000415010086 391239996 /nfs/dbraw/zinc/23/99/96/391239996.db2.gz XYDWBBXXUIHESP-LBPRGKRZSA-N 0 3 285.294 1.990 10 5 CDBEHN CNC(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000420980920 392923991 /nfs/dbraw/zinc/92/39/91/392923991.db2.gz VFUNBUFCTBJRRU-NSHDSACASA-N 0 3 263.297 1.163 10 5 CDBEHN C[C@@H](N[C@@H]1CCC(=O)N(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284311406 196027369 /nfs/dbraw/zinc/02/73/69/196027369.db2.gz ZGZFQXMUCPJXND-MWLCHTKSSA-N 0 3 292.339 1.448 10 5 CDBEHN CCOCCOc1ccc([N+](=O)[O-])cc1CNC ZINC000035414599 172188359 /nfs/dbraw/zinc/18/83/59/172188359.db2.gz UTSQYHOSCYEZPV-UHFFFAOYSA-N 0 3 254.286 1.730 10 5 CDBEHN CC[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000037485978 173229426 /nfs/dbraw/zinc/22/94/26/173229426.db2.gz QBTKQPNIOSQVRP-SECBINFHSA-N 0 3 251.286 1.921 10 5 CDBEHN O=[N+]([O-])c1ccc(F)cc1CNC[C@H]1CCOC1 ZINC000038094232 174107309 /nfs/dbraw/zinc/10/73/09/174107309.db2.gz BQJLTPUJVGMRTG-SECBINFHSA-N 0 3 254.261 1.860 10 5 CDBEHN CC(C)OC(=O)COc1ccc([N+](=O)[O-])cc1CN ZINC000043446032 175048296 /nfs/dbraw/zinc/04/82/96/175048296.db2.gz AYXWKUNPUNOFFQ-UHFFFAOYSA-N 0 3 268.269 1.384 10 5 CDBEHN CC(C)[C@@H](CN(C)C)Nc1cc([N+](=O)[O-])ccn1 ZINC000043568132 175067310 /nfs/dbraw/zinc/06/73/10/175067310.db2.gz JVZRVINWQXQGHJ-LLVKDONJSA-N 0 3 252.318 1.988 10 5 CDBEHN CN1CCCC[C@@H]1CNCc1ccc([N+](=O)[O-])o1 ZINC000044561083 175205213 /nfs/dbraw/zinc/20/52/13/175205213.db2.gz OLVJCIMKRHEFAO-SNVBAGLBSA-N 0 3 253.302 1.762 10 5 CDBEHN CN1CCCC[C@H]1CNC(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000044564363 175207320 /nfs/dbraw/zinc/20/73/20/175207320.db2.gz CLTKXIQDTMIYBS-NSHDSACASA-N 0 3 295.314 1.948 10 5 CDBEHN N[C@@H](CO)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000072199309 176340597 /nfs/dbraw/zinc/34/05/97/176340597.db2.gz WUEINPQYQVLXMM-ZETCQYMHSA-N 0 3 261.075 1.349 10 5 CDBEHN CN(C)[C@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000264030202 273817850 /nfs/dbraw/zinc/81/78/50/273817850.db2.gz RVOPDKADEVEGDT-QMMMGPOBSA-N 0 3 281.341 1.444 10 5 CDBEHN C[C@@H]1CN2CCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000408464284 274375350 /nfs/dbraw/zinc/37/53/50/274375350.db2.gz DTOFRLMJACAYIO-ZJUUUORDSA-N 0 3 280.303 1.802 10 5 CDBEHN C[C@@H](N[C@@H]1CCC(=O)N(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000084063330 278367630 /nfs/dbraw/zinc/36/76/30/278367630.db2.gz RBDXIBJWSYZWFC-ZYHUDNBSSA-N 0 3 277.324 1.866 10 5 CDBEHN CCN(CCOC)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050816652 521136249 /nfs/dbraw/zinc/13/62/49/521136249.db2.gz HMXYGHZGUVLXKS-UHFFFAOYSA-N 0 3 253.302 1.645 10 5 CDBEHN CCNC(=O)[C@H](C)Oc1cc(CNC)ccc1[N+](=O)[O-] ZINC000050516823 521745750 /nfs/dbraw/zinc/74/57/50/521745750.db2.gz DYNXYGPEKLTKHO-VIFPVBQESA-N 0 3 281.312 1.218 10 5 CDBEHN CN[C@](COc1cc(C)ccc1[N+](=O)[O-])(C(N)=O)C1CC1 ZINC000069194230 522529281 /nfs/dbraw/zinc/52/92/81/522529281.db2.gz ZQVJXFJLHXFOFB-AWEZNQCLSA-N 0 3 293.323 1.136 10 5 CDBEHN CN[C@](COc1cccc(C)c1[N+](=O)[O-])(C(N)=O)C1CC1 ZINC000069194368 522529628 /nfs/dbraw/zinc/52/96/28/522529628.db2.gz QAFCARJUQGUWSL-AWEZNQCLSA-N 0 3 293.323 1.136 10 5 CDBEHN CNc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(C)C2)c1 ZINC000050770082 522640923 /nfs/dbraw/zinc/64/09/23/522640923.db2.gz WGUSTSVYUHGKBE-JTQLQIEISA-N 0 3 292.339 1.318 10 5 CDBEHN COCCCN(CCOC)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050816289 523255360 /nfs/dbraw/zinc/25/53/60/523255360.db2.gz UTJWTNVXOFLLOV-UHFFFAOYSA-N 0 3 297.355 1.662 10 5 CDBEHN CN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050708170 523796875 /nfs/dbraw/zinc/79/68/75/523796875.db2.gz CWYZCWYYPFYSFM-NSHDSACASA-N 0 3 292.339 1.391 10 5 CDBEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1ccccc1[N+](=O)[O-] ZINC000069133095 525097562 /nfs/dbraw/zinc/09/75/62/525097562.db2.gz NELRIZZPQJNCSW-NXEZZACHSA-N 0 3 263.297 1.417 10 5 CDBEHN C[C@@H](NC[C@@H]1CN(C)CCN1C)c1ccccc1[N+](=O)[O-] ZINC000068801291 525487060 /nfs/dbraw/zinc/48/70/60/525487060.db2.gz SOTZHOHPYGNBCL-CHWSQXEVSA-N 0 3 292.383 1.491 10 5 CDBEHN NCc1ccc([N+](=O)[O-])c(OC[C@H]2CCCO2)c1 ZINC000050516550 527258100 /nfs/dbraw/zinc/25/81/00/527258100.db2.gz JNTGWEGTNZXFOK-SNVBAGLBSA-N 0 3 252.270 1.611 10 5 CDBEHN CN1CCC[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000729919519 574827658 /nfs/dbraw/zinc/82/76/58/574827658.db2.gz PHFHVESOSHREGI-YSKGHYERSA-N 0 3 289.335 1.818 10 5 CDBEHN Cc1noc(C)c1[C@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813102243 617342218 /nfs/dbraw/zinc/34/22/18/617342218.db2.gz CKSCHDITKWWVOP-SFYZADRCSA-N 0 3 270.285 1.993 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928437732 619079710 /nfs/dbraw/zinc/07/97/10/619079710.db2.gz DASVEOGECOHQRV-MFKMUULPSA-N 0 3 277.324 1.726 10 5 CDBEHN O=[N+]([O-])c1cnc(N2CC(N[C@H]3CCOC3)C2)c(Cl)c1 ZINC001640465057 1167028949 /nfs/dbraw/zinc/02/89/49/1167028949.db2.gz NWYNMZYZXATJKO-QMMMGPOBSA-N 0 3 298.730 1.210 10 5 CDBEHN C[C@@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000928454687 835853352 /nfs/dbraw/zinc/85/33/52/835853352.db2.gz CPBXSKXUHOOVIO-BXKDBHETSA-N 0 3 263.297 1.417 10 5 CDBEHN COC(=O)[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776279774 835855985 /nfs/dbraw/zinc/85/59/85/835855985.db2.gz YVFVPGMRVGEEMQ-DGCLKSJQSA-N 0 3 294.307 1.123 10 5 CDBEHN COC(=O)c1ccccc1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813104299 838754641 /nfs/dbraw/zinc/75/46/41/838754641.db2.gz LYESHEYRVVTGQF-JTQLQIEISA-N 0 3 295.291 1.614 10 5 CDBEHN CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000823261323 839282276 /nfs/dbraw/zinc/28/22/76/839282276.db2.gz BRIYIAPMLPMDPR-GFCCVEGCSA-N 0 3 283.372 1.517 10 5 CDBEHN CC(COC(=O)c1cc2c(s1)CCOC2)[N+](=O)[O-] ZINC000813103145 839356959 /nfs/dbraw/zinc/35/69/59/839356959.db2.gz AHGGKJGMJXNTAU-SSDOTTSWSA-N 0 3 271.294 1.643 10 5 CDBEHN C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2F)CCN1C ZINC000719367267 839512591 /nfs/dbraw/zinc/51/25/91/839512591.db2.gz BZOSOINCMMKIDC-SFYZADRCSA-N 0 3 268.292 1.821 10 5 CDBEHN CC(COC(=O)c1ccnc(N2CC[C@@H](C)C2)c1)[N+](=O)[O-] ZINC000813107983 839818518 /nfs/dbraw/zinc/81/85/18/839818518.db2.gz SSLLIYZHIAYGRL-GHMZBOCLSA-N 0 3 293.323 1.750 10 5 CDBEHN Cc1noc(C)c1[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813103177 840480424 /nfs/dbraw/zinc/48/04/24/840480424.db2.gz APVHYMOSGZFMHO-RNFRBKRXSA-N 0 3 256.258 1.603 10 5 CDBEHN Cc1ccc([C@H](C)NCC[S@@](C)=O)cc1[N+](=O)[O-] ZINC000131383399 840508873 /nfs/dbraw/zinc/50/88/73/840508873.db2.gz KBOPAWVPUOVNGD-YPMLDQLKSA-N 0 3 270.354 1.932 10 5 CDBEHN CC(COC(=O)[C@H](C)Oc1cccc(F)c1)[N+](=O)[O-] ZINC000813105582 840822041 /nfs/dbraw/zinc/82/20/41/840822041.db2.gz PRAKTQMIHDZRLK-BDAKNGLRSA-N 0 3 271.244 1.801 10 5 CDBEHN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCN(C)[C@H]1C ZINC000719625834 842300754 /nfs/dbraw/zinc/30/07/54/842300754.db2.gz PTSBOBQHYQCHPY-VHSXEESVSA-N 0 3 267.333 1.624 10 5 CDBEHN O=[N+]([O-])CCN1CCC2(CC1)C(F)(F)C2(F)F ZINC000930849481 842857106 /nfs/dbraw/zinc/85/71/06/842857106.db2.gz RXJLITNKGNGFNP-UHFFFAOYSA-N 0 3 256.199 1.630 10 5 CDBEHN CN(CCOc1ccc([N+](=O)[O-])cc1)CCn1cnnc1 ZINC001473765702 970848288 /nfs/dbraw/zinc/84/82/88/970848288.db2.gz NGSRJQYATCMEDT-UHFFFAOYSA-N 0 3 291.311 1.197 10 5 CDBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)CCCF ZINC001317618533 957600731 /nfs/dbraw/zinc/60/07/31/957600731.db2.gz LLVBFHCVOIELFC-UHFFFAOYSA-N 0 3 297.330 1.893 10 5 CDBEHN COCCOC[C@@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000294950162 199267525 /nfs/dbraw/zinc/26/75/25/199267525.db2.gz IYGVUMPTPRMMJS-NEPJUHHUSA-N 0 3 298.339 1.269 10 5 CDBEHN O=[N+]([O-])c1ccc(CNCC[C@@H](O)C(F)F)c(F)c1 ZINC000601147855 342482059 /nfs/dbraw/zinc/48/20/59/342482059.db2.gz YGAXGXDCINUKLR-SNVBAGLBSA-N 0 3 278.230 1.840 10 5 CDBEHN CO[C@](C)(CO)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594510857 342912697 /nfs/dbraw/zinc/91/26/97/342912697.db2.gz LWWGZIDUBKODKA-OCCSQVGLSA-N 0 3 280.324 1.569 10 5 CDBEHN CO[C@@](C)(CO)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000594510140 342912747 /nfs/dbraw/zinc/91/27/47/342912747.db2.gz HVFVFQLSGLAXDT-HUUCEWRRSA-N 0 3 294.351 1.959 10 5 CDBEHN O=[N+]([O-])c1cc(F)ccc1CN[C@H](CO)C1CCC1 ZINC000595615517 343109452 /nfs/dbraw/zinc/10/94/52/343109452.db2.gz IJZVHDVDIBMPFT-GFCCVEGCSA-N 0 3 268.288 1.985 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN[C@H](CO)C1CCC1 ZINC000595618038 343110489 /nfs/dbraw/zinc/11/04/89/343110489.db2.gz WKBMAEJTOBMEQM-GFCCVEGCSA-N 0 3 250.298 1.845 10 5 CDBEHN O=[N+]([O-])c1ccc(N2CCC(N3CC[C@H](O)C3)CC2)s1 ZINC000596537559 343345572 /nfs/dbraw/zinc/34/55/72/343345572.db2.gz HORNAHGJNURNIN-NSHDSACASA-N 0 3 297.380 1.692 10 5 CDBEHN Cn1c(C(=O)NC[C@H]2CCN2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000597857614 343648119 /nfs/dbraw/zinc/64/81/19/343648119.db2.gz GVRXBAOIAJMJDN-SNVBAGLBSA-N 0 3 294.355 1.536 10 5 CDBEHN CN1CCOC[C@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000599003941 343937218 /nfs/dbraw/zinc/93/72/18/343937218.db2.gz NJAZPTWITIRUQN-SNVBAGLBSA-N 0 3 271.342 1.077 10 5 CDBEHN CCN1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000292640119 362482201 /nfs/dbraw/zinc/48/22/01/362482201.db2.gz ATPUTBMAUQISRI-QWHCGFSZSA-N 0 3 292.339 1.289 10 5 CDBEHN CN1C[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000603843244 344838208 /nfs/dbraw/zinc/83/82/08/344838208.db2.gz HTRLFUOABCTCTL-GXFFZTMASA-N 0 3 290.323 1.763 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN1CC[C@H]2OCCN[C@@H]2C1 ZINC000404185587 346684872 /nfs/dbraw/zinc/68/48/72/346684872.db2.gz JIAOZASPRQCZKN-TZMCWYRMSA-N 0 3 277.324 1.158 10 5 CDBEHN Cc1ccc(CNCC[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000404210832 346729281 /nfs/dbraw/zinc/72/92/81/346729281.db2.gz UZZYNZQDILTSNJ-AWEZNQCLSA-N 0 3 280.324 1.534 10 5 CDBEHN O=[N+]([O-])c1ccc(N2CCN(CC3(O)CCC3)CC2)cc1 ZINC000079096587 351345407 /nfs/dbraw/zinc/34/54/07/351345407.db2.gz LFUQJFWZEHQKNQ-UHFFFAOYSA-N 0 3 291.351 1.632 10 5 CDBEHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000341036136 366212392 /nfs/dbraw/zinc/21/23/92/366212392.db2.gz IVWQVEXYRYTNQL-QWRGUYRKSA-N 0 3 294.355 1.916 10 5 CDBEHN COc1ccc(CNCCCn2ccnn2)cc1[N+](=O)[O-] ZINC000126880535 356116916 /nfs/dbraw/zinc/11/69/16/356116916.db2.gz KQHJHIMTTCXSOO-UHFFFAOYSA-N 0 3 291.311 1.375 10 5 CDBEHN C[C@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])cn2)CCN1C ZINC000273580223 192213916 /nfs/dbraw/zinc/21/39/16/192213916.db2.gz FOOJALLGLMNGTQ-UWVGGRQHSA-N 0 3 265.317 1.304 10 5 CDBEHN Cc1nc(N2CCN3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000178016010 366465277 /nfs/dbraw/zinc/46/52/77/366465277.db2.gz NRAVLHMUVLPEAF-LLVKDONJSA-N 0 3 262.313 1.583 10 5 CDBEHN CC[C@@H](NCCn1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000358078032 360517542 /nfs/dbraw/zinc/51/75/42/360517542.db2.gz CLYOOQASTRXKMV-CYBMUJFWSA-N 0 3 275.312 1.927 10 5 CDBEHN CN(C)[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000170834808 369675442 /nfs/dbraw/zinc/67/54/42/369675442.db2.gz UOTXCDXKHKQUCG-CYBMUJFWSA-N 0 3 292.339 1.440 10 5 CDBEHN CN(C)[C@@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000170855867 369950344 /nfs/dbraw/zinc/95/03/44/369950344.db2.gz JINYDKSDRQEVBV-LLVKDONJSA-N 0 3 292.339 1.169 10 5 CDBEHN CN(C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000170864946 369979635 /nfs/dbraw/zinc/97/96/35/369979635.db2.gz UFQKQAAJXHGNQW-JTQLQIEISA-N 0 3 281.287 1.510 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422938236 374364807 /nfs/dbraw/zinc/36/48/07/374364807.db2.gz HAHBMGBTLURVQG-LSDHHAIUSA-N 0 3 291.351 1.451 10 5 CDBEHN C[C@H](NC(=O)C1(N)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000132147856 375405119 /nfs/dbraw/zinc/40/51/19/375405119.db2.gz PFCYPNVGBXPLSK-JTQLQIEISA-N 0 3 293.323 1.280 10 5 CDBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000278746831 194135499 /nfs/dbraw/zinc/13/54/99/194135499.db2.gz AQLPDFWCVYNALO-IAQYHMDHSA-N 0 3 289.335 1.868 10 5 CDBEHN COC[C@@]1(CO)CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000449693389 250972668 /nfs/dbraw/zinc/97/26/68/250972668.db2.gz DCFHQELGLGYUST-HNNXBMFYSA-N 0 3 294.351 1.734 10 5 CDBEHN CN(CCCO)CCOc1ccccc1[N+](=O)[O-] ZINC000281609209 195307384 /nfs/dbraw/zinc/30/73/84/195307384.db2.gz GSIYOLPJHRJOJK-UHFFFAOYSA-N 0 3 254.286 1.288 10 5 CDBEHN Cc1cc([N+](=O)[O-])cnc1N1CCN2CCC[C@@H]2C1 ZINC000171939042 391963045 /nfs/dbraw/zinc/96/30/45/391963045.db2.gz YLGKGFFAANZKMI-LLVKDONJSA-N 0 3 262.313 1.583 10 5 CDBEHN CNC(=O)[C@@H]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000420968169 392922710 /nfs/dbraw/zinc/92/27/10/392922710.db2.gz BJZCTFICXFEDRR-ZYHUDNBSSA-N 0 3 277.324 1.724 10 5 CDBEHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532138828 393067058 /nfs/dbraw/zinc/06/70/58/393067058.db2.gz IQJYPGVGQRFZBD-GXFFZTMASA-N 0 3 292.339 1.402 10 5 CDBEHN CC[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000037485979 173229648 /nfs/dbraw/zinc/22/96/48/173229648.db2.gz QBTKQPNIOSQVRP-VIFPVBQESA-N 0 3 251.286 1.921 10 5 CDBEHN CCCCOC(=O)COc1ccc(CN)cc1[N+](=O)[O-] ZINC000043447228 175048600 /nfs/dbraw/zinc/04/86/00/175048600.db2.gz RKKISLAXHAAJEJ-UHFFFAOYSA-N 0 3 282.296 1.776 10 5 CDBEHN [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2ccc([O-])cc2[N+](=O)[O-])C1 ZINC000070574415 175989653 /nfs/dbraw/zinc/98/96/53/175989653.db2.gz VMPQBIYFMWUHFP-RKDXNWHRSA-N 0 3 279.296 1.756 10 5 CDBEHN CN[C@@H]1CCN(c2cc([N+](=O)[O-])ccc2F)C1=O ZINC000071039993 176027027 /nfs/dbraw/zinc/02/70/27/176027027.db2.gz KDLBWVSUMWXOOU-SECBINFHSA-N 0 3 253.233 1.059 10 5 CDBEHN CCCN[C@@H]1CCN(c2cc([N+](=O)[O-])ccc2OC)C1=O ZINC000071038651 176027191 /nfs/dbraw/zinc/02/71/91/176027191.db2.gz AZMIUAUMOFMHFQ-LLVKDONJSA-N 0 3 293.323 1.708 10 5 CDBEHN O=[N+]([O-])c1ccc(Br)cc1N1CCNCC1 ZINC000083730380 275035167 /nfs/dbraw/zinc/03/51/67/275035167.db2.gz GKMLYVXGRUVSOR-UHFFFAOYSA-N 0 3 286.129 1.767 10 5 CDBEHN COC[C@](C)(CCO)NCc1ccc([N+](=O)[O-])cc1 ZINC000175857660 277268345 /nfs/dbraw/zinc/26/83/45/277268345.db2.gz AZNFDUOWKJZNOB-ZDUSSCGKSA-N 0 3 268.313 1.472 10 5 CDBEHN COc1cc(CN[C@@H]2C[C@H](O)C2(C)C)ccc1[N+](=O)[O-] ZINC000574410251 294996423 /nfs/dbraw/zinc/99/64/23/294996423.db2.gz DITLXESWSCHVMJ-OLZOCXBDSA-N 0 3 280.324 1.852 10 5 CDBEHN CC(C)N[C@@H](CCOc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000062539330 519734815 /nfs/dbraw/zinc/73/48/15/519734815.db2.gz RJVPBZJCTSZLFX-LBPRGKRZSA-N 0 3 281.312 1.216 10 5 CDBEHN CCNCc1ccc(O[C@@H](CC)C(N)=O)c([N+](=O)[O-])c1 ZINC000061675726 520002004 /nfs/dbraw/zinc/00/20/04/520002004.db2.gz ALJMQZNBTSHKQG-NSHDSACASA-N 0 3 281.312 1.347 10 5 CDBEHN CCCCNC(=O)COc1ccc(CN)cc1[N+](=O)[O-] ZINC000049279676 520623992 /nfs/dbraw/zinc/62/39/92/520623992.db2.gz YOXZAWSZZBXGLG-UHFFFAOYSA-N 0 3 281.312 1.349 10 5 CDBEHN COC[C@H](O)COc1ccc([N+](=O)[O-])cc1CNC(C)C ZINC000069053617 522807801 /nfs/dbraw/zinc/80/78/01/522807801.db2.gz KIYUQCVSMWSZRD-ZDUSSCGKSA-N 0 3 298.339 1.479 10 5 CDBEHN CC[C@H](C)NC(=O)[C@@H](C)Oc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516484 523986782 /nfs/dbraw/zinc/98/67/82/523986782.db2.gz RZLDJAQRINOGDZ-VHSXEESVSA-N 0 3 295.339 1.736 10 5 CDBEHN C[C@H](CNc1ncnc(Cl)c1[N+](=O)[O-])N(C)C ZINC000050455880 524514466 /nfs/dbraw/zinc/51/44/66/524514466.db2.gz RNXQKMWDCVXWRA-ZCFIWIBFSA-N 0 3 259.697 1.400 10 5 CDBEHN C[C@](N)(CCOc1ccc([N+](=O)[O-])c(Cl)c1)C(N)=O ZINC000050471897 525147412 /nfs/dbraw/zinc/14/74/12/525147412.db2.gz UXIQONNQYXQFSI-NSHDSACASA-N 0 3 287.703 1.220 10 5 CDBEHN Cc1ccc(OCC[C@H](NC(C)C)C(N)=O)c([N+](=O)[O-])c1 ZINC000062541863 525427079 /nfs/dbraw/zinc/42/70/79/525427079.db2.gz NRNLMVKKVNIFKE-NSHDSACASA-N 0 3 295.339 1.524 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C(N)=O)C1 ZINC000183224349 525562835 /nfs/dbraw/zinc/56/28/35/525562835.db2.gz JYYPYQICCQBRQO-LLVKDONJSA-N 0 3 263.297 1.210 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1O[C@@H](C)C[C@](C)(N)C(N)=O ZINC000068651314 526085185 /nfs/dbraw/zinc/08/51/85/526085185.db2.gz PSRLWCPSIMCJBR-ZANVPECISA-N 0 3 281.312 1.263 10 5 CDBEHN NC(=O)[C@@H](CCSc1ccc([N+](=O)[O-])cc1)NC1CC1 ZINC000062596641 526953382 /nfs/dbraw/zinc/95/33/82/526953382.db2.gz VHBLQVCFJPXCSI-GFCCVEGCSA-N 0 3 295.364 1.683 10 5 CDBEHN CC(COC(=O)Cc1ccc2c(c1)OCCO2)[N+](=O)[O-] ZINC000813108583 617345154 /nfs/dbraw/zinc/34/51/54/617345154.db2.gz HVSTWKQHCZNYOI-VIFPVBQESA-N 0 3 281.264 1.209 10 5 CDBEHN CC(COC(=O)COCCc1ccccc1)[N+](=O)[O-] ZINC000813108884 617345594 /nfs/dbraw/zinc/34/55/94/617345594.db2.gz MJHIXLFYRUHBOD-NSHDSACASA-N 0 3 267.281 1.454 10 5 CDBEHN CC(COC(=O)[C@@H]1Cc2ccccc2S1)[N+](=O)[O-] ZINC000813110545 617345644 /nfs/dbraw/zinc/34/56/44/617345644.db2.gz DBMLEXDWJWFLRU-KCJUWKMLSA-N 0 3 267.306 1.912 10 5 CDBEHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1CC(C)C ZINC000813110167 617345752 /nfs/dbraw/zinc/34/57/52/617345752.db2.gz UEYPVDSJDWXPBQ-JTQLQIEISA-N 0 3 283.328 1.924 10 5 CDBEHN CC(COC(=O)Cc1cc(F)cc2c1OCOC2)[N+](=O)[O-] ZINC000813112542 617346987 /nfs/dbraw/zinc/34/69/87/617346987.db2.gz IBHKCMGEYCMDDT-MRVPVSSYSA-N 0 3 299.254 1.443 10 5 CDBEHN C[N@@H+]1C[C@@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896911794 620302236 /nfs/dbraw/zinc/30/22/36/620302236.db2.gz DDHVNTSCWHUFOL-RNCFNFMXSA-N 0 3 278.312 1.083 10 5 CDBEHN C[N@H+]1C[C@@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896911794 620302239 /nfs/dbraw/zinc/30/22/39/620302239.db2.gz DDHVNTSCWHUFOL-RNCFNFMXSA-N 0 3 278.312 1.083 10 5 CDBEHN C[C@H]1[C@@H](O)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001653619299 1171556270 /nfs/dbraw/zinc/55/62/70/1171556270.db2.gz PUDZGWJNZMOEMN-XDTLVQLUSA-N 0 3 266.297 1.083 10 5 CDBEHN COC(C)(C)[C@@H](C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001620601597 1172448047 /nfs/dbraw/zinc/44/80/47/1172448047.db2.gz GNPBYKCQZCEJIM-SECBINFHSA-N 0 3 295.339 1.597 10 5 CDBEHN CC(COC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)[N+](=O)[O-] ZINC000813106211 1163814824 /nfs/dbraw/zinc/81/48/24/1163814824.db2.gz AQZVVRYMOGDDMQ-NFLHVTIKSA-N 0 3 269.297 1.590 10 5 CDBEHN C[C@@]1(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CN2CCC1CC2 ZINC001641191904 1167085858 /nfs/dbraw/zinc/08/58/58/1167085858.db2.gz DIAVMBCHQLZNGV-CYBMUJFWSA-N 0 3 278.312 1.137 10 5 CDBEHN CC(COC(=O)[C@H](C)N(C)CC(F)(F)F)[N+](=O)[O-] ZINC000813112017 844537786 /nfs/dbraw/zinc/53/77/86/844537786.db2.gz BUDOGYYEKJDDSE-BQBZGAKWSA-N 0 3 272.223 1.077 10 5 CDBEHN CC(COC(=O)Cc1cnn(-c2ccccc2)c1)[N+](=O)[O-] ZINC000813110080 844582505 /nfs/dbraw/zinc/58/25/05/844582505.db2.gz RXBOOUSJTPCZNA-NSHDSACASA-N 0 3 289.291 1.623 10 5 CDBEHN COCCCOc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813115299 843962486 /nfs/dbraw/zinc/96/24/86/843962486.db2.gz OQJBGGRVZGPRSN-NSHDSACASA-N 0 3 297.307 1.924 10 5 CDBEHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CNOC1 ZINC000925871269 844907958 /nfs/dbraw/zinc/90/79/58/844907958.db2.gz RHGNRXLMGYYKSO-MNOVXSKESA-N 0 3 297.380 1.959 10 5 CDBEHN Cc1nc(C(C)C)oc1C(=O)OCC(C)[N+](=O)[O-] ZINC000797283385 845504656 /nfs/dbraw/zinc/50/46/56/845504656.db2.gz WHWIAHLIZOFEPT-SSDOTTSWSA-N 0 3 256.258 1.928 10 5 CDBEHN Cc1ccc(CNC[C@@H](O)COC(C)C)cc1[N+](=O)[O-] ZINC000872232125 845643617 /nfs/dbraw/zinc/64/36/17/845643617.db2.gz YVEQGVBCAQMCSF-CYBMUJFWSA-N 0 3 282.340 1.779 10 5 CDBEHN CC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813104879 845828585 /nfs/dbraw/zinc/82/85/85/845828585.db2.gz SMWUVLRXTURAKT-LURJTMIESA-N 0 3 257.267 1.773 10 5 CDBEHN CC(COC(=O)CN1C(=O)CCc2ccccc21)[N+](=O)[O-] ZINC000813109842 845892364 /nfs/dbraw/zinc/89/23/64/845892364.db2.gz WVSCFDPAVKMLFU-JTQLQIEISA-N 0 3 292.291 1.174 10 5 CDBEHN COc1ccc(O[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111548 846087553 /nfs/dbraw/zinc/08/75/53/846087553.db2.gz UNZFQGNBGYMVIL-ZJUUUORDSA-N 0 3 283.280 1.671 10 5 CDBEHN O=[N+]([O-])c1ccc(Cl)c(OC[C@H]2CNCCO2)c1 ZINC000080760575 846557849 /nfs/dbraw/zinc/55/78/49/846557849.db2.gz OLENCOGWZPNXIT-SECBINFHSA-N 0 3 272.688 1.615 10 5 CDBEHN CC(COC(=O)[C@H]1CCCN(CC(F)(F)F)C1)[N+](=O)[O-] ZINC000813112063 846563704 /nfs/dbraw/zinc/56/37/04/846563704.db2.gz ZEHRYECLXWEYAX-BDAKNGLRSA-N 0 3 298.261 1.469 10 5 CDBEHN CC(COC(=O)COc1cc(F)cc(F)c1)[N+](=O)[O-] ZINC000813102920 846683777 /nfs/dbraw/zinc/68/37/77/846683777.db2.gz LQYNGIVQVFRLAF-ZETCQYMHSA-N 0 3 275.207 1.552 10 5 CDBEHN COC(=O)c1ccc(CCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813114517 846697497 /nfs/dbraw/zinc/69/74/97/846697497.db2.gz SGLULLGLOWPCJH-JTQLQIEISA-N 0 3 295.291 1.614 10 5 CDBEHN CC(COC(=O)[C@@H](C)Oc1cccc(F)c1)[N+](=O)[O-] ZINC000813105585 846716674 /nfs/dbraw/zinc/71/66/74/846716674.db2.gz PRAKTQMIHDZRLK-RKDXNWHRSA-N 0 3 271.244 1.801 10 5 CDBEHN CN(CC[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000930666096 846741498 /nfs/dbraw/zinc/74/14/98/846741498.db2.gz RUGYUYDUEPFDGL-UHFFFAOYSA-N 0 3 269.267 1.222 10 5 CDBEHN Cc1cccc(OCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813105044 846877644 /nfs/dbraw/zinc/87/76/44/846877644.db2.gz UMABKBOWVOVMKV-JTQLQIEISA-N 0 3 253.254 1.582 10 5 CDBEHN Cc1ccc(OCC(=O)OCC(C)[N+](=O)[O-])c(C)c1 ZINC000813114588 847203004 /nfs/dbraw/zinc/20/30/04/847203004.db2.gz DGTWNLWLYQGKCA-LLVKDONJSA-N 0 3 267.281 1.891 10 5 CDBEHN CC(C)Oc1ccc(C(=O)OCC(C)[N+](=O)[O-])nc1 ZINC000813105738 847773808 /nfs/dbraw/zinc/77/38/08/847773808.db2.gz SWZKBHXGRBPNHT-VIFPVBQESA-N 0 3 268.269 1.691 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928445561 847971223 /nfs/dbraw/zinc/97/12/23/847971223.db2.gz ZCNBGTIRLVZAJA-MNOVXSKESA-N 0 3 277.324 1.726 10 5 CDBEHN CN(CCOc1ccccc1[N+](=O)[O-])CCn1cnnc1 ZINC001197457796 925152783 /nfs/dbraw/zinc/15/27/83/925152783.db2.gz DWBZDXXQUNDVSF-UHFFFAOYSA-N 0 3 291.311 1.197 10 5 CDBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001273791104 925910816 /nfs/dbraw/zinc/91/08/16/925910816.db2.gz LEFYWELDVDBQGQ-OWOJBTEDSA-N 0 3 289.335 1.767 10 5 CDBEHN O=[N+]([O-])c1sccc1NC[C@H](O)CN1CCCCC1 ZINC000601176728 342487203 /nfs/dbraw/zinc/48/72/03/342487203.db2.gz YWVLYNKCLPLFSV-JTQLQIEISA-N 0 3 285.369 1.915 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2CN(C)C[C@@H]21 ZINC000590011959 342519806 /nfs/dbraw/zinc/51/98/06/342519806.db2.gz NRGFTQHEIBHQAK-FZMZJTMJSA-N 0 3 291.351 1.739 10 5 CDBEHN CN1C[C@@H]2CCN(C(=O)c3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590045261 342520588 /nfs/dbraw/zinc/52/05/88/342520588.db2.gz OIRXTEVWWJJQIB-WCBMZHEXSA-N 0 3 281.337 1.432 10 5 CDBEHN Cc1ccc(C(=O)N[C@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000401733485 342643419 /nfs/dbraw/zinc/64/34/19/342643419.db2.gz PVEHTSBDXDCPBP-SECBINFHSA-N 0 3 291.229 1.523 10 5 CDBEHN NC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000401738672 342645347 /nfs/dbraw/zinc/64/53/47/342645347.db2.gz QJGBWFYRRASTPQ-VIFPVBQESA-N 0 3 291.229 1.143 10 5 CDBEHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594026450 342867506 /nfs/dbraw/zinc/86/75/06/342867506.db2.gz CAARDZVTJNXMTK-RWMBFGLXSA-N 0 3 291.351 1.407 10 5 CDBEHN Cc1sc(C(=O)N[C@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594451874 342910165 /nfs/dbraw/zinc/91/01/65/342910165.db2.gz RJAUAWMIYJZNFJ-SSDOTTSWSA-N 0 3 297.258 1.584 10 5 CDBEHN CO[C@@](C)(CO)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000594510808 342912584 /nfs/dbraw/zinc/91/25/84/342912584.db2.gz LEZUTUNNIYSWBB-GXFFZTMASA-N 0 3 268.313 1.643 10 5 CDBEHN CO[C@](C)(CO)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594514377 342912876 /nfs/dbraw/zinc/91/28/76/342912876.db2.gz VXQQBJXBFFWOND-GWCFXTLKSA-N 0 3 268.313 1.643 10 5 CDBEHN O=[N+]([O-])c1cc2cnn(C[C@@H]3CNCCO3)c2c(Cl)c1 ZINC000594695834 342943058 /nfs/dbraw/zinc/94/30/58/342943058.db2.gz JUCTUMBFGSZAMO-JTQLQIEISA-N 0 3 296.714 1.586 10 5 CDBEHN O=[N+]([O-])c1cccc(CN[C@H]2C[C@@H](O)C23CCC3)c1 ZINC000594985820 342993713 /nfs/dbraw/zinc/99/37/13/342993713.db2.gz AHAMXNYMLVRJOW-QWHCGFSZSA-N 0 3 262.309 1.988 10 5 CDBEHN CN1CCCC(C)(C)[C@H]1CNc1ccncc1[N+](=O)[O-] ZINC000340864139 362200294 /nfs/dbraw/zinc/20/02/94/362200294.db2.gz WVAFFXNCJBRMKI-CYBMUJFWSA-N 0 3 278.356 1.944 10 5 CDBEHN CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCN(CC)C1 ZINC000598039631 343703172 /nfs/dbraw/zinc/70/31/72/343703172.db2.gz LHPLZVGCPAQRSB-GFCCVEGCSA-N 0 3 292.339 1.546 10 5 CDBEHN C[C@H](NC[C@@H](O)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000599067304 343948000 /nfs/dbraw/zinc/94/80/00/343948000.db2.gz ZCUNCMIRXPHLGP-ZLKJLUDKSA-N 0 3 280.324 1.785 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1COCCN1C ZINC000599079731 343956422 /nfs/dbraw/zinc/95/64/22/343956422.db2.gz NJLATCADRXJTSO-GXTWGEPZSA-N 0 3 293.367 1.884 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599680888 344117436 /nfs/dbraw/zinc/11/74/36/344117436.db2.gz JFJVBUZCZVTUFH-ZLKJLUDKSA-N 0 3 262.309 1.940 10 5 CDBEHN COC[C@@](C)(CO)NCc1ccc([N+](=O)[O-])cc1C ZINC000612582585 347217160 /nfs/dbraw/zinc/21/71/60/347217160.db2.gz JCTBAFQAUKCQGY-CYBMUJFWSA-N 0 3 268.313 1.390 10 5 CDBEHN CO[C@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000341472667 357468476 /nfs/dbraw/zinc/46/84/76/357468476.db2.gz CZHLPLSHCPCMKH-OUAUKWLOSA-N 0 3 295.339 1.935 10 5 CDBEHN Cc1nc(N(C)[C@@H]2CCN(C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000297108896 200087914 /nfs/dbraw/zinc/08/79/14/200087914.db2.gz LQYZIFDSCJAHLE-MWLCHTKSSA-N 0 3 279.344 1.612 10 5 CDBEHN Cc1c(CN[C@H]2CN(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000358311474 360949437 /nfs/dbraw/zinc/94/94/37/360949437.db2.gz PGUUYKVSZGWIKN-GWCFXTLKSA-N 0 3 263.341 1.943 10 5 CDBEHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@]2(O)CCN(C)C2)n1 ZINC000358324909 360956984 /nfs/dbraw/zinc/95/69/84/360956984.db2.gz CIPCHLZKQGRYPG-CYBMUJFWSA-N 0 3 280.328 1.085 10 5 CDBEHN NCc1ccc([N+](=O)[O-])c(I)c1 ZINC000238681229 361710573 /nfs/dbraw/zinc/71/05/73/361710573.db2.gz IDNCIBZYEJYWJH-UHFFFAOYSA-N 0 3 278.049 1.658 10 5 CDBEHN C[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000330666697 203094510 /nfs/dbraw/zinc/09/45/10/203094510.db2.gz WPZOFHDITLHLQR-WCQYABFASA-N 0 3 280.324 1.676 10 5 CDBEHN Cc1sc(C(=O)NC[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000298351384 373511388 /nfs/dbraw/zinc/51/13/88/373511388.db2.gz NGCWDLLDHQKBEA-ZETCQYMHSA-N 0 3 271.342 1.645 10 5 CDBEHN Cc1nc(N2CCC[C@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425288821 374434529 /nfs/dbraw/zinc/43/45/29/374434529.db2.gz UWHFNZITMSJYCG-WCQYABFASA-N 0 3 276.340 1.829 10 5 CDBEHN O=[N+]([O-])c1ccc(N2CCN(CCCCCO)CC2)cc1 ZINC000171143090 376252977 /nfs/dbraw/zinc/25/29/77/376252977.db2.gz RSXMWDPERZSQAK-UHFFFAOYSA-N 0 3 293.367 1.879 10 5 CDBEHN CCN1CC[C@H](N(C)c2ncc([N+](=O)[O-])c(C)n2)[C@H](C)C1 ZINC000450348698 390468147 /nfs/dbraw/zinc/46/81/47/390468147.db2.gz MAGRRCUZQYZXSC-PWSUYJOCSA-N 0 3 293.371 1.860 10 5 CDBEHN CCN1CC[C@@H](N(C)c2ncc([N+](=O)[O-])c(C)n2)[C@@H](C)C1 ZINC000450348696 390468193 /nfs/dbraw/zinc/46/81/93/390468193.db2.gz MAGRRCUZQYZXSC-CMPLNLGQSA-N 0 3 293.371 1.860 10 5 CDBEHN CCN1CCC[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000180423647 390674339 /nfs/dbraw/zinc/67/43/39/390674339.db2.gz LPMRCHCXMNVTCD-JTQLQIEISA-N 0 3 290.327 1.534 10 5 CDBEHN Cc1ccsc1[C@H](CO)NCCn1ccc([N+](=O)[O-])n1 ZINC000494644580 393235619 /nfs/dbraw/zinc/23/56/19/393235619.db2.gz CNEGNFBXBWQOGS-JTQLQIEISA-N 0 3 296.352 1.484 10 5 CDBEHN CO[C@H]1C[C@@H](CN(C)c2ccc([N+](=O)[O-])cn2)N(C)C1 ZINC000284486363 196068369 /nfs/dbraw/zinc/06/83/69/196068369.db2.gz HBTPDRCOWROKHD-RYUDHWBXSA-N 0 3 280.328 1.145 10 5 CDBEHN COCCN1CCCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000271316621 274027271 /nfs/dbraw/zinc/02/72/71/274027271.db2.gz NQNPKTRKHBDBSQ-UHFFFAOYSA-N 0 3 294.355 1.457 10 5 CDBEHN CCN1CCC[C@H]1CN(C)c1ncc([N+](=O)[O-])s1 ZINC000192474901 276183659 /nfs/dbraw/zinc/18/36/59/276183659.db2.gz FRFZBOLQAHOBPM-VIFPVBQESA-N 0 3 270.358 1.972 10 5 CDBEHN CNC(=O)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000517039638 280971278 /nfs/dbraw/zinc/97/12/78/280971278.db2.gz HUWJCUIIONMBBF-NSHDSACASA-N 0 3 263.297 1.308 10 5 CDBEHN CC(C)NC(=O)CNCCc1ccccc1[N+](=O)[O-] ZINC000062726308 519708276 /nfs/dbraw/zinc/70/82/76/519708276.db2.gz VUFBSEMSUOOWPH-UHFFFAOYSA-N 0 3 265.313 1.252 10 5 CDBEHN COCC[C@H](N)C(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000052792101 521944940 /nfs/dbraw/zinc/94/49/40/521944940.db2.gz SDMUINIGOSPWHP-QMMMGPOBSA-N 0 3 287.703 1.551 10 5 CDBEHN CC(C)N1CCO[C@H](CN)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000070288520 519685760 /nfs/dbraw/zinc/68/57/60/519685760.db2.gz AUANSCQKKNLXKJ-KGLIPLIRSA-N 0 3 279.340 1.704 10 5 CDBEHN CC(C)CN1CCN(c2ccc(CO)cc2[N+](=O)[O-])CC1 ZINC000055080007 519728560 /nfs/dbraw/zinc/72/85/60/519728560.db2.gz YKJQORVFJWVFIJ-UHFFFAOYSA-N 0 3 293.367 1.865 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(O[C@@H]2CCOC2=O)c1 ZINC000050516983 520001609 /nfs/dbraw/zinc/00/16/09/520001609.db2.gz HBAAUYBIOSLCFZ-LLVKDONJSA-N 0 3 280.280 1.399 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(O[C@@H](C)C(=O)OC)c1 ZINC000050516632 522125882 /nfs/dbraw/zinc/12/58/82/522125882.db2.gz DELCGCWFHBBBRQ-QMMMGPOBSA-N 0 3 268.269 1.255 10 5 CDBEHN COCCCOc1cc(CNCCOC)ccc1[N+](=O)[O-] ZINC000062733351 523410018 /nfs/dbraw/zinc/41/00/18/523410018.db2.gz SZVJVEHZOYIRDP-UHFFFAOYSA-N 0 3 298.339 1.746 10 5 CDBEHN COCCCOc1ccc(CNCCOC)cc1[N+](=O)[O-] ZINC000062730702 523414848 /nfs/dbraw/zinc/41/48/48/523414848.db2.gz QCMGUNDDYTWPPG-UHFFFAOYSA-N 0 3 298.339 1.746 10 5 CDBEHN C[C@@H](CN1CCCC1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000049183781 524589539 /nfs/dbraw/zinc/58/95/39/524589539.db2.gz SSSFBOTZPWAYRH-JTQLQIEISA-N 0 3 295.314 1.948 10 5 CDBEHN C[C@H](C[C@@](C)(N)C(N)=O)Oc1ccc([N+](=O)[O-])c(F)c1 ZINC000068652463 524632019 /nfs/dbraw/zinc/63/20/19/524632019.db2.gz SKNAMPQFZJQFGD-JMCQJSRRSA-N 0 3 285.275 1.094 10 5 CDBEHN C[C@@H]1CNC[C@H](C)N1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000069133505 525101732 /nfs/dbraw/zinc/10/17/32/525101732.db2.gz RVJXVRZJGLFAET-AOOOYVTPSA-N 0 3 278.312 1.809 10 5 CDBEHN O=[N+]([O-])c1ccccc1CCN(CCO)C1CC1 ZINC000062727277 527397317 /nfs/dbraw/zinc/39/73/17/527397317.db2.gz RHPNKMFWUIHUNK-UHFFFAOYSA-N 0 3 250.298 1.594 10 5 CDBEHN C[C@@H]1C[C@@H](O)C[C@H](C)N1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759485511 576393923 /nfs/dbraw/zinc/39/39/23/576393923.db2.gz AMQSSTCTWLMDTK-BAESOJJISA-N 0 3 294.351 1.862 10 5 CDBEHN CC(COC(=O)CCc1nc(C2CCCC2)no1)[N+](=O)[O-] ZINC000813109915 697725991 /nfs/dbraw/zinc/72/59/91/697725991.db2.gz QGSPZRCMIJJCDR-SECBINFHSA-N 0 3 297.311 1.868 10 5 CDBEHN NC(=O)[C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000858249317 697896353 /nfs/dbraw/zinc/89/63/53/697896353.db2.gz OACAHMFFGYQYLL-XWEPSHTISA-N 0 3 283.715 1.602 10 5 CDBEHN COCc1cncc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813114745 698229149 /nfs/dbraw/zinc/22/91/49/698229149.db2.gz WAVMGIGVPBDRHT-MRVPVSSYSA-N 0 3 254.242 1.050 10 5 CDBEHN CC(COC(=O)c1ccc([S@](C)=O)cc1)[N+](=O)[O-] ZINC000813113631 698311150 /nfs/dbraw/zinc/31/11/50/698311150.db2.gz HFTNKSLHZSDCMS-ASCAZGACSA-N 0 3 271.294 1.246 10 5 CDBEHN COc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813103189 698931254 /nfs/dbraw/zinc/93/12/54/698931254.db2.gz YVDISGOKOLIMGS-VIFPVBQESA-N 0 3 253.254 1.446 10 5 CDBEHN CO[C@H](C)c1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813102939 699005544 /nfs/dbraw/zinc/00/55/44/699005544.db2.gz WOXMLJUDKLEAGS-HTRCEHHLSA-N 0 3 288.325 1.981 10 5 CDBEHN CC(COC(=O)CCCC1CCOCC1)[N+](=O)[O-] ZINC000813115043 849254436 /nfs/dbraw/zinc/25/44/36/849254436.db2.gz JSXAXRQUKCZUBY-JTQLQIEISA-N 0 3 259.302 1.792 10 5 CDBEHN Cc1ccc([C@H](C)NC[C@@H](O)C(C)(C)O)cc1[N+](=O)[O-] ZINC001653908050 1171574440 /nfs/dbraw/zinc/57/44/40/1171574440.db2.gz YHIOWXMDOOBWNS-GXFFZTMASA-N 0 3 282.340 1.686 10 5 CDBEHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC1COCCOC1)CCC2 ZINC000589950186 342517703 /nfs/dbraw/zinc/51/77/03/342517703.db2.gz XOZBODCLKMGZJZ-HNNXBMFYSA-N 0 3 292.335 1.977 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000590046957 342520844 /nfs/dbraw/zinc/52/08/44/342520844.db2.gz PMWIYBDMWHFBGO-SMDDNHRTSA-N 0 3 289.335 1.679 10 5 CDBEHN Cc1c(CNC[C@@H](O)COC(C)C)cccc1[N+](=O)[O-] ZINC000231885776 341994859 /nfs/dbraw/zinc/99/48/59/341994859.db2.gz VBRROGXNYXYABG-CYBMUJFWSA-N 0 3 282.340 1.779 10 5 CDBEHN Cc1nn(C)c(N[C@@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000265113044 361960642 /nfs/dbraw/zinc/96/06/42/361960642.db2.gz HWMNGLAMMZFCFR-SNVBAGLBSA-N 0 3 267.333 1.531 10 5 CDBEHN Cc1cc(C(=O)N[C@H](CN)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000401716698 349723181 /nfs/dbraw/zinc/72/31/81/349723181.db2.gz HKOHCZPCNBNIQA-SECBINFHSA-N 0 3 291.229 1.523 10 5 CDBEHN O=[N+]([O-])c1cccc(CN2CC[C@@H]3OCCN[C@H]3C2)c1 ZINC000404065936 349764153 /nfs/dbraw/zinc/76/41/53/349764153.db2.gz BCELETPXQCCTNY-KBPBESRZSA-N 0 3 277.324 1.158 10 5 CDBEHN CCN1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596086497 343233183 /nfs/dbraw/zinc/23/31/83/343233183.db2.gz BTQGFVZFYUGMEZ-NSHDSACASA-N 0 3 292.339 1.590 10 5 CDBEHN COc1ccc(CNC[C@H](O)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000598991377 343935976 /nfs/dbraw/zinc/93/59/76/343935976.db2.gz YECPLZMRFODPNV-GXTWGEPZSA-N 0 3 296.323 1.233 10 5 CDBEHN NC(=O)[C@H]1C[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599071588 343948815 /nfs/dbraw/zinc/94/88/15/343948815.db2.gz YHJDNVHNBFEYPQ-JTNHKYCSSA-N 0 3 289.335 1.826 10 5 CDBEHN CN(C)C[C@H](CO)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599084935 343950708 /nfs/dbraw/zinc/95/07/08/343950708.db2.gz GJBJQFGAVBSRAQ-LLVKDONJSA-N 0 3 290.323 1.477 10 5 CDBEHN Cc1ccc([C@H](C)NC[C@@H]2COCCN2C)cc1[N+](=O)[O-] ZINC000599082679 343957694 /nfs/dbraw/zinc/95/76/94/343957694.db2.gz YCNVDORMEZFUMB-GXTWGEPZSA-N 0 3 293.367 1.884 10 5 CDBEHN O=[N+]([O-])c1cc(F)ccc1NC[C@H](O)CN1CCCCC1 ZINC000052131435 362472487 /nfs/dbraw/zinc/47/24/87/362472487.db2.gz FWFLTQSRDGEDSW-LBPRGKRZSA-N 0 3 297.330 1.993 10 5 CDBEHN C[C@H](O)C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154223969 188130505 /nfs/dbraw/zinc/13/05/05/188130505.db2.gz WFYHEUJDJIPRKG-NHYWBVRUSA-N 0 3 294.351 1.721 10 5 CDBEHN COC[C@](C)(O)CNCc1ccc([N+](=O)[O-])cc1C ZINC000541776421 358771322 /nfs/dbraw/zinc/77/13/22/358771322.db2.gz OHPSBWTUYDCTKP-CYBMUJFWSA-N 0 3 268.313 1.390 10 5 CDBEHN C[C@@H](CO)[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000450738927 358995868 /nfs/dbraw/zinc/99/58/68/358995868.db2.gz OYOQFEWKUSKJIF-DTWKUNHWSA-N 0 3 278.312 1.578 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(NC[C@H](O)CN2CCCCC2)n1 ZINC000121337451 364440290 /nfs/dbraw/zinc/44/02/90/364440290.db2.gz OTJREOVIYWWMRH-LBPRGKRZSA-N 0 3 294.355 1.557 10 5 CDBEHN Cn1cc([C@@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000174866203 364584874 /nfs/dbraw/zinc/58/48/74/364584874.db2.gz HSQNCJHVNHFOGR-LLVKDONJSA-N 0 3 290.327 1.014 10 5 CDBEHN COc1ccc(C(=O)N2CC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000170863314 369978700 /nfs/dbraw/zinc/97/87/00/369978700.db2.gz KCSPDHWVJNWIAF-NSHDSACASA-N 0 3 293.323 1.380 10 5 CDBEHN Cc1n[nH]c(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000266046196 373785534 /nfs/dbraw/zinc/78/55/34/373785534.db2.gz FAVBRXPCIQGOLA-PSASIEDQSA-N 0 3 295.343 1.181 10 5 CDBEHN Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000266046196 373785538 /nfs/dbraw/zinc/78/55/38/373785538.db2.gz FAVBRXPCIQGOLA-PSASIEDQSA-N 0 3 295.343 1.181 10 5 CDBEHN C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cn2)CCN1C ZINC000266192521 373977464 /nfs/dbraw/zinc/97/74/64/373977464.db2.gz BWBASXVIGBZJGR-QWRGUYRKSA-N 0 3 264.329 1.909 10 5 CDBEHN CN(C)C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000531793043 374509536 /nfs/dbraw/zinc/50/95/36/374509536.db2.gz AXINRFQBGXYJOL-JTQLQIEISA-N 0 3 280.328 1.100 10 5 CDBEHN COC[C@](C)(O)CCNCc1ccc([N+](=O)[O-])cc1C ZINC000449382347 374804150 /nfs/dbraw/zinc/80/41/50/374804150.db2.gz CGFLHPKWUQKMKP-CQSZACIVSA-N 0 3 282.340 1.780 10 5 CDBEHN CC(C)NC(=O)CCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282531652 375092781 /nfs/dbraw/zinc/09/27/81/375092781.db2.gz VAKZYNRFBZIZMQ-UHFFFAOYSA-N 0 3 293.367 1.984 10 5 CDBEHN CCCN(CCN(C)C)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427365663 247131402 /nfs/dbraw/zinc/13/14/02/247131402.db2.gz IVZSBDGCECJWFR-UHFFFAOYSA-N 0 3 297.359 1.225 10 5 CDBEHN CN(c1ccc([N+](=O)[O-])nc1)[C@H]1CCCN(C)C1 ZINC000450354385 251241457 /nfs/dbraw/zinc/24/14/57/251241457.db2.gz LNLZBRIGZDJCMH-NSHDSACASA-N 0 3 250.302 1.520 10 5 CDBEHN Cn1nccc1[C@H](CO)NCCc1ccc([N+](=O)[O-])cc1 ZINC000459747918 392503252 /nfs/dbraw/zinc/50/32/52/392503252.db2.gz IPUGAQUIEFCBEJ-ZDUSSCGKSA-N 0 3 290.323 1.194 10 5 CDBEHN CC[C@H](C)[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000035232016 172072006 /nfs/dbraw/zinc/07/20/06/172072006.db2.gz LGTNXSGSLIZDJR-UFBFGSQYSA-N 0 3 281.312 1.915 10 5 CDBEHN CC(C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000037395296 173175417 /nfs/dbraw/zinc/17/54/17/173175417.db2.gz SBULNTFKCDAQRY-UHFFFAOYSA-N 0 3 251.286 1.556 10 5 CDBEHN CN1CCC[C@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000044537576 175199848 /nfs/dbraw/zinc/19/98/48/175199848.db2.gz UJWOWSKVAXEJQU-SNVBAGLBSA-N 0 3 250.302 1.744 10 5 CDBEHN CCn1nncc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000417912571 227158576 /nfs/dbraw/zinc/15/85/76/227158576.db2.gz OMILPSUQMNSRSQ-UHFFFAOYSA-N 0 3 275.312 1.539 10 5 CDBEHN COCCN1CCCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000267509070 274026597 /nfs/dbraw/zinc/02/65/97/274026597.db2.gz PMVUNPHLDBYVRQ-UHFFFAOYSA-N 0 3 294.355 1.457 10 5 CDBEHN C[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CCN1 ZINC000420188355 274370134 /nfs/dbraw/zinc/37/01/34/274370134.db2.gz OICVEDGGLIDWFN-SNVBAGLBSA-N 0 3 272.308 1.941 10 5 CDBEHN C[C@H]1CNCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094772138 274604660 /nfs/dbraw/zinc/60/46/60/274604660.db2.gz IBOYVKKQLPDSBQ-QMMMGPOBSA-N 0 3 261.285 1.269 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(OCC(=O)N(C)C)c1 ZINC000050517035 520001959 /nfs/dbraw/zinc/00/19/59/520001959.db2.gz GOGLKSFHNVWWEP-UHFFFAOYSA-N 0 3 281.312 1.171 10 5 CDBEHN CCCN(CCO)CCc1ccccc1[N+](=O)[O-] ZINC000062727289 521667027 /nfs/dbraw/zinc/66/70/27/521667027.db2.gz DLZSFPMSNDLZPJ-UHFFFAOYSA-N 0 3 252.314 1.842 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(OCC(=O)N(C)C(C)C)c1 ZINC000050516877 522125288 /nfs/dbraw/zinc/12/52/88/522125288.db2.gz LXRXUMJFCCSMOV-UHFFFAOYSA-N 0 3 295.339 1.560 10 5 CDBEHN CN[C@](COc1ccc([N+](=O)[O-])c(C)c1)(C(N)=O)C1CC1 ZINC000069194253 522529703 /nfs/dbraw/zinc/52/97/03/522529703.db2.gz MKIWYCBVUFSGNH-AWEZNQCLSA-N 0 3 293.323 1.136 10 5 CDBEHN C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000187691359 524602891 /nfs/dbraw/zinc/60/28/91/524602891.db2.gz DTWDAEMFXOWVGJ-ZDUSSCGKSA-N 0 3 293.367 1.136 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1-n1nnnc1CNCC(C)C ZINC000054762396 525559540 /nfs/dbraw/zinc/55/95/40/525559540.db2.gz HQCBLOGFSPBKHD-UHFFFAOYSA-N 0 3 290.327 1.625 10 5 CDBEHN C[C@H](Oc1cc(CN)ccc1[N+](=O)[O-])C(=O)NC(C)(C)C ZINC000050516454 525923637 /nfs/dbraw/zinc/92/36/37/525923637.db2.gz HOHYVIQXHHBWJD-VIFPVBQESA-N 0 3 295.339 1.736 10 5 CDBEHN O=[N+]([O-])c1cccc(CNC[C@@H](O)c2cccnc2)c1 ZINC000771975884 575644064 /nfs/dbraw/zinc/64/40/64/575644064.db2.gz GCRMQYINNZCPIF-CQSZACIVSA-N 0 3 273.292 1.813 10 5 CDBEHN C[C@@H](OC(=O)C1CCN(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000774016559 575848541 /nfs/dbraw/zinc/84/85/41/575848541.db2.gz SWRDVCPXQBXAPD-BXKDBHETSA-N 0 3 292.291 1.677 10 5 CDBEHN O=[N+]([O-])c1cnc2c(c1)CN(CCCCCCO)CC2 ZINC000754216765 576885651 /nfs/dbraw/zinc/88/56/51/576885651.db2.gz UWXBRLGNZOBANT-UHFFFAOYSA-N 0 3 279.340 1.901 10 5 CDBEHN CC(COC(=O)Cc1ccc2c(c1)OCCO2)[N+](=O)[O-] ZINC000813108579 617345163 /nfs/dbraw/zinc/34/51/63/617345163.db2.gz HVSTWKQHCZNYOI-SECBINFHSA-N 0 3 281.264 1.209 10 5 CDBEHN Cn1cc([N+](=O)[O-])c(NCCN2CCC(C)(C)C2)n1 ZINC001643298338 1167241890 /nfs/dbraw/zinc/24/18/90/1167241890.db2.gz HXVBRDQMLVAEAC-UHFFFAOYSA-N 0 3 267.333 1.472 10 5 CDBEHN CC(COC(=O)CCC(=O)c1ccccn1)[N+](=O)[O-] ZINC000813107760 1163814491 /nfs/dbraw/zinc/81/44/91/1163814491.db2.gz VWEBNTIOKXAUCC-SECBINFHSA-N 0 3 266.253 1.253 10 5 CDBEHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1(CO)CC1 ZINC000782598848 705421333 /nfs/dbraw/zinc/42/13/33/705421333.db2.gz IYICVLMGOXSBSK-ZDUSSCGKSA-N 0 3 280.324 1.333 10 5 CDBEHN C[C@@H](NC[C@H](O)C1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000930208485 706237846 /nfs/dbraw/zinc/23/78/46/706237846.db2.gz QTFXWDDEPBDJON-MFKMUULPSA-N 0 3 280.324 1.521 10 5 CDBEHN CC(COC(=O)Cc1ccccc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813106676 710268014 /nfs/dbraw/zinc/26/80/14/710268014.db2.gz FVBXCTOQKITFRE-QMMMGPOBSA-N 0 3 268.225 1.346 10 5 CDBEHN COc1cc(C)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109983 710276137 /nfs/dbraw/zinc/27/61/37/710276137.db2.gz YCQUIFKAEVWULL-LURJTMIESA-N 0 3 259.283 1.887 10 5 CDBEHN CC(COC(=O)[C@H](C)Oc1ccc(F)cc1)[N+](=O)[O-] ZINC000813110678 711676415 /nfs/dbraw/zinc/67/64/15/711676415.db2.gz HKWWOUFYQLCQAH-BDAKNGLRSA-N 0 3 271.244 1.801 10 5 CDBEHN COc1ccc(OCCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102814 711796879 /nfs/dbraw/zinc/79/68/79/711796879.db2.gz VVBGWBUNYRCRJP-JTQLQIEISA-N 0 3 283.280 1.673 10 5 CDBEHN CC(C)(C)N1CC[C@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000855162322 928363878 /nfs/dbraw/zinc/36/38/78/928363878.db2.gz JABGEYKFPXRCCU-NSHDSACASA-N 0 3 285.388 1.811 10 5 CDBEHN CC(C)(C)O[C@@H]1C[C@@H](NCC[N+](=O)[O-])C12CCC2 ZINC000931022241 933494281 /nfs/dbraw/zinc/49/42/81/933494281.db2.gz NPJVVLCFENRDNK-GHMZBOCLSA-N 0 3 256.346 1.979 10 5 CDBEHN O=c1[n-]ccc(NC[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001559300687 965430757 /nfs/dbraw/zinc/43/07/57/965430757.db2.gz BBSDIFCEWMJWPQ-SNVBAGLBSA-N 0 3 278.312 1.449 10 5 CDBEHN CN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C(C)(C)C1 ZINC001597313729 1174267578 /nfs/dbraw/zinc/26/75/78/1174267578.db2.gz NBHPSHHBURUDAU-GFCCVEGCSA-N 0 3 292.339 1.247 10 5 CDBEHN CN1CCC[C@@H]1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000401247715 342483958 /nfs/dbraw/zinc/48/39/58/342483958.db2.gz AYBSPTIJZTVOPY-SECBINFHSA-N 0 3 254.265 1.635 10 5 CDBEHN CN1CCc2[nH]nc(-c3ccccc3[N+](=O)[O-])c2C1 ZINC000082807659 178309860 /nfs/dbraw/zinc/30/98/60/178309860.db2.gz XPFJYWDABBGYIF-UHFFFAOYSA-N 0 3 258.281 1.973 10 5 CDBEHN CN1C[C@H]2CCN(Cc3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000595501106 343078358 /nfs/dbraw/zinc/07/83/58/343078358.db2.gz HMEIDQZVNOIOSN-RISCZKNCSA-N 0 3 279.315 1.870 10 5 CDBEHN CCOc1ccc(C(=O)N(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000085362030 342381470 /nfs/dbraw/zinc/38/14/70/342381470.db2.gz NUUDZNKJOSTVIQ-UHFFFAOYSA-N 0 3 295.339 1.627 10 5 CDBEHN CCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000598343225 343771529 /nfs/dbraw/zinc/77/15/29/343771529.db2.gz SQJRKRUFRZLOAB-NSHDSACASA-N 0 3 292.339 1.512 10 5 CDBEHN Cc1ccc(CN[C@H]2C[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000599002533 343937188 /nfs/dbraw/zinc/93/71/88/343937188.db2.gz DXLULVQCCDOUOK-XYPYZODXSA-N 0 3 263.297 1.257 10 5 CDBEHN Cc1c([C@@H](C)NC[C@@H]2COCCN2C)cccc1[N+](=O)[O-] ZINC000599082576 343957066 /nfs/dbraw/zinc/95/70/66/343957066.db2.gz WITRAPRQXTWUHR-CHWSQXEVSA-N 0 3 293.367 1.884 10 5 CDBEHN Cc1c([C@@H](C)NC[C@H]2COCCN2C)cccc1[N+](=O)[O-] ZINC000599082577 343957173 /nfs/dbraw/zinc/95/71/73/343957173.db2.gz WITRAPRQXTWUHR-OLZOCXBDSA-N 0 3 293.367 1.884 10 5 CDBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](CO)[C@H](CO)C1 ZINC000599531322 344076261 /nfs/dbraw/zinc/07/62/61/344076261.db2.gz SHPBGDIRAYLMQP-DRZSPHRISA-N 0 3 280.324 1.188 10 5 CDBEHN C[C@@H](CO)[C@H](C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000265851766 362623944 /nfs/dbraw/zinc/62/39/44/362623944.db2.gz IEWVWCNRFJNIDL-UWVGGRQHSA-N 0 3 296.323 1.568 10 5 CDBEHN O=[N+]([O-])c1cccc([C@@H](O)CN2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000154232007 188130598 /nfs/dbraw/zinc/13/05/98/188130598.db2.gz VTISCCLLCYWYBA-KNUOEEMSSA-N 0 3 292.335 1.616 10 5 CDBEHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000037890363 356549408 /nfs/dbraw/zinc/54/94/08/356549408.db2.gz TUSCMQWLTNYDPB-ONGXEEELSA-N 0 3 296.352 1.565 10 5 CDBEHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H]2CCCN2C[C@H]1C ZINC000578692233 356777206 /nfs/dbraw/zinc/77/72/06/356777206.db2.gz MRKUJZAENNHLOY-ZYHUDNBSSA-N 0 3 293.371 1.793 10 5 CDBEHN C[C@@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])s2)CCN1C ZINC000192463864 358205705 /nfs/dbraw/zinc/20/57/05/358205705.db2.gz ZHNAWZRUCYSPRY-RKDXNWHRSA-N 0 3 270.358 1.970 10 5 CDBEHN CC(C)(C)[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1O ZINC000347787199 359647022 /nfs/dbraw/zinc/64/70/22/359647022.db2.gz HSOZYIBQUYSXCT-RYUDHWBXSA-N 0 3 296.371 1.520 10 5 CDBEHN COC[C@]1(CO)CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000451922175 360234195 /nfs/dbraw/zinc/23/41/95/360234195.db2.gz DYWNSQZOGZLGHG-IUODEOHRSA-N 0 3 294.351 1.987 10 5 CDBEHN Cc1nc(N(C)[C@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000348343850 367138822 /nfs/dbraw/zinc/13/88/22/367138822.db2.gz AVFLGPZSOWTAIC-LBPRGKRZSA-N 0 3 276.340 1.971 10 5 CDBEHN COC[C@](C)(O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000449385477 374805388 /nfs/dbraw/zinc/80/53/88/374805388.db2.gz QQGGKZYEKLFQDK-CYBMUJFWSA-N 0 3 268.313 1.472 10 5 CDBEHN O=[N+]([O-])c1cccc(CNC[C@H]2CCCCN2CCO)c1 ZINC000449389075 374806372 /nfs/dbraw/zinc/80/63/72/374806372.db2.gz BVUDHXRFKNPHJW-OAHLLOKOSA-N 0 3 293.367 1.531 10 5 CDBEHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000037890364 374963590 /nfs/dbraw/zinc/96/35/90/374963590.db2.gz TUSCMQWLTNYDPB-KOLCDFICSA-N 0 3 296.352 1.565 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN1CC[C@H](CCO)C1 ZINC000227573178 375567632 /nfs/dbraw/zinc/56/76/32/375567632.db2.gz NYHPCKUURVNSFB-LLVKDONJSA-N 0 3 250.298 1.799 10 5 CDBEHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN2CCC[C@H]2C1 ZINC000171584570 376834023 /nfs/dbraw/zinc/83/40/23/376834023.db2.gz OVPSGDHZUIVYDH-AWEZNQCLSA-N 0 3 289.335 1.444 10 5 CDBEHN CN(c1ccc([N+](=O)[O-])nc1)[C@@H]1CCCN(C)C1 ZINC000450354384 251240951 /nfs/dbraw/zinc/24/09/51/251240951.db2.gz LNLZBRIGZDJCMH-LLVKDONJSA-N 0 3 250.302 1.520 10 5 CDBEHN CCN1CCC[C@@H]1CNc1ccncc1[N+](=O)[O-] ZINC000020370358 171167631 /nfs/dbraw/zinc/16/76/31/171167631.db2.gz QAWINQBZGGFTJC-SNVBAGLBSA-N 0 3 250.302 1.886 10 5 CDBEHN CN1CC[C@H]2OCCN(Cc3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000284643681 196102403 /nfs/dbraw/zinc/10/24/03/196102403.db2.gz OESMFECOWFICQQ-VXGBXAGGSA-N 0 3 297.380 1.561 10 5 CDBEHN COC(=O)CCCNCc1ccc([N+](=O)[O-])cc1 ZINC000037488213 173231061 /nfs/dbraw/zinc/23/10/61/173231061.db2.gz RYVSWMMLJDYEJB-UHFFFAOYSA-N 0 3 252.270 1.638 10 5 CDBEHN CN1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000040673454 174372269 /nfs/dbraw/zinc/37/22/69/174372269.db2.gz NQCOJAYXHHXSKM-MRVPVSSYSA-N 0 3 277.284 1.637 10 5 CDBEHN C[C@@H](CNCc1cc(F)ccc1[N+](=O)[O-])N(C)C ZINC000045107527 175307951 /nfs/dbraw/zinc/30/79/51/175307951.db2.gz RDAKQHKMCOOVQF-VIFPVBQESA-N 0 3 255.293 1.774 10 5 CDBEHN O=[N+]([O-])c1ccc(F)cc1CNC[C@H](O)C1CC1 ZINC000071305420 176115718 /nfs/dbraw/zinc/11/57/18/176115718.db2.gz MXCMENIRKGAFJB-LBPRGKRZSA-N 0 3 254.261 1.594 10 5 CDBEHN C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)CN1C ZINC000408453175 274368377 /nfs/dbraw/zinc/36/83/77/274368377.db2.gz RBYGRIZGIGVEOB-NXEZZACHSA-N 0 3 289.339 2.000 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN1C ZINC000194722336 280051231 /nfs/dbraw/zinc/05/12/31/280051231.db2.gz YAKLTIPUFFKKOI-JTQLQIEISA-N 0 3 278.312 1.122 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN[C@H](c2cccnc2)C2CC2)n1 ZINC000527324086 281127178 /nfs/dbraw/zinc/12/71/78/281127178.db2.gz BSWTZMAJOCRFFX-AWEZNQCLSA-N 0 3 287.323 1.927 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(O[C@@H](C)C(=O)OC)c1 ZINC000050516910 520000920 /nfs/dbraw/zinc/00/09/20/520000920.db2.gz AYNLKHVCMPBNHF-VIFPVBQESA-N 0 3 282.296 1.645 10 5 CDBEHN CN[C@](C)(C[C@@H](C)Oc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000068651558 522519404 /nfs/dbraw/zinc/51/94/04/522519404.db2.gz KPFRSJCEIDDLMX-NOZJJQNGSA-N 0 3 281.312 1.216 10 5 CDBEHN CN[C@@](C)(C[C@@H](C)Oc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000068651551 522415803 /nfs/dbraw/zinc/41/58/03/522415803.db2.gz KPFRSJCEIDDLMX-RNCFNFMXSA-N 0 3 281.312 1.216 10 5 CDBEHN CN[C@@](COc1cc([N+](=O)[O-])ccc1C)(C(N)=O)C1CC1 ZINC000069194337 522429777 /nfs/dbraw/zinc/42/97/77/522429777.db2.gz MDJQJDHBGOIIFF-CQSZACIVSA-N 0 3 293.323 1.136 10 5 CDBEHN COCCN(C)CCNc1ccc(OC)cc1[N+](=O)[O-] ZINC000061379699 523616134 /nfs/dbraw/zinc/61/61/34/523616134.db2.gz WUJJJCRYIYWMCY-UHFFFAOYSA-N 0 3 283.328 1.594 10 5 CDBEHN COCCNCc1cnc(-c2ccc([N+](=O)[O-])cc2)nc1 ZINC000054856807 523957201 /nfs/dbraw/zinc/95/72/01/523957201.db2.gz BKGIWQJLZUSLFU-UHFFFAOYSA-N 0 3 288.307 1.788 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C(N)=O)C1 ZINC000183224331 525563542 /nfs/dbraw/zinc/56/35/42/525563542.db2.gz JYYPYQICCQBRQO-NSHDSACASA-N 0 3 263.297 1.210 10 5 CDBEHN NNc1ccc(CN2CCC[C@@H]2CCCO)cc1[N+](=O)[O-] ZINC000052763263 527278605 /nfs/dbraw/zinc/27/86/05/527278605.db2.gz CZAQLFFHSMQNDN-GFCCVEGCSA-N 0 3 294.355 1.617 10 5 CDBEHN CC1(C)CCCN[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000232817635 535298076 /nfs/dbraw/zinc/29/80/76/535298076.db2.gz MWPKAIOZLCQISC-CYBMUJFWSA-N 0 3 291.351 1.989 10 5 CDBEHN Cc1cc(F)cc(C(=O)NC[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000758484242 577110772 /nfs/dbraw/zinc/11/07/72/577110772.db2.gz CMBMDMXUOCRWIM-NSHDSACASA-N 0 3 295.314 1.866 10 5 CDBEHN CC(COC(=O)[C@@H]1CSCCS1)[N+](=O)[O-] ZINC000813113987 617347687 /nfs/dbraw/zinc/34/76/87/617347687.db2.gz KTDCDUQFDLFTGZ-BQBZGAKWSA-N 0 3 251.329 1.043 10 5 CDBEHN C[C@@H]1[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000928430207 619006001 /nfs/dbraw/zinc/00/60/01/619006001.db2.gz FQOLCJNCDDOKBL-SKDRFNHKSA-N 0 3 295.314 1.485 10 5 CDBEHN O=[N+]([O-])c1cnccc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252667595 1177231138 /nfs/dbraw/zinc/23/11/38/1177231138.db2.gz LYWNZQGMBPEIBH-WDEREUQCSA-N 0 3 278.312 1.265 10 5 CDBEHN CC(COC(=O)CCCc1ccccn1)[N+](=O)[O-] ZINC000813106093 1163814126 /nfs/dbraw/zinc/81/41/26/1163814126.db2.gz YEXPFKQTTPYQOA-JTQLQIEISA-N 0 3 252.270 1.613 10 5 CDBEHN CC(COC(=O)[C@@H]1CCCN1Cc1ccccc1)[N+](=O)[O-] ZINC000813113873 1163816316 /nfs/dbraw/zinc/81/63/16/1163816316.db2.gz VQSOUJQYEVFOEH-OCCSQVGLSA-N 0 3 292.335 1.859 10 5 CDBEHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1F ZINC000813109517 712065906 /nfs/dbraw/zinc/06/59/06/712065906.db2.gz KITZUHPTNKOVBL-ZETCQYMHSA-N 0 3 257.217 1.656 10 5 CDBEHN COc1ccc(CNCCC(=O)N(C)OC)cc1[N+](=O)[O-] ZINC000806628096 712413080 /nfs/dbraw/zinc/41/30/80/712413080.db2.gz SAMHSNJVWWUZHG-UHFFFAOYSA-N 0 3 297.311 1.103 10 5 CDBEHN CC(COC(=O)[C@H](C)NC(=O)CC(C)(C)C)[N+](=O)[O-] ZINC000813104033 712774128 /nfs/dbraw/zinc/77/41/28/712774128.db2.gz WNHVFDIEKLDGTP-BDAKNGLRSA-N 0 3 274.317 1.136 10 5 CDBEHN C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)[C@H](C)CN1C ZINC000588010630 342490508 /nfs/dbraw/zinc/49/05/08/342490508.db2.gz XPODZCRBUCQZNW-NXEZZACHSA-N 0 3 294.355 1.198 10 5 CDBEHN Cc1cccc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590443530 342546386 /nfs/dbraw/zinc/54/63/86/342546386.db2.gz KPPWNRWILGTQTM-YPMHNXCESA-N 0 3 289.335 1.679 10 5 CDBEHN Cn1cnc(CCCNCc2csc([N+](=O)[O-])c2)n1 ZINC000592373472 342686651 /nfs/dbraw/zinc/68/66/51/342686651.db2.gz SHXYLTOZWCBIRF-UHFFFAOYSA-N 0 3 281.341 1.507 10 5 CDBEHN NC1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCCC1 ZINC000592562177 342709998 /nfs/dbraw/zinc/70/99/98/342709998.db2.gz HFNVOMRIQFXVDZ-UHFFFAOYSA-N 0 3 290.323 1.146 10 5 CDBEHN CO[C@@](C)(CO)CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000594509039 342915023 /nfs/dbraw/zinc/91/50/23/342915023.db2.gz HIDJMBAGWNBLNP-BRLPQQTGSA-N 0 3 280.324 1.595 10 5 CDBEHN O=C(CN[C@H](CO)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000595614994 343109587 /nfs/dbraw/zinc/10/95/87/343109587.db2.gz FHCSBQDKAUVVFE-GFCCVEGCSA-N 0 3 293.323 1.284 10 5 CDBEHN O=[N+]([O-])c1ccc(OCCCN2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000595769188 343146423 /nfs/dbraw/zinc/14/64/23/343146423.db2.gz RZCZYHSGOHMRMQ-SWLSCSKDSA-N 0 3 292.335 1.820 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](CCF)C2)c1 ZINC000595754420 343153157 /nfs/dbraw/zinc/15/31/57/343153157.db2.gz BDDGACJQBXYDQH-NSHDSACASA-N 0 3 270.308 1.863 10 5 CDBEHN O=[N+]([O-])c1ccccc1OCCN1CCC2(COC2)C1 ZINC000595836236 343171671 /nfs/dbraw/zinc/17/16/71/343171671.db2.gz WAGOZBVBDUJCFC-UHFFFAOYSA-N 0 3 278.308 1.696 10 5 CDBEHN O=C(NCc1cccc([N+](=O)[O-])c1)C1(NC2CC2)CCC1 ZINC000595924983 343193189 /nfs/dbraw/zinc/19/31/89/343193189.db2.gz LVMNUCRKVRPRTG-UHFFFAOYSA-N 0 3 289.335 1.886 10 5 CDBEHN CC[NH+](CC)CC[C@H](CO)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596218929 343269747 /nfs/dbraw/zinc/26/97/47/343269747.db2.gz KSGXOMLBTQUXNR-SNVBAGLBSA-N 0 3 298.343 1.200 10 5 CDBEHN CC(C)(C)N1CC[C@@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000596337389 343297834 /nfs/dbraw/zinc/29/78/34/343297834.db2.gz WGPFAJLKCVAREW-SNVBAGLBSA-N 0 3 264.329 1.696 10 5 CDBEHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1cn(C)nn1 ZINC000611973645 346943498 /nfs/dbraw/zinc/94/34/98/346943498.db2.gz UWCUIDZYBGULSW-LLVKDONJSA-N 0 3 289.339 1.834 10 5 CDBEHN CN(C)[C@]1(CNc2ccncc2[N+](=O)[O-])CCSC1 ZINC000360991344 357766972 /nfs/dbraw/zinc/76/69/72/357766972.db2.gz SIWFGLDPCSVLMW-LBPRGKRZSA-N 0 3 282.369 1.261 10 5 CDBEHN CC1(C)[C@H](O)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000361401430 358174421 /nfs/dbraw/zinc/17/44/21/358174421.db2.gz BDBMMONSPVVNJW-CYBMUJFWSA-N 0 3 280.324 1.819 10 5 CDBEHN C[C@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])s2)CCN1C ZINC000192463894 358205677 /nfs/dbraw/zinc/20/56/77/358205677.db2.gz ZHNAWZRUCYSPRY-IUCAKERBSA-N 0 3 270.358 1.970 10 5 CDBEHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000514583558 360201962 /nfs/dbraw/zinc/20/19/62/360201962.db2.gz HFPAVZHGVVXZMY-GFCCVEGCSA-N 0 3 292.339 1.545 10 5 CDBEHN COc1cc(NC[C@H]2CNCCO2)c([N+](=O)[O-])cc1F ZINC000147225066 361351397 /nfs/dbraw/zinc/35/13/97/361351397.db2.gz HFHPYKNAKIZNAH-MRVPVSSYSA-N 0 3 285.275 1.143 10 5 CDBEHN C[C@H](CO)[C@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000272355194 367694134 /nfs/dbraw/zinc/69/41/34/367694134.db2.gz DSBSFKQESCZOEQ-BDAKNGLRSA-N 0 3 256.277 1.840 10 5 CDBEHN C[C@H]1C[C@H](N(C)c2c([N+](=O)[O-])ncn2C)CCN1C ZINC000266213796 371114450 /nfs/dbraw/zinc/11/44/50/371114450.db2.gz GRDAOROOMRFKAK-VHSXEESVSA-N 0 3 267.333 1.247 10 5 CDBEHN O=[N+]([O-])c1ccc(C2=[N+]([O-])[C@H]3CCCC[C@@H]3[N+]([O-])=C2)cc1 ZINC000225405032 374299744 /nfs/dbraw/zinc/29/97/44/374299744.db2.gz IHKVUPKKDOPRNE-STQMWFEESA-N 0 3 291.307 1.583 10 5 CDBEHN O=[N+]([O-])c1ccc(N2CC[C@@H](N3CC=CC3)C2)cn1 ZINC000361104499 285128368 /nfs/dbraw/zinc/12/83/68/285128368.db2.gz FCTVSHYHKDSDDH-GFCCVEGCSA-N 0 3 260.297 1.440 10 5 CDBEHN C[C@H](CCNCc1cccc([N+](=O)[O-])c1)[S@](C)=O ZINC000129439154 391232001 /nfs/dbraw/zinc/23/20/01/391232001.db2.gz WQOXNQKVANEWEV-MLCYQJTMSA-N 0 3 270.354 1.842 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000195320935 140153965 /nfs/dbraw/zinc/15/39/65/140153965.db2.gz LPNIUDDEDWBAES-LLVKDONJSA-N 0 3 290.323 1.218 10 5 CDBEHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000352246965 155053170 /nfs/dbraw/zinc/05/31/70/155053170.db2.gz UUUFGDXANXLYDV-UWVGGRQHSA-N 0 3 295.343 1.311 10 5 CDBEHN CCN1CCC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000040503195 174300045 /nfs/dbraw/zinc/30/00/45/174300045.db2.gz GLWYGVWAIJNKEW-JTQLQIEISA-N 0 3 250.302 1.886 10 5 CDBEHN N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043299769 175000497 /nfs/dbraw/zinc/00/04/97/175000497.db2.gz HWNUAVRVWIVCLQ-KOLCDFICSA-N 0 3 270.310 1.029 10 5 CDBEHN CCCN[C@H]1CCN(c2cc([N+](=O)[O-])ccc2OC)C1=O ZINC000071038652 176026974 /nfs/dbraw/zinc/02/69/74/176026974.db2.gz AZMIUAUMOFMHFQ-NSHDSACASA-N 0 3 293.323 1.708 10 5 CDBEHN COCC[C@H](COC)NCc1ccc([N+](=O)[O-])cc1 ZINC000336814350 277553096 /nfs/dbraw/zinc/55/30/96/277553096.db2.gz FLCVLCRRZYVEHJ-GFCCVEGCSA-N 0 3 268.313 1.736 10 5 CDBEHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000282521065 278280482 /nfs/dbraw/zinc/28/04/82/278280482.db2.gz YFATYBPTYSNAJG-UMNHJUIQSA-N 0 3 277.324 1.913 10 5 CDBEHN C[C@H]1CN2CCC[C@@H]2CN1c1ncccc1[N+](=O)[O-] ZINC000113248298 300316994 /nfs/dbraw/zinc/31/69/94/300316994.db2.gz LXIBTTVWDJBNMP-WDEREUQCSA-N 0 3 262.313 1.663 10 5 CDBEHN CC(C)N[C@H](CCSc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000062596666 519738411 /nfs/dbraw/zinc/73/84/11/519738411.db2.gz ABRXUEQYVPHPGT-GFCCVEGCSA-N 0 3 297.380 1.929 10 5 CDBEHN CCNCc1ccc(OCCC(=O)OC)c([N+](=O)[O-])c1 ZINC000069316913 519999901 /nfs/dbraw/zinc/99/99/01/519999901.db2.gz PHFXPHQKGRVPQQ-UHFFFAOYSA-N 0 3 282.296 1.646 10 5 CDBEHN COC(=O)CCOc1cc([N+](=O)[O-])c(CN)cc1OC ZINC000069317144 523103862 /nfs/dbraw/zinc/10/38/62/523103862.db2.gz QFFUYMVQUPOKIT-UHFFFAOYSA-N 0 3 284.268 1.004 10 5 CDBEHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050815293 524647108 /nfs/dbraw/zinc/64/71/08/524647108.db2.gz FAIDLXVCSOGION-KOLCDFICSA-N 0 3 292.339 1.263 10 5 CDBEHN N[C@H]1CC(=O)N(C2CC2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000070293915 527394118 /nfs/dbraw/zinc/39/41/18/527394118.db2.gz RBYHEURJBFNNMV-GXFFZTMASA-N 0 3 261.281 1.358 10 5 CDBEHN Nc1ccc(CN2CCCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000050792866 527482250 /nfs/dbraw/zinc/48/22/50/527482250.db2.gz SOOKHXVEFRYNLS-GFCCVEGCSA-N 0 3 279.340 1.914 10 5 CDBEHN Cc1nn(C)c(N[C@H](CN(C)C)C(C)C)c1[N+](=O)[O-] ZINC000049218664 527679438 /nfs/dbraw/zinc/67/94/38/527679438.db2.gz QOWNSFJVSCNKAZ-SNVBAGLBSA-N 0 3 269.349 1.635 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@@H]1C ZINC000744347767 576676694 /nfs/dbraw/zinc/67/66/94/576676694.db2.gz CNTKXWMEFYLGQP-JTQLQIEISA-N 0 3 292.339 1.512 10 5 CDBEHN CC(COC(=O)C(C)(C)COCC(F)F)[N+](=O)[O-] ZINC000813101650 617341987 /nfs/dbraw/zinc/34/19/87/617341987.db2.gz GEFWFZATGQVMHO-ZETCQYMHSA-N 0 3 269.244 1.503 10 5 CDBEHN CC(COC(=O)[C@@H](C)Oc1ccccc1F)[N+](=O)[O-] ZINC000813111923 617346424 /nfs/dbraw/zinc/34/64/24/617346424.db2.gz BFNHJRWEBDDKLQ-RKDXNWHRSA-N 0 3 271.244 1.801 10 5 CDBEHN CC(COC(=O)[C@H](C)N(C)CC(F)(F)F)[N+](=O)[O-] ZINC000813112120 617346566 /nfs/dbraw/zinc/34/65/66/617346566.db2.gz BUDOGYYEKJDDSE-RQJHMYQMSA-N 0 3 272.223 1.077 10 5 CDBEHN COc1cc([N+](=O)[O-])cnc1N1CCN2CCC[C@H]2C1 ZINC000892387997 618117725 /nfs/dbraw/zinc/11/77/25/618117725.db2.gz HOLRQIMYEUKBQG-JTQLQIEISA-N 0 3 278.312 1.283 10 5 CDBEHN Cc1ccc(O[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813107928 1163814037 /nfs/dbraw/zinc/81/40/37/1163814037.db2.gz RUKROJOIYYSMQW-GHMZBOCLSA-N 0 3 267.281 1.971 10 5 CDBEHN COCC(=O)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001715781292 1179806521 /nfs/dbraw/zinc/80/65/21/1179806521.db2.gz RSODINCTQGUZBC-NSCUHMNNSA-N 0 3 293.323 1.003 10 5 CDBEHN Cc1nn(C(F)F)c(C)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813100209 1163804104 /nfs/dbraw/zinc/80/41/04/1163804104.db2.gz PHKAJLKDXTVFOP-LURJTMIESA-N 0 3 291.254 1.646 10 5 CDBEHN CC(COC(=O)c1ccc([S@@](C)=O)cc1)[N+](=O)[O-] ZINC000813113635 1163817893 /nfs/dbraw/zinc/81/78/93/1163817893.db2.gz HFTNKSLHZSDCMS-DCXZOGHSSA-N 0 3 271.294 1.246 10 5 CDBEHN O=[N+]([O-])c1ccc(CN2CCOC3(CNC3)C2)cc1Cl ZINC000853249306 927994257 /nfs/dbraw/zinc/99/42/57/927994257.db2.gz PGBDZICTGMZPIJ-UHFFFAOYSA-N 0 3 297.742 1.422 10 5 CDBEHN CC[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000856409479 928591481 /nfs/dbraw/zinc/59/14/81/928591481.db2.gz SOCNCSKIUCPZPJ-GXSJLCMTSA-N 0 3 295.314 1.946 10 5 CDBEHN CON(C)C(=O)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000787731461 929417513 /nfs/dbraw/zinc/41/75/13/929417513.db2.gz RMSLRRKCVJUKHZ-NSHDSACASA-N 0 3 295.339 1.964 10 5 CDBEHN C[C@H](C(=O)N[C@@H]1CCN(C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000928444805 933146176 /nfs/dbraw/zinc/14/61/76/933146176.db2.gz VBWMQYFETUVEHY-MISXGVKJSA-N 0 3 291.351 1.907 10 5 CDBEHN C[C@@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000928454693 933148684 /nfs/dbraw/zinc/14/86/84/933148684.db2.gz CPBXSKXUHOOVIO-SKDRFNHKSA-N 0 3 263.297 1.417 10 5 CDBEHN Cc1sc(C(=O)NOCCN(C)C)cc1[N+](=O)[O-] ZINC001261741706 946257198 /nfs/dbraw/zinc/25/71/98/946257198.db2.gz YAJZCYKTFYRPQK-UHFFFAOYSA-N 0 3 273.314 1.188 10 5 CDBEHN COCCOC[C@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000294950169 199267041 /nfs/dbraw/zinc/26/70/41/199267041.db2.gz IYGVUMPTPRMMJS-VXGBXAGGSA-N 0 3 298.339 1.269 10 5 CDBEHN NC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000401738670 342645203 /nfs/dbraw/zinc/64/52/03/342645203.db2.gz QJGBWFYRRASTPQ-SECBINFHSA-N 0 3 291.229 1.143 10 5 CDBEHN Cc1ccc([C@@H](C)N[C@H]2C[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000593718772 342828423 /nfs/dbraw/zinc/82/84/23/342828423.db2.gz OXEFKSLMUFOMGT-JLLWLGSASA-N 0 3 277.324 1.818 10 5 CDBEHN CCc1ccc(C(=O)N2CC[C@@H](F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000595261420 343014548 /nfs/dbraw/zinc/01/45/48/343014548.db2.gz ZLVOGDDUSXUEQI-VXGBXAGGSA-N 0 3 295.314 1.669 10 5 CDBEHN O=C(CN[C@@H](CO)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000595614996 343109528 /nfs/dbraw/zinc/10/95/28/343109528.db2.gz FHCSBQDKAUVVFE-LBPRGKRZSA-N 0 3 293.323 1.284 10 5 CDBEHN N[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[C@H]1F ZINC000596033692 343217558 /nfs/dbraw/zinc/21/75/58/343217558.db2.gz VASKQLDNFTVJGC-HTQZYQBOSA-N 0 3 297.315 1.475 10 5 CDBEHN C[C@H](NC[C@H](O)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000599067307 343948122 /nfs/dbraw/zinc/94/81/22/343948122.db2.gz ZFVKFLMEASCQLX-BPNCWPANSA-N 0 3 280.324 1.785 10 5 CDBEHN CN(Cc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599644723 344112064 /nfs/dbraw/zinc/11/20/64/344112064.db2.gz MWNQGYCUIHOMPB-KLPPZKSPSA-N 0 3 263.297 1.291 10 5 CDBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](CO)[C@H](CO)C1 ZINC000599531323 344076333 /nfs/dbraw/zinc/07/63/33/344076333.db2.gz SHPBGDIRAYLMQP-WXHSDQCUSA-N 0 3 280.324 1.188 10 5 CDBEHN CN1CCC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000052522302 346445435 /nfs/dbraw/zinc/44/54/35/346445435.db2.gz UEUORFFKQYPJFY-LBPRGKRZSA-N 0 3 292.339 1.488 10 5 CDBEHN Cc1cc(OC[C@@H]2CNCCO2)c(F)cc1[N+](=O)[O-] ZINC000123455012 348160266 /nfs/dbraw/zinc/16/02/66/348160266.db2.gz ITLXTASEGJZSES-VIFPVBQESA-N 0 3 270.260 1.410 10 5 CDBEHN C[C@@H](CCNCc1ccccc1[N+](=O)[O-])[S@@](C)=O ZINC000129344243 362892736 /nfs/dbraw/zinc/89/27/36/362892736.db2.gz KSNRRLMDHLEFQR-YPMLDQLKSA-N 0 3 270.354 1.842 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264931620 358779474 /nfs/dbraw/zinc/77/94/74/358779474.db2.gz SNUYAVSVIHWSCM-ZDUSSCGKSA-N 0 3 277.324 1.348 10 5 CDBEHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@]2(O)CCN(C)C2)n1 ZINC000358324910 360956311 /nfs/dbraw/zinc/95/63/11/360956311.db2.gz CIPCHLZKQGRYPG-ZDUSSCGKSA-N 0 3 280.328 1.085 10 5 CDBEHN CC[C@H](CO)N1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000266241900 371728223 /nfs/dbraw/zinc/72/82/23/371728223.db2.gz XQVOQKHXWJOLQH-CYBMUJFWSA-N 0 3 293.367 1.796 10 5 CDBEHN COc1cc(N2CCN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000302755224 375246258 /nfs/dbraw/zinc/24/62/58/375246258.db2.gz IHJDIVUNUMJMCR-UHFFFAOYSA-N 0 3 277.324 1.888 10 5 CDBEHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN2C)c1 ZINC000194687722 375949344 /nfs/dbraw/zinc/94/93/44/375949344.db2.gz SUTMVOUHDQBXAA-JTQLQIEISA-N 0 3 293.323 1.427 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CN1CCN2CCC[C@@H]2C1 ZINC000171643589 376889571 /nfs/dbraw/zinc/88/95/71/376889571.db2.gz VSSLIVWTBLSXHN-CQSZACIVSA-N 0 3 291.351 1.883 10 5 CDBEHN CCOC1CC(O)(CNCc2ccc([N+](=O)[O-])cc2C)C1 ZINC000444017553 250074233 /nfs/dbraw/zinc/07/42/33/250074233.db2.gz RDJGXLGOTKXINN-UHFFFAOYSA-N 0 3 294.351 1.923 10 5 CDBEHN CC(C)N1CC[C@H](Nc2c([N+](=O)[O-])ncn2C)C1 ZINC000049281837 390680977 /nfs/dbraw/zinc/68/09/77/390680977.db2.gz RYOWEIXKFXPRTP-VIFPVBQESA-N 0 3 253.306 1.223 10 5 CDBEHN CC(C)N(CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCOC1 ZINC000291712368 391051577 /nfs/dbraw/zinc/05/15/77/391051577.db2.gz IQLARIZLIXBDEV-LLVKDONJSA-N 0 3 268.317 1.291 10 5 CDBEHN CCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532397309 393072701 /nfs/dbraw/zinc/07/27/01/393072701.db2.gz ABNWXRZLYFNVOV-SNVBAGLBSA-N 0 3 278.312 1.204 10 5 CDBEHN C[C@@H](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N(C)C ZINC000358850025 158050001 /nfs/dbraw/zinc/05/00/01/158050001.db2.gz FUSHUZQZFXYKQY-QMMMGPOBSA-N 0 3 277.280 1.141 10 5 CDBEHN CN(C(=O)c1ccc(F)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000037247989 173060031 /nfs/dbraw/zinc/06/00/31/173060031.db2.gz OTXQSOPIXNLFDU-UHFFFAOYSA-N 0 3 295.314 1.900 10 5 CDBEHN CN1CCC(OC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000040430362 174259966 /nfs/dbraw/zinc/25/99/66/174259966.db2.gz XXKAWQWSPMHULU-UHFFFAOYSA-N 0 3 279.296 1.428 10 5 CDBEHN CCN1CCC[C@@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000040503268 174299753 /nfs/dbraw/zinc/29/97/53/174299753.db2.gz UOWYWVKFISERHE-SNVBAGLBSA-N 0 3 250.302 1.886 10 5 CDBEHN CO[C@@H]1CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000040632957 174359378 /nfs/dbraw/zinc/35/93/78/174359378.db2.gz GPNGSHVTMJDVRT-KWQFWETISA-N 0 3 299.714 1.564 10 5 CDBEHN CO[C@H]1CN[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000040633257 174359416 /nfs/dbraw/zinc/35/94/16/174359416.db2.gz PVHAJNDLWOHYHC-MWLCHTKSSA-N 0 3 279.296 1.219 10 5 CDBEHN CNCc1cc([N+](=O)[O-])ccc1OCCCC(=O)N(C)C ZINC000043448068 175049111 /nfs/dbraw/zinc/04/91/11/175049111.db2.gz ZUBCGWCKOCFFDC-UHFFFAOYSA-N 0 3 295.339 1.561 10 5 CDBEHN O=C1[C@@H](NC2CC2)CCN1c1ccc(F)c([N+](=O)[O-])c1 ZINC000071039935 176027201 /nfs/dbraw/zinc/02/72/01/176027201.db2.gz LAZGNPLCCRLVJF-NSHDSACASA-N 0 3 279.271 1.591 10 5 CDBEHN O=C1[C@H](NC2CC2)CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000071042428 176028453 /nfs/dbraw/zinc/02/84/53/176028453.db2.gz NMRYLSCPPWVLSB-CQSZACIVSA-N 0 3 289.335 1.838 10 5 CDBEHN CCC[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000178650851 273616483 /nfs/dbraw/zinc/61/64/83/273616483.db2.gz ZYFFKKQGVJNZGY-ZDUSSCGKSA-N 0 3 279.340 1.941 10 5 CDBEHN O=[N+]([O-])c1cnc2ccccc2c1N1CCNCC1 ZINC000044628670 275041829 /nfs/dbraw/zinc/04/18/29/275041829.db2.gz WNGDEAMVWDYXAR-UHFFFAOYSA-N 0 3 258.281 1.553 10 5 CDBEHN CCN1CCCC[C@@H]1CNc1ccncc1[N+](=O)[O-] ZINC000347316433 276155237 /nfs/dbraw/zinc/15/52/37/276155237.db2.gz PFPSEKAMIZGMNO-LLVKDONJSA-N 0 3 264.329 1.698 10 5 CDBEHN O=[N+]([O-])c1c(N2CCN3CCC[C@@H]3C2)nc2sccn21 ZINC000042098720 289050575 /nfs/dbraw/zinc/05/05/75/289050575.db2.gz DXWSBRVFERFYAS-SECBINFHSA-N 0 3 293.352 1.588 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNCCN1CCOCC1 ZINC000568918427 294124214 /nfs/dbraw/zinc/12/42/14/294124214.db2.gz FKNZEOUMFJBKDJ-UHFFFAOYSA-N 0 3 279.340 1.325 10 5 CDBEHN CNCc1ccc(OCCC(=O)OC)c([N+](=O)[O-])c1 ZINC000069316909 522123459 /nfs/dbraw/zinc/12/34/59/522123459.db2.gz YFDBMHMYBPIGKI-UHFFFAOYSA-N 0 3 268.269 1.256 10 5 CDBEHN CC(C)CNCc1cc([N+](=O)[O-])ccc1O[C@@H](C)C(N)=O ZINC000062732056 519747257 /nfs/dbraw/zinc/74/72/57/519747257.db2.gz TYFUCVPQHQPNDB-JTQLQIEISA-N 0 3 295.339 1.593 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(OC[C@H](C)O)c1 ZINC000050516962 520001525 /nfs/dbraw/zinc/00/15/25/520001525.db2.gz DUIMZRKLUWEILJ-VIFPVBQESA-N 0 3 254.286 1.464 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(OC[C@H](O)COC)c1 ZINC000069053776 520002418 /nfs/dbraw/zinc/00/24/18/520002418.db2.gz OKJPHSMPMPXYKM-LLVKDONJSA-N 0 3 284.312 1.090 10 5 CDBEHN CCN(CC)C(=O)[C@@H](C)Oc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516512 520522496 /nfs/dbraw/zinc/52/24/96/520522496.db2.gz TWKOGPWFFRIPIM-SNVBAGLBSA-N 0 3 295.339 1.689 10 5 CDBEHN CN(C)C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000061644497 521863354 /nfs/dbraw/zinc/86/33/54/521863354.db2.gz SMIWQRJOMIOBSB-LLVKDONJSA-N 0 3 295.314 1.900 10 5 CDBEHN COCC[C@H](N)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000052792405 521947392 /nfs/dbraw/zinc/94/73/92/521947392.db2.gz CCTMBVSTQYQLMA-VIFPVBQESA-N 0 3 287.703 1.551 10 5 CDBEHN C[C@H](C[C@](C)(N)C(N)=O)Oc1ccc([N+](=O)[O-])cc1F ZINC000068651445 524654313 /nfs/dbraw/zinc/65/43/13/524654313.db2.gz JZPXNITWHSOQKL-KRTXAFLBSA-N 0 3 285.275 1.094 10 5 CDBEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000069132973 525101244 /nfs/dbraw/zinc/10/12/44/525101244.db2.gz ZQVHYVHOWLHUAU-OCAPTIKFSA-N 0 3 269.326 1.479 10 5 CDBEHN Cc1cc(OCC[C@@H](NC2CC2)C(N)=O)ccc1[N+](=O)[O-] ZINC000062540000 525372283 /nfs/dbraw/zinc/37/22/83/525372283.db2.gz XPVIPVPJMQZLIK-GFCCVEGCSA-N 0 3 293.323 1.278 10 5 CDBEHN NCc1ccc([N+](=O)[O-])c(OCCn2cccn2)c1 ZINC000050516280 527257328 /nfs/dbraw/zinc/25/73/28/527257328.db2.gz DWHBTLSQYUQTLF-UHFFFAOYSA-N 0 3 262.269 1.329 10 5 CDBEHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(C)c1OC ZINC000813106213 1163813697 /nfs/dbraw/zinc/81/36/97/1163813697.db2.gz ARBBIEBAGVYLMY-QMMMGPOBSA-N 0 3 283.280 1.834 10 5 CDBEHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1C ZINC000813106606 1163813786 /nfs/dbraw/zinc/81/37/86/1163813786.db2.gz FDNGBUSBDHVZED-SECBINFHSA-N 0 3 253.254 1.826 10 5 CDBEHN C[C@H]1C[C@H](Nc2nn(C)cc2[N+](=O)[O-])CN1C1CC1 ZINC001651638467 1171338920 /nfs/dbraw/zinc/33/89/20/1171338920.db2.gz GHAVVQAYKOOEKR-IUCAKERBSA-N 0 3 265.317 1.365 10 5 CDBEHN COCCOc1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813110491 1163815342 /nfs/dbraw/zinc/81/53/42/1163815342.db2.gz BSORYFDMYKGOLW-LLVKDONJSA-N 0 3 297.307 1.463 10 5 CDBEHN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001649395383 1169247249 /nfs/dbraw/zinc/24/72/49/1169247249.db2.gz OXOPNHAYCRSQMZ-NSHDSACASA-N 0 3 292.339 1.512 10 5 CDBEHN Cn1ncc([N+](=O)[O-])c1N1CCN[C@@H](c2ccccc2)C1 ZINC001164190755 939428085 /nfs/dbraw/zinc/42/80/85/939428085.db2.gz LOKDRQTUVVICGI-GFCCVEGCSA-N 0 3 287.323 1.479 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000590046591 342520905 /nfs/dbraw/zinc/52/09/05/342520905.db2.gz IHERLVMHIOPZGU-BXUZGUMPSA-N 0 3 289.335 1.679 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000592245405 342681033 /nfs/dbraw/zinc/68/10/33/342681033.db2.gz HNADNWSEFROUJX-CYBMUJFWSA-N 0 3 292.339 1.368 10 5 CDBEHN COc1ccc(CN(C)CC2CN(C)C2)cc1[N+](=O)[O-] ZINC000597203102 343472596 /nfs/dbraw/zinc/47/25/96/343472596.db2.gz MXQGDFFLSSZYGB-UHFFFAOYSA-N 0 3 279.340 1.597 10 5 CDBEHN O=[N+]([O-])c1cccc(CNC[C@@H](O)[C@H]2CCCO2)c1 ZINC000598989010 343935424 /nfs/dbraw/zinc/93/54/24/343935424.db2.gz XPESXSPTATWJLL-CHWSQXEVSA-N 0 3 266.297 1.224 10 5 CDBEHN C[C@H](NC[C@H](O)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000599067303 343948055 /nfs/dbraw/zinc/94/80/55/343948055.db2.gz ZCUNCMIRXPHLGP-LEWSCRJBSA-N 0 3 280.324 1.785 10 5 CDBEHN Cc1ccc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000159566086 362342034 /nfs/dbraw/zinc/34/20/34/362342034.db2.gz ZRBOZOZPGMOQOP-AAEUAGOBSA-N 0 3 291.351 1.989 10 5 CDBEHN COC[C@](C)(CO)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000611479882 346797921 /nfs/dbraw/zinc/79/79/21/346797921.db2.gz KVXFYQZRIVDGGL-VSKVDJIOSA-N 0 3 280.324 1.595 10 5 CDBEHN O=[N+]([O-])c1ccc([S@@](=O)C[C@@H]2CCCCN2)nc1 ZINC000095091951 365937012 /nfs/dbraw/zinc/93/70/12/365937012.db2.gz RQFHXVLYFBOWJQ-NIVTXAMTSA-N 0 3 269.326 1.240 10 5 CDBEHN COC[C@@H](CNCc1ccc([N+](=O)[O-])cc1C)OC ZINC000273419513 192144235 /nfs/dbraw/zinc/14/42/35/192144235.db2.gz QHOJYSWAQXZYPU-CYBMUJFWSA-N 0 3 268.313 1.654 10 5 CDBEHN CCN1CCO[C@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000252954333 350479175 /nfs/dbraw/zinc/47/91/75/350479175.db2.gz HPVTUHJHYSWWKH-IUODEOHRSA-N 0 3 293.367 1.966 10 5 CDBEHN COC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000273497745 192175106 /nfs/dbraw/zinc/17/51/06/192175106.db2.gz YDAJEVCHOXFVAE-GFCCVEGCSA-N 0 3 278.308 1.898 10 5 CDBEHN C[C@@H]1CC(O)C[C@@H](C)N1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000191259699 358122818 /nfs/dbraw/zinc/12/28/18/358122818.db2.gz KVYKDKLAJMHUPU-HFAKWTLXSA-N 0 3 294.351 1.862 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CN1CCN2CCC[C@H]2C1 ZINC000247379751 358123934 /nfs/dbraw/zinc/12/39/34/358123934.db2.gz VSSLIVWTBLSXHN-AWEZNQCLSA-N 0 3 291.351 1.883 10 5 CDBEHN COc1cc(CN[C@@H](C)[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000450735896 358994221 /nfs/dbraw/zinc/99/42/21/358994221.db2.gz CQIMVDRMCJVMRR-UWVGGRQHSA-N 0 3 268.313 1.710 10 5 CDBEHN Cc1nc(N(C)[C@@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000348343849 367139805 /nfs/dbraw/zinc/13/98/05/367139805.db2.gz AVFLGPZSOWTAIC-GFCCVEGCSA-N 0 3 276.340 1.971 10 5 CDBEHN CO[C@H](C)[C@H](C)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000191719017 373529186 /nfs/dbraw/zinc/52/91/86/373529186.db2.gz LHJDXZGHUOBAFH-HBNTYKKESA-N 0 3 295.339 1.935 10 5 CDBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@](C)(O)CO ZINC000619464236 374043602 /nfs/dbraw/zinc/04/36/02/374043602.db2.gz CTQPUPSDYKJSNT-JBNJFFQFSA-N 0 3 280.324 1.331 10 5 CDBEHN CN(C)C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000105926921 374430169 /nfs/dbraw/zinc/43/01/69/374430169.db2.gz BGXIJUIMZIYECR-ZDUSSCGKSA-N 0 3 279.340 1.357 10 5 CDBEHN C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000275142898 374689342 /nfs/dbraw/zinc/68/93/42/374689342.db2.gz FAQRFCNOPRSRQT-RNCFNFMXSA-N 0 3 276.296 1.702 10 5 CDBEHN O=[N+]([O-])c1ccc2nc([S@](=O)C[C@H]3CC[NH2+]C3)[n-]c2c1 ZINC000095092131 374869468 /nfs/dbraw/zinc/86/94/68/374869468.db2.gz WOSGLLMSTFRBSM-FHZGZLOMSA-N 0 3 294.336 1.188 10 5 CDBEHN O=[N+]([O-])c1ccc2[n-]c([S@](=O)C[C@H]3CC[NH2+]C3)nc2c1 ZINC000095092131 374869473 /nfs/dbraw/zinc/86/94/73/374869473.db2.gz WOSGLLMSTFRBSM-FHZGZLOMSA-N 0 3 294.336 1.188 10 5 CDBEHN CN(C)C[C@@H]1CCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000330501545 374858432 /nfs/dbraw/zinc/85/84/32/374858432.db2.gz UUQQLXBISORAKK-ZDUSSCGKSA-N 0 3 291.351 1.690 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H](CO)[C@@H]1CCOC1 ZINC000280363842 374994911 /nfs/dbraw/zinc/99/49/11/374994911.db2.gz UEZODRCWUFXTOI-KGLIPLIRSA-N 0 3 294.351 1.638 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H](CO)[C@H]1CCOC1 ZINC000280363846 374994943 /nfs/dbraw/zinc/99/49/43/374994943.db2.gz UEZODRCWUFXTOI-UONOGXRCSA-N 0 3 294.351 1.638 10 5 CDBEHN Cc1ccc(CN[C@H]2CCC(=O)N[C@H]2C)cc1[N+](=O)[O-] ZINC000282306701 375076626 /nfs/dbraw/zinc/07/66/26/375076626.db2.gz KDFMPYCUMKLHAS-JQWIXIFHSA-N 0 3 277.324 1.660 10 5 CDBEHN COC(=O)[C@H](C)CN(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351970451 375052989 /nfs/dbraw/zinc/05/29/89/375052989.db2.gz CARDQPYAHLXGHM-SNVBAGLBSA-N 0 3 296.323 1.844 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCN(C)C1CC1 ZINC000299678266 375193607 /nfs/dbraw/zinc/19/36/07/375193607.db2.gz VIVQAAQCLRUNQU-UHFFFAOYSA-N 0 3 277.324 1.727 10 5 CDBEHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1C ZINC000266032479 190225095 /nfs/dbraw/zinc/22/50/95/190225095.db2.gz AGLNFGHVPRZKQC-ZJUUUORDSA-N 0 3 280.328 1.478 10 5 CDBEHN CC(C)N1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000069848928 378916630 /nfs/dbraw/zinc/91/66/30/378916630.db2.gz RHQXEAFLBZAHHL-CYBMUJFWSA-N 0 3 291.351 1.736 10 5 CDBEHN CCN(C)CCNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000288456175 197083164 /nfs/dbraw/zinc/08/31/64/197083164.db2.gz OAMVAOISRKOSMK-UHFFFAOYSA-N 0 3 296.327 1.448 10 5 CDBEHN CC[C@@H](NCCC(=O)NC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000411470842 390966809 /nfs/dbraw/zinc/96/68/09/390966809.db2.gz CTMUCGMIXPNUFL-LLVKDONJSA-N 0 3 294.311 1.221 10 5 CDBEHN CO[C@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000191709860 391617032 /nfs/dbraw/zinc/61/70/32/391617032.db2.gz ADHPAKPXAQGJJA-GARJFASQSA-N 0 3 295.339 1.935 10 5 CDBEHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1CCO ZINC000418112296 392875568 /nfs/dbraw/zinc/87/55/68/392875568.db2.gz LJWFXUGXOAFCOQ-CHWSQXEVSA-N 0 3 293.367 1.482 10 5 CDBEHN CC[C@@H](N)C(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000050439882 522639721 /nfs/dbraw/zinc/63/97/21/522639721.db2.gz AZDDEFHRHLZMLY-SECBINFHSA-N 0 3 251.286 1.887 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CCC(c3c[nH]cn3)CC2)n1 ZINC000374200336 160263744 /nfs/dbraw/zinc/26/37/44/160263744.db2.gz OYLTZDWYFIYVMD-UHFFFAOYSA-N 0 3 290.327 1.394 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)C ZINC000037386082 173169287 /nfs/dbraw/zinc/16/92/87/173169287.db2.gz ZEKLQFUHUMKQFP-UHFFFAOYSA-N 0 3 251.286 1.840 10 5 CDBEHN O=C(CNC1CC1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000037386731 173169716 /nfs/dbraw/zinc/16/97/16/173169716.db2.gz RUQGPEAYAYRYSO-UHFFFAOYSA-N 0 3 269.688 1.939 10 5 CDBEHN COC(=O)CCCNCc1cccc([N+](=O)[O-])c1 ZINC000037395172 173175352 /nfs/dbraw/zinc/17/53/52/173175352.db2.gz APDLTFVDDSXOLM-UHFFFAOYSA-N 0 3 252.270 1.638 10 5 CDBEHN Cc1nn(C)c(NC[C@@H](C)N2CCCCC2)c1[N+](=O)[O-] ZINC000038029284 174019839 /nfs/dbraw/zinc/01/98/39/174019839.db2.gz WJSIQAHXMMAPMF-SNVBAGLBSA-N 0 3 281.360 1.923 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCOC1 ZINC000038094196 174107375 /nfs/dbraw/zinc/10/73/75/174107375.db2.gz MCZBZDIYVSVGGH-SNVBAGLBSA-N 0 3 266.297 1.730 10 5 CDBEHN CC(C)(C)[C@H](N)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000040463399 174272674 /nfs/dbraw/zinc/27/26/74/174272674.db2.gz LBFDRBHHUZKZGZ-SNVBAGLBSA-N 0 3 251.286 1.907 10 5 CDBEHN CCNc1ncnc(N(C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000040596582 174348969 /nfs/dbraw/zinc/34/89/69/174348969.db2.gz HTDBMLKHBQINMI-UHFFFAOYSA-N 0 3 294.359 1.347 10 5 CDBEHN Cn1ccnc1CCNCc1cc([N+](=O)[O-])c(F)cc1F ZINC000040639388 174363740 /nfs/dbraw/zinc/36/37/40/174363740.db2.gz OVVBSINNUQDDRS-UHFFFAOYSA-N 0 3 296.277 1.939 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@H]2CCN(C3CC3)C2)o1 ZINC000044686258 175232408 /nfs/dbraw/zinc/23/24/08/175232408.db2.gz JYERIRFPSUVPIZ-VIFPVBQESA-N 0 3 251.286 1.514 10 5 CDBEHN Cc1c(CNCCc2nccn2C)cccc1[N+](=O)[O-] ZINC000045134427 175312514 /nfs/dbraw/zinc/31/25/14/175312514.db2.gz PXNQGRHGPCDDRY-UHFFFAOYSA-N 0 3 274.324 1.969 10 5 CDBEHN CN(C[C@H]1CCN(C)C1)C(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000071189347 176064683 /nfs/dbraw/zinc/06/46/83/176064683.db2.gz LRQPTVAMRWMPIH-JTQLQIEISA-N 0 3 295.314 1.758 10 5 CDBEHN COc1cc(C[NH2+][C@H]2CC[C@@H](OC)C2)c([N+](=O)[O-])cc1[O-] ZINC000190954849 270286399 /nfs/dbraw/zinc/28/63/99/270286399.db2.gz NSIDKQNDSBBILC-WDEREUQCSA-N 0 3 296.323 1.966 10 5 CDBEHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000282303258 279533308 /nfs/dbraw/zinc/53/33/08/279533308.db2.gz JWMNYWXHMKQZCA-CWSCBRNRSA-N 0 3 277.324 1.913 10 5 CDBEHN CN[C@@](C)(C[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000068628207 522417671 /nfs/dbraw/zinc/41/76/71/522417671.db2.gz CJFKIQBFZJUBRC-RNCFNFMXSA-N 0 3 297.380 1.929 10 5 CDBEHN CCCNc1ccc([N+](=O)[O-])c(C(=O)NCCN(C)C)c1 ZINC000050725915 520168930 /nfs/dbraw/zinc/16/89/30/520168930.db2.gz BGZAIVUNWVFWDU-UHFFFAOYSA-N 0 3 294.355 1.708 10 5 CDBEHN CCOC(=O)[C@H](C)CNCc1cccc([N+](=O)[O-])c1 ZINC000052926281 521189202 /nfs/dbraw/zinc/18/92/02/521189202.db2.gz AFUJYCNKWZHUKM-SNVBAGLBSA-N 0 3 266.297 1.884 10 5 CDBEHN CN(C)C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1C=O ZINC000061644952 521874390 /nfs/dbraw/zinc/87/43/90/521874390.db2.gz GXBZJJHICMVOCB-CYBMUJFWSA-N 0 3 277.324 1.938 10 5 CDBEHN CNC(C)(C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000061316142 521943298 /nfs/dbraw/zinc/94/32/98/521943298.db2.gz BRPMWTXDMYJKAA-UHFFFAOYSA-N 0 3 255.249 1.670 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(O[C@H]2CCCC[C@@H]2O)c1 ZINC000050516750 522126660 /nfs/dbraw/zinc/12/66/60/522126660.db2.gz NJKNYGJQWXHMCD-STQMWFEESA-N 0 3 280.324 1.997 10 5 CDBEHN CN[C@@](C)(C[C@@H](C)Oc1ccc([N+](=O)[O-])c(F)c1)C(N)=O ZINC000068652468 522415469 /nfs/dbraw/zinc/41/54/69/522415469.db2.gz XGRNMKRRONTLDN-OQPBUACISA-N 0 3 299.302 1.355 10 5 CDBEHN CN[C@H](CCSc1ccccc1[N+](=O)[O-])C(N)=O ZINC000062596733 522464482 /nfs/dbraw/zinc/46/44/82/522464482.db2.gz CBHMNBWNPQRJJQ-MRVPVSSYSA-N 0 3 269.326 1.150 10 5 CDBEHN CN1CCC[C@@H](CNc2ncnc(Cl)c2[N+](=O)[O-])C1 ZINC000050455795 523815462 /nfs/dbraw/zinc/81/54/62/523815462.db2.gz FCKFXWWJLGCCIB-QMMMGPOBSA-N 0 3 285.735 1.792 10 5 CDBEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000069133448 525100965 /nfs/dbraw/zinc/10/09/65/525100965.db2.gz ZSKOHXNZGARMSA-DTORHVGOSA-N 0 3 281.287 1.556 10 5 CDBEHN Cc1ccc([N-]S(=O)(=O)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000049641285 525296335 /nfs/dbraw/zinc/29/63/35/525296335.db2.gz XRJXZNDGGBMCRP-LLVKDONJSA-N 0 3 299.352 1.397 10 5 CDBEHN O=C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000065954528 526986315 /nfs/dbraw/zinc/98/63/15/526986315.db2.gz FHWAXNALCQGKSA-UHFFFAOYSA-N 0 3 293.323 1.186 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CC[C@@]3(O)CCCC[C@@H]3C2)n1 ZINC000161012677 527406592 /nfs/dbraw/zinc/40/65/92/527406592.db2.gz QHTQOSAZRNWUML-OCCSQVGLSA-N 0 3 294.355 1.418 10 5 CDBEHN CC(COC(=O)COC/C=C\c1ccccc1)[N+](=O)[O-] ZINC000813111846 617346467 /nfs/dbraw/zinc/34/64/67/617346467.db2.gz AUYXXKNBGAKKJC-JECSTDCCSA-N 0 3 279.292 1.925 10 5 CDBEHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928434621 619075632 /nfs/dbraw/zinc/07/56/32/619075632.db2.gz WSPCWKLNYBOBTO-GXSJLCMTSA-N 0 3 295.314 1.865 10 5 CDBEHN C[C@@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000928455029 619119457 /nfs/dbraw/zinc/11/94/57/619119457.db2.gz OQUDMRRDYRRILL-MFKMUULPSA-N 0 3 277.324 1.346 10 5 CDBEHN C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000903498255 626008719 /nfs/dbraw/zinc/00/87/19/626008719.db2.gz AFHPYJJGGCZJMY-GHMZBOCLSA-N 0 3 279.340 1.717 10 5 CDBEHN C[C@@H]1[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000915089851 631648254 /nfs/dbraw/zinc/64/82/54/631648254.db2.gz MOHHYBLBFIFPAJ-ZWNOBZJWSA-N 0 3 292.339 1.487 10 5 CDBEHN CC(COC(=O)[C@H]1COc2ccccc21)[N+](=O)[O-] ZINC000813107752 677802206 /nfs/dbraw/zinc/80/22/06/677802206.db2.gz VTFFXKLNHUSMLG-WPRPVWTQSA-N 0 3 251.238 1.371 10 5 CDBEHN CC(C)COc1ncccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109103 677763356 /nfs/dbraw/zinc/76/33/56/677763356.db2.gz FDCYIXRKRLNVFG-JTQLQIEISA-N 0 3 282.296 1.938 10 5 CDBEHN CCN(C)C(=O)c1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813105303 678620796 /nfs/dbraw/zinc/62/07/96/678620796.db2.gz LNSIWDHUHXPDAA-SNVBAGLBSA-N 0 3 294.307 1.601 10 5 CDBEHN CC(COC(=O)c1cnc(-c2cnn(C)c2)s1)[N+](=O)[O-] ZINC000813105381 678844863 /nfs/dbraw/zinc/84/48/63/678844863.db2.gz YIRJZKNUEATMOH-SSDOTTSWSA-N 0 3 296.308 1.366 10 5 CDBEHN CN1C[C@H](CCNCc2csc([N+](=O)[O-])c2)CC1=O ZINC000723594834 678858412 /nfs/dbraw/zinc/85/84/12/678858412.db2.gz RAWXOBGCDNFPQC-SECBINFHSA-N 0 3 283.353 1.614 10 5 CDBEHN CCN1CC[C@@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000712538204 678918901 /nfs/dbraw/zinc/91/89/01/678918901.db2.gz OROYEKKKICDDNJ-MRVPVSSYSA-N 0 3 251.290 1.078 10 5 CDBEHN C[C@@H]1CC[C@H](CO)N1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880441881 679156567 /nfs/dbraw/zinc/15/65/67/679156567.db2.gz KLVSHTQZMDHGIZ-HONMWMINSA-N 0 3 280.324 1.473 10 5 CDBEHN Cc1c(CNC[C@@H](O)CC(C)(C)O)cccc1[N+](=O)[O-] ZINC000872207579 679437599 /nfs/dbraw/zinc/43/75/99/679437599.db2.gz TXDHQIWQGZFWQY-LBPRGKRZSA-N 0 3 282.340 1.515 10 5 CDBEHN O=[N+]([O-])c1cnc(N2CC(N[C@@H]3CCOC3)C2)c(Cl)c1 ZINC001640465056 1167028374 /nfs/dbraw/zinc/02/83/74/1167028374.db2.gz NWYNMZYZXATJKO-MRVPVSSYSA-N 0 3 298.730 1.210 10 5 CDBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CCCF ZINC001481266399 899716549 /nfs/dbraw/zinc/71/65/49/899716549.db2.gz NGOGMQLRZHVLHX-UHFFFAOYSA-N 0 3 297.330 1.893 10 5 CDBEHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C(C)(C)O ZINC001473125376 970757090 /nfs/dbraw/zinc/75/70/90/970757090.db2.gz RWOSVAGVDPYKKF-CQSZACIVSA-N 0 3 296.367 1.937 10 5 CDBEHN O=[N+]([O-])c1cc(F)cnc1NCCCN1CCC(O)CC1 ZINC000601105628 342466505 /nfs/dbraw/zinc/46/65/05/342466505.db2.gz JOTRDXMBTVWRJO-UHFFFAOYSA-N 0 3 298.318 1.388 10 5 CDBEHN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]3CCN(C)C[C@H]3C2)n1 ZINC000601184368 342489198 /nfs/dbraw/zinc/48/91/98/342489198.db2.gz LDNUBLJMQZLSDP-OLZOCXBDSA-N 0 3 290.367 1.995 10 5 CDBEHN CN(CCN(C)C1CC1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588020271 342491254 /nfs/dbraw/zinc/49/12/54/342491254.db2.gz IHDXWIARWKLZPK-UHFFFAOYSA-N 0 3 294.355 1.200 10 5 CDBEHN Cc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc([N+](=O)[O-])c1 ZINC000590044713 342520770 /nfs/dbraw/zinc/52/07/70/342520770.db2.gz MGZNSCMUHYWWCN-BXUZGUMPSA-N 0 3 289.335 1.679 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CCC(=O)N1 ZINC000594988262 342994296 /nfs/dbraw/zinc/99/42/96/342994296.db2.gz OJHQBFDTQGUDJY-NSHDSACASA-N 0 3 263.297 1.271 10 5 CDBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](CN(C)C)C1 ZINC000247232435 362093451 /nfs/dbraw/zinc/09/34/51/362093451.db2.gz RIISTGRBMVWVRG-DOMZBBRYSA-N 0 3 293.367 1.918 10 5 CDBEHN CC(C)N1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596095157 343235160 /nfs/dbraw/zinc/23/51/60/343235160.db2.gz ZWHDBKFCPKDFPI-NSHDSACASA-N 0 3 292.339 1.588 10 5 CDBEHN CCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CCN(C)C1 ZINC000597945066 343675262 /nfs/dbraw/zinc/67/52/62/343675262.db2.gz HMMFJFBOCHTOLS-JTQLQIEISA-N 0 3 280.328 1.100 10 5 CDBEHN CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000597946361 343675947 /nfs/dbraw/zinc/67/59/47/343675947.db2.gz PGTYQOUNNKHGKW-AWEZNQCLSA-N 0 3 291.351 1.690 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN[C@H](C(C)C)C1 ZINC000598572781 343832989 /nfs/dbraw/zinc/83/29/89/343832989.db2.gz HNADNWSEFROUJX-ZDUSSCGKSA-N 0 3 292.339 1.368 10 5 CDBEHN CN(C)C1CN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599066320 343948023 /nfs/dbraw/zinc/94/80/23/343948023.db2.gz VCVWXLYSYDPIKE-UHFFFAOYSA-N 0 3 272.308 1.893 10 5 CDBEHN Cc1c([C@H](C)N[C@H]2C[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000599070951 343949104 /nfs/dbraw/zinc/94/91/04/343949104.db2.gz NDRUCHZOVYBRHL-DCAQKATOSA-N 0 3 277.324 1.818 10 5 CDBEHN Cc1ccc(CN2C[C@H](C(N)=O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000159565970 362342195 /nfs/dbraw/zinc/34/21/95/362342195.db2.gz ZRBOZOZPGMOQOP-WCQYABFASA-N 0 3 291.351 1.989 10 5 CDBEHN [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc([O-])cc1[N+](=O)[O-] ZINC000085359295 179032054 /nfs/dbraw/zinc/03/20/54/179032054.db2.gz FGWCTGMQNWOIJQ-NXEZZACHSA-N 0 3 279.296 1.756 10 5 CDBEHN CN(c1ccc([N+](=O)[O-])nc1)[C@H]1CCN(C2CC2)C1 ZINC000344419366 362765638 /nfs/dbraw/zinc/76/56/38/362765638.db2.gz MWHJEVYDSLJBNE-LBPRGKRZSA-N 0 3 262.313 1.663 10 5 CDBEHN C[C@@H](CO)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000167094735 362976960 /nfs/dbraw/zinc/97/69/60/362976960.db2.gz VLPIHAQHLWIQKT-DTWKUNHWSA-N 0 3 283.284 1.610 10 5 CDBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000155823740 188229385 /nfs/dbraw/zinc/22/93/85/188229385.db2.gz KIYHMXWVJWABMC-ZJUUUORDSA-N 0 3 281.312 1.646 10 5 CDBEHN O=[N+]([O-])c1cc(CN[C@H](CO)C2CCOCC2)cs1 ZINC000359870693 356429395 /nfs/dbraw/zinc/42/93/95/356429395.db2.gz HIKUAQSMXJOALL-LLVKDONJSA-N 0 3 286.353 1.533 10 5 CDBEHN O=[N+]([O-])c1cccc(CN[C@@H]2CCC[C@H](O)C2)c1 ZINC000037163587 363530937 /nfs/dbraw/zinc/53/09/37/363530937.db2.gz PMCZAPYCGNIXCP-YPMHNXCESA-N 0 3 250.298 1.988 10 5 CDBEHN O=[N+]([O-])c1cc(CNCC2(CCO)CC2)cs1 ZINC000157340287 237100648 /nfs/dbraw/zinc/10/06/48/237100648.db2.gz JEWOWLPWZOGIGB-UHFFFAOYSA-N 0 3 256.327 1.909 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN(C)CCC(N)=O ZINC000289713113 360390399 /nfs/dbraw/zinc/39/03/99/360390399.db2.gz OZRFCUSJUVGPPY-UHFFFAOYSA-N 0 3 251.286 1.210 10 5 CDBEHN COc1ccc(CNCCc2cn[nH]c2)cc1[N+](=O)[O-] ZINC000289748595 360870874 /nfs/dbraw/zinc/87/08/74/360870874.db2.gz HHOGISOEUDZVIL-UHFFFAOYSA-N 0 3 276.296 1.659 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](O)C1 ZINC000183227840 189350992 /nfs/dbraw/zinc/35/09/92/189350992.db2.gz FXGNXQOUHBXZNP-ZDUSSCGKSA-N 0 3 250.298 1.860 10 5 CDBEHN C[C@@H]1CC[C@@H](C)N(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174882343 364588151 /nfs/dbraw/zinc/58/81/51/364588151.db2.gz ZXHUAWLAMYCKAF-GHMZBOCLSA-N 0 3 252.318 1.912 10 5 CDBEHN C[C@H]1C[C@H](Nc2ccncc2[N+](=O)[O-])CCN1C ZINC000090794999 368132638 /nfs/dbraw/zinc/13/26/38/368132638.db2.gz QVUNENJEOUXDRW-VHSXEESVSA-N 0 3 250.302 1.884 10 5 CDBEHN CCN(CC)CCSc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000081018760 374488773 /nfs/dbraw/zinc/48/87/73/374488773.db2.gz VVOCZLDRZHJPOR-UHFFFAOYSA-N 0 3 298.368 1.523 10 5 CDBEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000246898828 390189318 /nfs/dbraw/zinc/18/93/18/390189318.db2.gz HHWJOKZRLIJOBR-MNOVXSKESA-N 0 3 293.323 1.887 10 5 CDBEHN CN(CCCCO)CCOc1ccccc1[N+](=O)[O-] ZINC000349923562 154273807 /nfs/dbraw/zinc/27/38/07/154273807.db2.gz XHUPKVJDXITPGB-UHFFFAOYSA-N 0 3 268.313 1.678 10 5 CDBEHN C[C@@H](NC[C@@H]1COCCO1)c1ccccc1[N+](=O)[O-] ZINC000038060111 174070310 /nfs/dbraw/zinc/07/03/10/174070310.db2.gz OUKHBKHPSLAGGG-GHMZBOCLSA-N 0 3 266.297 1.661 10 5 CDBEHN CCN1CCC[C@@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000040503122 174300095 /nfs/dbraw/zinc/30/00/95/174300095.db2.gz GHZUUUXRNMKXEM-SECBINFHSA-N 0 3 251.290 1.281 10 5 CDBEHN CCCCOC(=O)COc1ccc([N+](=O)[O-])cc1CN ZINC000043447303 175048692 /nfs/dbraw/zinc/04/86/92/175048692.db2.gz NJIZWYHCLOYDKX-UHFFFAOYSA-N 0 3 282.296 1.776 10 5 CDBEHN Cn1cnc(CCNCc2cccc([N+](=O)[O-])c2)c1 ZINC000313309690 260282395 /nfs/dbraw/zinc/28/23/95/260282395.db2.gz WAGRKRHXJYNACK-UHFFFAOYSA-N 0 3 260.297 1.661 10 5 CDBEHN COc1cccc(N2CCCN(CCO)CC2)c1[N+](=O)[O-] ZINC000135063340 278015709 /nfs/dbraw/zinc/01/57/09/278015709.db2.gz HKFTUELEQDBNGT-UHFFFAOYSA-N 0 3 295.339 1.108 10 5 CDBEHN CNC(C)(C)C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000061316256 521940378 /nfs/dbraw/zinc/94/03/78/521940378.db2.gz KIHVRLSVLKKYBF-UHFFFAOYSA-N 0 3 273.239 1.810 10 5 CDBEHN CC(C)CNC(=O)[C@H](C)Oc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516460 519740728 /nfs/dbraw/zinc/74/07/28/519740728.db2.gz RONRXEZKJMFIKS-JTQLQIEISA-N 0 3 295.339 1.593 10 5 CDBEHN CCNc1ccc(CN(CC)CCO)cc1[N+](=O)[O-] ZINC000050814549 520298247 /nfs/dbraw/zinc/29/82/47/520298247.db2.gz VBCSXRNLQVSENH-UHFFFAOYSA-N 0 3 267.329 1.841 10 5 CDBEHN CCN1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000157333668 521648288 /nfs/dbraw/zinc/64/82/88/521648288.db2.gz IMBRDHVKZUJXSO-JTQLQIEISA-N 0 3 292.339 1.391 10 5 CDBEHN COCC[C@H](N)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000052792107 521946408 /nfs/dbraw/zinc/94/64/08/521946408.db2.gz DJUGQVPLMYWKRM-QMMMGPOBSA-N 0 3 287.703 1.551 10 5 CDBEHN CNCc1ccc(OC2CCOCC2)c([N+](=O)[O-])c1 ZINC000069288619 522122028 /nfs/dbraw/zinc/12/20/28/522122028.db2.gz MTHDDYQSTLPPIR-UHFFFAOYSA-N 0 3 266.297 1.872 10 5 CDBEHN CN[C@@](COc1cccc([N+](=O)[O-])c1C)(C(N)=O)C1CC1 ZINC000069194314 522429755 /nfs/dbraw/zinc/42/97/55/522429755.db2.gz MTVMMNBEGKHXTN-CQSZACIVSA-N 0 3 293.323 1.136 10 5 CDBEHN COC[C@H](O)COc1ccc([N+](=O)[O-])cc1CNC1CC1 ZINC000069053618 522809202 /nfs/dbraw/zinc/80/92/02/522809202.db2.gz GXJZAVONTWUEQZ-ZDUSSCGKSA-N 0 3 296.323 1.233 10 5 CDBEHN CN(C(=O)COc1cc(CN)ccc1[N+](=O)[O-])C1CC1 ZINC000050516290 523831495 /nfs/dbraw/zinc/83/14/95/523831495.db2.gz RNAOXWDYPPHNRR-UHFFFAOYSA-N 0 3 279.296 1.053 10 5 CDBEHN C[C@@H](CN1CCCC1)Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050455420 524594725 /nfs/dbraw/zinc/59/47/25/524594725.db2.gz JGROQSLHGYCMTO-QMMMGPOBSA-N 0 3 285.735 1.934 10 5 CDBEHN C[C@H](C[C@](C)(N)C(N)=O)Oc1ccc([N+](=O)[O-])c(F)c1 ZINC000068652459 524654142 /nfs/dbraw/zinc/65/41/42/524654142.db2.gz SKNAMPQFZJQFGD-KRTXAFLBSA-N 0 3 285.275 1.094 10 5 CDBEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000069133248 525097785 /nfs/dbraw/zinc/09/77/85/525097785.db2.gz GOULKQDRJIZNAF-HTQZYQBOSA-N 0 3 299.277 1.695 10 5 CDBEHN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCCN(C)C1 ZINC000052812564 525577767 /nfs/dbraw/zinc/57/77/67/525577767.db2.gz YIYVGAXNICMNFD-SNVBAGLBSA-N 0 3 250.302 1.804 10 5 CDBEHN Cc1ccc(C(=O)N2[C@H](C)CNC[C@@H]2C)cc1[N+](=O)[O-] ZINC000069133367 526141942 /nfs/dbraw/zinc/14/19/42/526141942.db2.gz CLBBHOJPUPQLDV-PHIMTYICSA-N 0 3 277.324 1.726 10 5 CDBEHN COc1cc(F)c([N+](=O)[O-])c(NC[C@]2(O)CCN(C)C2)c1 ZINC000762816710 576676311 /nfs/dbraw/zinc/67/63/11/576676311.db2.gz UEFSZUBNPPQXJA-CYBMUJFWSA-N 0 3 299.302 1.221 10 5 CDBEHN CC(=O)c1csc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813108500 617345235 /nfs/dbraw/zinc/34/52/35/617345235.db2.gz ZBRKUPGWEDGCHQ-ZCFIWIBFSA-N 0 3 257.267 1.773 10 5 CDBEHN CC(=O)c1cccc(OCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112525 617347015 /nfs/dbraw/zinc/34/70/15/617347015.db2.gz HSLWODPOVTUBEI-VIFPVBQESA-N 0 3 281.264 1.476 10 5 CDBEHN CC(COC(=O)c1coc(C2CCC2)n1)[N+](=O)[O-] ZINC000813113343 617347284 /nfs/dbraw/zinc/34/72/84/617347284.db2.gz YYQIQNRVEIHSHF-ZETCQYMHSA-N 0 3 254.242 1.764 10 5 CDBEHN CC(COC(=O)Cc1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000813115122 617349239 /nfs/dbraw/zinc/34/92/39/617349239.db2.gz KVRMPJAYZOFYFI-QMMMGPOBSA-N 0 3 268.225 1.346 10 5 CDBEHN Cc1c(CC(=O)N[C@@H]2CCN(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000928432694 619044374 /nfs/dbraw/zinc/04/43/74/619044374.db2.gz GFDOBYIAGTWWEY-WCQYABFASA-N 0 3 291.351 1.655 10 5 CDBEHN Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928453786 619119172 /nfs/dbraw/zinc/11/91/72/619119172.db2.gz LHOPXZGAPDWVOA-CMPLNLGQSA-N 0 3 277.324 1.726 10 5 CDBEHN CCCc1ncc(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813110963 682834515 /nfs/dbraw/zinc/83/45/15/682834515.db2.gz MZXBPICUBUNCCP-ZETCQYMHSA-N 0 3 258.299 1.918 10 5 CDBEHN CC(COC(=O)[C@@H]1OCCc2ccccc21)[N+](=O)[O-] ZINC000813108568 683869123 /nfs/dbraw/zinc/86/91/23/683869123.db2.gz ZWKUZPWGXIXYNV-BXKDBHETSA-N 0 3 265.265 1.509 10 5 CDBEHN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCN(C)[C@H]1C ZINC000719626190 679730880 /nfs/dbraw/zinc/73/08/80/679730880.db2.gz RJAJRSDVYIATMF-ONGXEEELSA-N 0 3 250.302 1.803 10 5 CDBEHN CC(COC(=O)C1=Cc2ccccc2OC1)[N+](=O)[O-] ZINC000813110129 684243897 /nfs/dbraw/zinc/24/38/97/684243897.db2.gz ZUJGCGQURQJPMU-SECBINFHSA-N 0 3 263.249 1.671 10 5 CDBEHN CC(COC(=O)[C@H]1CC(C)(C)OC1(C)C)[N+](=O)[O-] ZINC000860775983 681190513 /nfs/dbraw/zinc/19/05/13/681190513.db2.gz AJQJFXBKYKDYGL-RKDXNWHRSA-N 0 3 259.302 1.789 10 5 CDBEHN COc1ccccc1C1(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813103169 681832119 /nfs/dbraw/zinc/83/21/19/681832119.db2.gz YPGBOTGPFINUPG-SNVBAGLBSA-N 0 3 279.292 1.935 10 5 CDBEHN CC(COC(=O)[C@H]1Cc2ccc(F)cc21)[N+](=O)[O-] ZINC000813105436 682110592 /nfs/dbraw/zinc/11/05/92/682110592.db2.gz ZKONPRSYWVOJMG-CPCISQLKSA-N 0 3 253.229 1.674 10 5 CDBEHN CC(COC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)[N+](=O)[O-] ZINC000813106210 682389659 /nfs/dbraw/zinc/38/96/59/682389659.db2.gz AQZVVRYMOGDDMQ-GKDVJIACSA-N 0 3 269.297 1.590 10 5 CDBEHN CC(COC(=O)c1scnc1Cl)[N+](=O)[O-] ZINC000813112349 683354716 /nfs/dbraw/zinc/35/47/16/683354716.db2.gz FUBUVOGRXRRYFG-SCSAIBSYSA-N 0 3 250.663 1.619 10 5 CDBEHN CC(COC(=O)c1cn(C)nc1C(F)(F)F)[N+](=O)[O-] ZINC000813103716 683852991 /nfs/dbraw/zinc/85/29/91/683852991.db2.gz GFTWYJDDHGKUNB-RXMQYKEDSA-N 0 3 281.190 1.261 10 5 CDBEHN CC(COC(=O)c1ccnc(N2CCCCC2)n1)[N+](=O)[O-] ZINC000813102988 684093016 /nfs/dbraw/zinc/09/30/16/684093016.db2.gz XEXXURRQUYIJHY-JTQLQIEISA-N 0 3 294.311 1.289 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000816949270 1164172568 /nfs/dbraw/zinc/17/25/68/1164172568.db2.gz RPQZMNKNEDAEMF-RNCFNFMXSA-N 0 3 293.298 1.510 10 5 CDBEHN CC(C)(C)N1CC[C@](F)(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)C1 ZINC001177810169 914954564 /nfs/dbraw/zinc/95/45/64/914954564.db2.gz ITTVNUDIRODXFJ-GFCCVEGCSA-N 0 3 299.306 1.469 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCOCCCO ZINC001321904786 960010746 /nfs/dbraw/zinc/01/07/46/960010746.db2.gz MOKMQTRKCWMVRA-LBPRGKRZSA-N 0 3 282.340 1.953 10 5 CDBEHN O=[N+]([O-])c1cccc(F)c1N1CC(N[C@@H]2CCOC2)C1 ZINC001651457145 1171325980 /nfs/dbraw/zinc/32/59/80/1171325980.db2.gz KYIMPARYWLHAFP-SECBINFHSA-N 0 3 281.287 1.301 10 5 CDBEHN COc1cc(CN[C@@H]2C[C@H](C)O[C@H]2C)c([N+](=O)[O-])cc1O ZINC000601149948 342482396 /nfs/dbraw/zinc/48/23/96/342482396.db2.gz UHXASANSMKQDDJ-ATZCPNFKSA-N 0 3 296.323 1.965 10 5 CDBEHN CCN1CCC[C@@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000127044782 342007821 /nfs/dbraw/zinc/00/78/21/342007821.db2.gz ZGBMTJBRRPJHMP-SNVBAGLBSA-N 0 3 250.302 1.886 10 5 CDBEHN CN1CCC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000609257937 342098824 /nfs/dbraw/zinc/09/88/24/342098824.db2.gz WUZQUPVTDPRBJT-NSHDSACASA-N 0 3 292.339 1.217 10 5 CDBEHN CN1CCC[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000609257936 342098847 /nfs/dbraw/zinc/09/88/47/342098847.db2.gz WUZQUPVTDPRBJT-LLVKDONJSA-N 0 3 292.339 1.217 10 5 CDBEHN Cn1cnc(CCCNCc2ccc([N+](=O)[O-])cc2F)n1 ZINC000592373581 342686541 /nfs/dbraw/zinc/68/65/41/342686541.db2.gz YEJRXUUNNBVPCZ-UHFFFAOYSA-N 0 3 293.302 1.585 10 5 CDBEHN Cn1cnc(CCCNCc2ccccc2[N+](=O)[O-])n1 ZINC000592373470 342686653 /nfs/dbraw/zinc/68/66/53/342686653.db2.gz SBLCANHUJTXIDG-UHFFFAOYSA-N 0 3 275.312 1.446 10 5 CDBEHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@]2(CC2(F)F)C1 ZINC000593117253 342770440 /nfs/dbraw/zinc/77/04/40/342770440.db2.gz LJIHFPMEPHFRAP-LBPRGKRZSA-N 0 3 299.277 1.488 10 5 CDBEHN COCC1(C[NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])CC1 ZINC000594513583 342913002 /nfs/dbraw/zinc/91/30/02/342913002.db2.gz DPWNQOPAUWACFE-UHFFFAOYSA-N 0 3 296.323 1.825 10 5 CDBEHN O=[N+]([O-])c1cccc(CN[C@@H]2C[C@@H](O)C23CCC3)c1 ZINC000594985818 342993866 /nfs/dbraw/zinc/99/38/66/342993866.db2.gz AHAMXNYMLVRJOW-CHWSQXEVSA-N 0 3 262.309 1.988 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@@H](C)CO ZINC000228591956 365771176 /nfs/dbraw/zinc/77/11/76/365771176.db2.gz UULBWZOLZWPJHS-UWVGGRQHSA-N 0 3 268.313 1.710 10 5 CDBEHN CC(C)(C)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000597925865 343663610 /nfs/dbraw/zinc/66/36/10/343663610.db2.gz XLBDITQQVWPBGJ-SNVBAGLBSA-N 0 3 292.339 1.592 10 5 CDBEHN CC[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000598530993 343826325 /nfs/dbraw/zinc/82/63/25/343826325.db2.gz CSZSMXFMIHJWQG-JOYOIKCWSA-N 0 3 295.314 1.946 10 5 CDBEHN Nc1ccc(NC[C@H]2CCN2C2CCCC2)nc1[N+](=O)[O-] ZINC000599165699 343972844 /nfs/dbraw/zinc/97/28/44/343972844.db2.gz QQWBZTZKHNZANU-LLVKDONJSA-N 0 3 291.355 1.423 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1COC1 ZINC000599083912 343958057 /nfs/dbraw/zinc/95/80/57/343958057.db2.gz YKCRSWMSHMBZKA-VIFPVBQESA-N 0 3 266.297 1.900 10 5 CDBEHN COC[C@@H]1CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000293458118 362562197 /nfs/dbraw/zinc/56/21/97/362562197.db2.gz DAXUTTYOVQTDIH-NSHDSACASA-N 0 3 293.323 1.644 10 5 CDBEHN CN(C)CCN(C)c1ccc([N+](=O)[O-])cc1C=O ZINC000111138820 349221075 /nfs/dbraw/zinc/22/10/75/349221075.db2.gz HRHQIZJYLKNICT-UHFFFAOYSA-N 0 3 251.286 1.405 10 5 CDBEHN CCN1CCO[C@H](CNCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000134436631 356307207 /nfs/dbraw/zinc/30/72/07/356307207.db2.gz RVZCWMFEWYWJKS-CQSZACIVSA-N 0 3 293.367 1.714 10 5 CDBEHN CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CCN(C2CC2)C1 ZINC000347930846 359952300 /nfs/dbraw/zinc/95/23/00/359952300.db2.gz WKMLWZJTRZGYEE-JTQLQIEISA-N 0 3 278.312 1.232 10 5 CDBEHN C[C@H](N[C@@H](C)[C@H](C)CO)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000274051190 239051970 /nfs/dbraw/zinc/05/19/70/239051970.db2.gz PKHJYQGBSJDWPW-VWYCJHECSA-N 0 3 295.339 1.528 10 5 CDBEHN COC(=O)[C@@H](C)CN(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351970450 375052590 /nfs/dbraw/zinc/05/25/90/375052590.db2.gz CARDQPYAHLXGHM-JTQLQIEISA-N 0 3 296.323 1.844 10 5 CDBEHN CN(c1ncccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000354078962 375672951 /nfs/dbraw/zinc/67/29/51/375672951.db2.gz ARYQGFVOXXVOIE-NSHDSACASA-N 0 3 262.313 1.663 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000264848564 190138999 /nfs/dbraw/zinc/13/89/99/190138999.db2.gz BPVMKXPEYFQQFB-MRZGDXHCSA-N 0 3 289.335 1.818 10 5 CDBEHN O=[N+]([O-])c1ccc(N[C@H]2CCCN(CCCO)C2)cn1 ZINC000450614197 251367207 /nfs/dbraw/zinc/36/72/07/251367207.db2.gz MOWNEXFGPUCCOU-LBPRGKRZSA-N 0 3 280.328 1.249 10 5 CDBEHN C[C@@H]1COCC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000280640951 194912721 /nfs/dbraw/zinc/91/27/21/194912721.db2.gz RGXUXKNRCHBRNY-KOLCDFICSA-N 0 3 290.323 1.986 10 5 CDBEHN O=[N+]([O-])c1ccc2nc([S@@](=O)C3CC[NH2+]CC3)[n-]c2c1 ZINC000095092114 285141452 /nfs/dbraw/zinc/14/14/52/285141452.db2.gz GXPAHJZPOREVLL-HXUWFJFHSA-N 0 3 294.336 1.331 10 5 CDBEHN O=[N+]([O-])c1ccc2[n-]c([S@@](=O)C3CC[NH2+]CC3)nc2c1 ZINC000095092114 285141453 /nfs/dbraw/zinc/14/14/53/285141453.db2.gz GXPAHJZPOREVLL-HXUWFJFHSA-N 0 3 294.336 1.331 10 5 CDBEHN C[C@@H]1C[C@@H](C)N1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000548754093 392508664 /nfs/dbraw/zinc/50/86/64/392508664.db2.gz AXIHHHSGIBJSPY-NQBHXWOUSA-N 0 3 280.324 1.817 10 5 CDBEHN COc1cc(C[NH2+]C[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1[O-] ZINC000449736697 393139653 /nfs/dbraw/zinc/13/96/53/393139653.db2.gz NUHOVSMKXRMAAO-JOYOIKCWSA-N 0 3 296.323 1.560 10 5 CDBEHN CCN1CCC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000040503119 174299557 /nfs/dbraw/zinc/29/95/57/174299557.db2.gz BYUIZWGUEUAHOD-JTQLQIEISA-N 0 3 250.302 1.886 10 5 CDBEHN N[C@@H](c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000043299927 175000383 /nfs/dbraw/zinc/00/03/83/175000383.db2.gz RTTDVSHBSZKPOP-GZMMTYOYSA-N 0 3 270.310 1.029 10 5 CDBEHN N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043299771 175000516 /nfs/dbraw/zinc/00/05/16/175000516.db2.gz HWNUAVRVWIVCLQ-ONGXEEELSA-N 0 3 270.310 1.029 10 5 CDBEHN CCCNCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000044651427 175224882 /nfs/dbraw/zinc/22/48/82/175224882.db2.gz MFOZXXJHQICHLA-UHFFFAOYSA-N 0 3 295.295 1.304 10 5 CDBEHN CCN[C@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1=O ZINC000071036330 176025292 /nfs/dbraw/zinc/02/52/92/176025292.db2.gz RFBMNLNDDSCASO-NSHDSACASA-N 0 3 263.297 1.618 10 5 CDBEHN CC(C)N[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000071038934 176027322 /nfs/dbraw/zinc/02/73/22/176027322.db2.gz HIPXRBIBTXBUHD-LBPRGKRZSA-N 0 3 263.297 1.698 10 5 CDBEHN CN1C[C@@H](NCc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000077900278 177308504 /nfs/dbraw/zinc/30/85/04/177308504.db2.gz WGWQAGGNZFTWML-NSHDSACASA-N 0 3 263.297 1.305 10 5 CDBEHN O=[N+]([O-])c1ccc(CNCC[C@H](O)C(F)(F)F)cc1 ZINC000349333381 280364306 /nfs/dbraw/zinc/36/43/06/280364306.db2.gz QAOHMOQEARHYMV-JTQLQIEISA-N 0 3 278.230 1.998 10 5 CDBEHN CCC[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)N(C)C ZINC000179683693 315990167 /nfs/dbraw/zinc/99/01/67/315990167.db2.gz MWUDPYPTZVLNOB-CYBMUJFWSA-N 0 3 279.340 1.941 10 5 CDBEHN CCCN[C@H](COc1c(C)cc(C)cc1[N+](=O)[O-])C(N)=O ZINC000050442059 520085049 /nfs/dbraw/zinc/08/50/49/520085049.db2.gz SPWJBXRNMPNYDR-LLVKDONJSA-N 0 3 295.339 1.444 10 5 CDBEHN CN(C)C[C@H]1CCCN1CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000061645774 521865789 /nfs/dbraw/zinc/86/57/89/521865789.db2.gz ONOPBAUSPUIJHP-SNVBAGLBSA-N 0 3 280.328 1.132 10 5 CDBEHN CN(C)C[C@H]1CCCN1c1ncnc(Cl)c1[N+](=O)[O-] ZINC000061654779 521875488 /nfs/dbraw/zinc/87/54/88/521875488.db2.gz VAGPAPTUBOKHKC-MRVPVSSYSA-N 0 3 285.735 1.569 10 5 CDBEHN CN[C@@](C)(C[C@@H](C)Oc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000068650889 522415669 /nfs/dbraw/zinc/41/56/69/522415669.db2.gz ALAMGVRSYWNGRS-RNCFNFMXSA-N 0 3 281.312 1.216 10 5 CDBEHN COCCNCc1ccc(OCCCO)c([N+](=O)[O-])c1 ZINC000062730747 523953173 /nfs/dbraw/zinc/95/31/73/523953173.db2.gz FLZWSENCWFNJAS-UHFFFAOYSA-N 0 3 284.312 1.092 10 5 CDBEHN O=[N+]([O-])c1cc(CNCCc2nnc[nH]2)cs1 ZINC000080603801 527328548 /nfs/dbraw/zinc/32/85/48/527328548.db2.gz BPKHMFYGGFSWDW-UHFFFAOYSA-N 0 3 253.287 1.107 10 5 CDBEHN COc1ccccc1OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813103517 617342703 /nfs/dbraw/zinc/34/27/03/617342703.db2.gz CPYGZTPBQMGIKW-VIFPVBQESA-N 0 3 269.253 1.282 10 5 CDBEHN CC(COC(=O)[C@@H](C)Oc1ccccc1F)[N+](=O)[O-] ZINC000813111912 617346452 /nfs/dbraw/zinc/34/64/52/617346452.db2.gz BFNHJRWEBDDKLQ-DTWKUNHWSA-N 0 3 271.244 1.801 10 5 CDBEHN CCCn1ncc(C(=O)OCC(C)[N+](=O)[O-])c1C1CC1 ZINC000813114086 617347769 /nfs/dbraw/zinc/34/77/69/617347769.db2.gz LYYCZEZRTXHKNV-SECBINFHSA-N 0 3 281.312 1.993 10 5 CDBEHN COc1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928457021 619121336 /nfs/dbraw/zinc/12/13/36/619121336.db2.gz NZPRMGNEZLCSDT-KOLCDFICSA-N 0 3 293.323 1.426 10 5 CDBEHN CC(C)Oc1ncccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106234 684373889 /nfs/dbraw/zinc/37/38/89/684373889.db2.gz BBKYYLBAXLJWRO-SECBINFHSA-N 0 3 268.269 1.691 10 5 CDBEHN COc1cc(C)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813105667 684570451 /nfs/dbraw/zinc/57/04/51/684570451.db2.gz RJTVNANFFRQHAA-VIFPVBQESA-N 0 3 253.254 1.826 10 5 CDBEHN CC(C)c1ccc(CNC[C@@H](O)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000865740296 684860919 /nfs/dbraw/zinc/86/09/19/684860919.db2.gz GCAFATISWWUKCM-QMTHXVAHSA-N 0 3 282.340 1.550 10 5 CDBEHN O=[N+]([O-])c1ccc(CNCC[C@H]2CCCS2(=O)=O)cc1 ZINC000714356110 685033133 /nfs/dbraw/zinc/03/31/33/685033133.db2.gz HXAXAESPDUBIHT-CYBMUJFWSA-N 0 3 298.364 1.652 10 5 CDBEHN CC(COC(=O)/C=C/c1ccnc(Cl)c1)[N+](=O)[O-] ZINC000813101479 685784284 /nfs/dbraw/zinc/78/42/84/685784284.db2.gz BHKWGFZPSAAYHW-SGJFDWMWSA-N 0 3 270.672 1.957 10 5 CDBEHN Cc1ccc(CN[C@H]2CC23CC(O)C3)cc1[N+](=O)[O-] ZINC000724964842 685862051 /nfs/dbraw/zinc/86/20/51/685862051.db2.gz HRGKVPIYYBPYDX-QRMWWUJWSA-N 0 3 262.309 1.906 10 5 CDBEHN COc1ccccc1C1(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813103167 686355390 /nfs/dbraw/zinc/35/53/90/686355390.db2.gz YPGBOTGPFINUPG-JTQLQIEISA-N 0 3 279.292 1.935 10 5 CDBEHN CC[C@@H](NCCn1cnnn1)c1cccc([N+](=O)[O-])c1 ZINC000878369796 686752826 /nfs/dbraw/zinc/75/28/26/686752826.db2.gz BDVHITOARUYXRW-GFCCVEGCSA-N 0 3 276.300 1.322 10 5 CDBEHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCN(C)[C@@H]1C ZINC000719628430 687406293 /nfs/dbraw/zinc/40/62/93/687406293.db2.gz ZGNBAYZETYPGMY-SCZZXKLOSA-N 0 3 267.333 1.624 10 5 CDBEHN COCc1ccsc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103337 687453491 /nfs/dbraw/zinc/45/34/91/687453491.db2.gz OLZVPYJSKHQFME-ZETCQYMHSA-N 0 3 259.283 1.717 10 5 CDBEHN COC(=O)CCCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001655318057 1171685282 /nfs/dbraw/zinc/68/52/82/1171685282.db2.gz PQVUUHKJUPGJAO-AWEZNQCLSA-N 0 3 296.323 1.345 10 5 CDBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C1CCC1 ZINC001663786789 1172763305 /nfs/dbraw/zinc/76/33/05/1172763305.db2.gz RCPJFDQMUABVDY-UHFFFAOYSA-N 0 3 291.351 1.943 10 5 CDBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CC1CC1 ZINC001713567181 1178652488 /nfs/dbraw/zinc/65/24/88/1178652488.db2.gz DSXNKWDWDRMRDT-UHFFFAOYSA-N 0 3 291.351 1.943 10 5 CDBEHN COC(=O)COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110494 1163815651 /nfs/dbraw/zinc/81/56/51/1163815651.db2.gz BVJKHAJQPIPZPO-VIFPVBQESA-N 0 3 297.263 1.060 10 5 CDBEHN C[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC001559706512 960795518 /nfs/dbraw/zinc/79/55/18/960795518.db2.gz RPIMIQYQTUANSZ-HONMWMINSA-N 0 3 280.324 1.331 10 5 CDBEHN CCN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C(C)(C)C1 ZINC001558528420 965307844 /nfs/dbraw/zinc/30/78/44/965307844.db2.gz VPNFDPYRQBTHEC-JTQLQIEISA-N 0 3 280.328 1.383 10 5 CDBEHN Cn1cc([N+](=O)[O-])c(N2CCN[C@@H](c3ccccc3)C2)n1 ZINC001458618610 969321123 /nfs/dbraw/zinc/32/11/23/969321123.db2.gz NOPZHTHYTQJTNB-GFCCVEGCSA-N 0 3 287.323 1.479 10 5 CDBEHN O=[N+]([O-])c1ccccc1CNCC[C@H](O)C(F)F ZINC000601149920 342482406 /nfs/dbraw/zinc/48/24/06/342482406.db2.gz SZSCHFAXRZNFHU-JTQLQIEISA-N 0 3 260.240 1.701 10 5 CDBEHN C[C@@H]1[C@H](C)N(C)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000590696053 342583572 /nfs/dbraw/zinc/58/35/72/342583572.db2.gz NQQYZBRUBPQDRC-VHSXEESVSA-N 0 3 289.339 2.000 10 5 CDBEHN Cc1sc(C(=O)N2CC[C@@H](F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000595261357 343014590 /nfs/dbraw/zinc/01/45/90/343014590.db2.gz XRTLIRQUZFJJPO-HTQZYQBOSA-N 0 3 287.316 1.476 10 5 CDBEHN CCc1nn(C)c(N[C@H]2CCCN(CC)C2)c1[N+](=O)[O-] ZINC000091559455 349779228 /nfs/dbraw/zinc/77/92/28/349779228.db2.gz XBJQTUYKKGIHEP-JTQLQIEISA-N 0 3 281.360 1.787 10 5 CDBEHN C[C@@H](NCC[C@@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000404213094 349768396 /nfs/dbraw/zinc/76/83/96/349768396.db2.gz XJLVUMKMYCZCOK-BXUZGUMPSA-N 0 3 280.324 1.787 10 5 CDBEHN O=[N+]([O-])c1cc(CNCC[C@@]2(O)CCOC2)cs1 ZINC000404207275 349768865 /nfs/dbraw/zinc/76/88/65/349768865.db2.gz SPGOGSKHDHSFFL-LLVKDONJSA-N 0 3 272.326 1.287 10 5 CDBEHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](CCF)C1 ZINC000595755297 343141306 /nfs/dbraw/zinc/14/13/06/343141306.db2.gz KIJAUCQEDNBJCB-GFCCVEGCSA-N 0 3 297.330 1.828 10 5 CDBEHN Cc1ccc(CN2CCOC3(CNC3)C2)cc1[N+](=O)[O-] ZINC000596101126 343236061 /nfs/dbraw/zinc/23/60/61/343236061.db2.gz BMUNANSYISAGFO-UHFFFAOYSA-N 0 3 277.324 1.077 10 5 CDBEHN C[C@@H](NCC1(CO)COC1)c1ccccc1[N+](=O)[O-] ZINC000090606151 342396516 /nfs/dbraw/zinc/39/65/16/342396516.db2.gz GLLLRRXFUQCSRK-SNVBAGLBSA-N 0 3 266.297 1.254 10 5 CDBEHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1cn(C)nn1 ZINC000611973648 346943542 /nfs/dbraw/zinc/94/35/42/346943542.db2.gz UWCUIDZYBGULSW-NSHDSACASA-N 0 3 289.339 1.834 10 5 CDBEHN COc1cc(CNCCc2ccc([N+](=O)[O-])cc2)on1 ZINC000602712692 344553429 /nfs/dbraw/zinc/55/34/29/344553429.db2.gz DOHYQICXIIIGJA-UHFFFAOYSA-N 0 3 277.280 1.924 10 5 CDBEHN CO[C@@H]1CCCC[C@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602861585 344617457 /nfs/dbraw/zinc/61/74/57/344617457.db2.gz BXLGTSAERQZEPY-GHMZBOCLSA-N 0 3 268.317 1.376 10 5 CDBEHN O=[N+]([O-])c1ccc(CNC[C@H]2CCC[C@@H]2O)cc1 ZINC000089162863 346158487 /nfs/dbraw/zinc/15/84/87/346158487.db2.gz WKFLAXVNJWFUBJ-YPMHNXCESA-N 0 3 250.298 1.845 10 5 CDBEHN O=[N+]([O-])c1ccc(CNCC[C@]2(O)CCOC2)c(F)c1 ZINC000404169602 346626601 /nfs/dbraw/zinc/62/66/01/346626601.db2.gz SUKFOJLDOXCIQR-ZDUSSCGKSA-N 0 3 284.287 1.365 10 5 CDBEHN CN(C[C@@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])nc1 ZINC000344431749 362777165 /nfs/dbraw/zinc/77/71/65/362777165.db2.gz LBZPZXGESNQRKS-LLVKDONJSA-N 0 3 264.329 1.768 10 5 CDBEHN CNc1ccc(CN(C)C[C@H](O)COC)cc1[N+](=O)[O-] ZINC000050817900 522607785 /nfs/dbraw/zinc/60/77/85/522607785.db2.gz FFSUQCJYEBXSHL-NSHDSACASA-N 0 3 283.328 1.076 10 5 CDBEHN CC1(C)[C@H](O)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000361417204 358183084 /nfs/dbraw/zinc/18/30/84/358183084.db2.gz VTMYDYXLZWXYOY-CYBMUJFWSA-N 0 3 280.324 1.819 10 5 CDBEHN O=[N+]([O-])c1ccc(CNC[C@H](CO)c2cccnc2)cc1 ZINC000342287918 358982281 /nfs/dbraw/zinc/98/22/81/358982281.db2.gz VLMGLSIBPICKHI-CQSZACIVSA-N 0 3 287.319 1.856 10 5 CDBEHN CNC(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183245923 189352344 /nfs/dbraw/zinc/35/23/44/189352344.db2.gz BBUJGEFAMGCMHS-UHFFFAOYSA-N 0 3 291.351 1.861 10 5 CDBEHN CCN1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C)C1 ZINC000389432270 364906518 /nfs/dbraw/zinc/90/65/18/364906518.db2.gz YSDFLDSPOWMBCB-JTQLQIEISA-N 0 3 250.302 1.804 10 5 CDBEHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000170855056 369949617 /nfs/dbraw/zinc/94/96/17/369949617.db2.gz ZZOYLIVSZFRICN-JTQLQIEISA-N 0 3 293.323 1.380 10 5 CDBEHN COc1cccc([C@H]2SC[C@H](O)C2[N+](=O)[O-])c1 ZINC000584654066 374322557 /nfs/dbraw/zinc/32/25/57/374322557.db2.gz NNDFCLNBGWSWLF-GARJFASQSA-N 0 3 255.295 1.489 10 5 CDBEHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC23CCOCC3)c1 ZINC000368895730 374335977 /nfs/dbraw/zinc/33/59/77/374335977.db2.gz JZWHWRMZOYMFKF-AWEZNQCLSA-N 0 3 292.335 1.883 10 5 CDBEHN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1n[n-]cc1[N+](=O)[O-] ZINC000245930742 379364869 /nfs/dbraw/zinc/36/48/69/379364869.db2.gz YJOWLRGVZYKISV-UWVGGRQHSA-N 0 3 293.327 1.017 10 5 CDBEHN CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1n[n-]cc1[N+](=O)[O-] ZINC000245930742 379364874 /nfs/dbraw/zinc/36/48/74/379364874.db2.gz YJOWLRGVZYKISV-UWVGGRQHSA-N 0 3 293.327 1.017 10 5 CDBEHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H]2C2CC2)c1 ZINC000453011434 252250533 /nfs/dbraw/zinc/25/05/33/252250533.db2.gz HVPGLJUSUWGOMX-DZGCQCFKSA-N 0 3 292.335 1.819 10 5 CDBEHN CNC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000420976649 392924399 /nfs/dbraw/zinc/92/43/99/392924399.db2.gz POCWBQWCQHAJPQ-LLVKDONJSA-N 0 3 293.323 1.171 10 5 CDBEHN Cc1ccsc1[C@H](CO)NCCn1cc([N+](=O)[O-])cn1 ZINC000494637691 393236186 /nfs/dbraw/zinc/23/61/86/393236186.db2.gz PRPOMVCLXOKSIO-NSHDSACASA-N 0 3 296.352 1.484 10 5 CDBEHN O=[N+]([O-])c1cccc(CNCC[C@@H](O)C(F)(F)F)c1 ZINC000349303895 154084137 /nfs/dbraw/zinc/08/41/37/154084137.db2.gz ZJSYULLELQQGED-SNVBAGLBSA-N 0 3 278.230 1.998 10 5 CDBEHN C[C@@H](O)c1ccc(N2CCCN(C)CC2)c([N+](=O)[O-])c1 ZINC000035631493 172313967 /nfs/dbraw/zinc/31/39/67/172313967.db2.gz CIDYXQMCFSAYHJ-LLVKDONJSA-N 0 3 279.340 1.790 10 5 CDBEHN CO[C@H]1CN[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000040633268 174359221 /nfs/dbraw/zinc/35/92/21/174359221.db2.gz SOBBKICVZNJPIQ-SCZZXKLOSA-N 0 3 299.714 1.564 10 5 CDBEHN CO[C@H]1CN[C@H](C(=O)Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000040632928 174359601 /nfs/dbraw/zinc/35/96/01/174359601.db2.gz RMKWZLNIMNUOSJ-SCZZXKLOSA-N 0 3 283.259 1.049 10 5 CDBEHN CCN[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300773 175001348 /nfs/dbraw/zinc/00/13/48/175001348.db2.gz AQCRUSVHSZOWNI-YPMHNXCESA-N 0 3 298.364 1.680 10 5 CDBEHN CN(C)C(=O)CCCOc1ccc([N+](=O)[O-])cc1CN ZINC000043448067 175049067 /nfs/dbraw/zinc/04/90/67/175049067.db2.gz UETAJHNHUZUNER-UHFFFAOYSA-N 0 3 281.312 1.301 10 5 CDBEHN C[C@@]1(NCCc2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)C1 ZINC000044930314 175279935 /nfs/dbraw/zinc/27/99/35/175279935.db2.gz LULQNBZEPXGKOM-CYBMUJFWSA-N 0 3 298.364 1.304 10 5 CDBEHN COC[C@@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000071267188 176100577 /nfs/dbraw/zinc/10/05/77/176100577.db2.gz GUUYTTOLTDRZHB-ZJUUUORDSA-N 0 3 254.286 1.253 10 5 CDBEHN C[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CCN1 ZINC000122875115 274591353 /nfs/dbraw/zinc/59/13/53/274591353.db2.gz FGQUMUQLOOIYTG-JTQLQIEISA-N 0 3 272.308 1.941 10 5 CDBEHN C[C@@H]1CN[C@@H](C)CN1c1cccc(F)c1[N+](=O)[O-] ZINC000086471402 288328543 /nfs/dbraw/zinc/32/85/43/288328543.db2.gz ZIIOKMMDSHBGOL-DTWKUNHWSA-N 0 3 253.277 1.921 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)C(C)C ZINC000151965026 289110783 /nfs/dbraw/zinc/11/07/83/289110783.db2.gz VKPRKSCPZXDTBO-UHFFFAOYSA-N 0 3 294.355 1.710 10 5 CDBEHN CN[C@@H](CCOc1ccc([N+](=O)[O-])c(Cl)c1)C(N)=O ZINC000062595654 522348553 /nfs/dbraw/zinc/34/85/53/522348553.db2.gz MXSMJHWTPFHREA-VIFPVBQESA-N 0 3 287.703 1.090 10 5 CDBEHN CCOC[C@H](O)COc1ccc(CNC)cc1[N+](=O)[O-] ZINC000069274938 520164729 /nfs/dbraw/zinc/16/47/29/520164729.db2.gz FHLOPNPTJXPZIH-NSHDSACASA-N 0 3 284.312 1.090 10 5 CDBEHN CCN1CCC[C@H](NC(=O)c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000050708140 521648203 /nfs/dbraw/zinc/64/82/03/521648203.db2.gz QCGKIFYURSWLHA-NSHDSACASA-N 0 3 292.339 1.391 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(O[C@@H]2CCCC[C@H]2O)c1 ZINC000050516751 522124337 /nfs/dbraw/zinc/12/43/37/522124337.db2.gz NJKNYGJQWXHMCD-CHWSQXEVSA-N 0 3 280.324 1.997 10 5 CDBEHN CN[C@@](C)(C[C@H](C)Oc1ccc([N+](=O)[O-])c(F)c1)C(N)=O ZINC000068652466 522418908 /nfs/dbraw/zinc/41/89/08/522418908.db2.gz XGRNMKRRONTLDN-SDBXPKJASA-N 0 3 299.302 1.355 10 5 CDBEHN CN[C@](COc1cc([N+](=O)[O-])ccc1C)(C(N)=O)C1CC1 ZINC000069194340 522529967 /nfs/dbraw/zinc/52/99/67/522529967.db2.gz MDJQJDHBGOIIFF-AWEZNQCLSA-N 0 3 293.323 1.136 10 5 CDBEHN C[C@H]1CN(CCCNc2ccncc2[N+](=O)[O-])CCCO1 ZINC000340900441 524588984 /nfs/dbraw/zinc/58/89/84/524588984.db2.gz IQTAXASSYXCLQX-LBPRGKRZSA-N 0 3 294.355 1.325 10 5 CDBEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000069133195 525097346 /nfs/dbraw/zinc/09/73/46/525097346.db2.gz SEWZBHWIMUTVSG-HTQZYQBOSA-N 0 3 253.258 1.010 10 5 CDBEHN C[C@@H]1CNC[C@H](C)N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000069132964 525099353 /nfs/dbraw/zinc/09/93/53/525099353.db2.gz FNWAULLJYMXIIT-PHIMTYICSA-N 0 3 277.324 1.346 10 5 CDBEHN CS[C@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@@H]1N(C)C ZINC000340745411 525915223 /nfs/dbraw/zinc/91/52/23/525915223.db2.gz QIXPBLDLWGNFPD-QWRGUYRKSA-N 0 3 282.369 1.472 10 5 CDBEHN N=C(N)c1cc(COc2ccc([N+](=O)[O-])c(F)c2)ccn1 ZINC000068762689 526819336 /nfs/dbraw/zinc/81/93/36/526819336.db2.gz RKEGYZVXKPGHQC-UHFFFAOYSA-N 0 3 290.254 1.992 10 5 CDBEHN O=[N+]([O-])c1ccccc1CCN1CCC[C@@H]1CO ZINC000062727293 527397398 /nfs/dbraw/zinc/39/73/98/527397398.db2.gz RQPHCMMVYHKUMZ-GFCCVEGCSA-N 0 3 250.298 1.594 10 5 CDBEHN Nc1cc([N+](=O)[O-])ccc1N[C@H]1CCN(C2CC2)C1 ZINC000052841323 527461604 /nfs/dbraw/zinc/46/16/04/527461604.db2.gz VYCRNYLKDDWJCN-VIFPVBQESA-N 0 3 262.313 1.826 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CN(C)C)C(C)C ZINC000733166915 575102798 /nfs/dbraw/zinc/10/27/98/575102798.db2.gz TXZOCVCDCQWMRL-ZDUSSCGKSA-N 0 3 294.355 1.614 10 5 CDBEHN CC(COC(=O)COCCOc1ccccc1)[N+](=O)[O-] ZINC000813107904 617344620 /nfs/dbraw/zinc/34/46/20/617344620.db2.gz RNMNHLTVLYWTBG-LLVKDONJSA-N 0 3 283.280 1.290 10 5 CDBEHN COC1(OC)CC[C@@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000925155530 688557997 /nfs/dbraw/zinc/55/79/97/688557997.db2.gz WCTDHZVJHXPXQM-ZDUSSCGKSA-N 0 3 280.324 1.878 10 5 CDBEHN CC(COC(=O)Cn1ccc2ccccc21)[N+](=O)[O-] ZINC000813114584 688749064 /nfs/dbraw/zinc/74/90/64/688749064.db2.gz DFUUSQAVALOXQJ-JTQLQIEISA-N 0 3 262.265 1.850 10 5 CDBEHN CN1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCC1(C)C ZINC000871152665 688790367 /nfs/dbraw/zinc/79/03/67/688790367.db2.gz NEIXTLCOVUKSBU-UHFFFAOYSA-N 0 3 280.328 1.479 10 5 CDBEHN CC(COC(=O)CCc1nc(C2CCCC2)no1)[N+](=O)[O-] ZINC000813109917 688885025 /nfs/dbraw/zinc/88/50/25/688885025.db2.gz QGSPZRCMIJJCDR-VIFPVBQESA-N 0 3 297.311 1.868 10 5 CDBEHN CN1CC[C@@H](NCC[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000930519327 694414350 /nfs/dbraw/zinc/41/43/50/694414350.db2.gz RVWSMNKNYIXPSQ-OLZOCXBDSA-N 0 3 283.759 1.952 10 5 CDBEHN CC(COC(=O)c1nn(C)cc1Br)[N+](=O)[O-] ZINC000816092005 692685292 /nfs/dbraw/zinc/68/52/92/692685292.db2.gz PUCSJLLMKASRSP-RXMQYKEDSA-N 0 3 292.089 1.005 10 5 CDBEHN COC(=O)Cc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813104507 692854171 /nfs/dbraw/zinc/85/41/71/692854171.db2.gz NMEHVEFSLWANMR-VIFPVBQESA-N 0 3 281.264 1.224 10 5 CDBEHN CC(=O)N[C@H](CC(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813112473 693126497 /nfs/dbraw/zinc/12/64/97/693126497.db2.gz QKSQOXFISRTAJN-ZWNOBZJWSA-N 0 3 294.307 1.462 10 5 CDBEHN COC(=O)C1=CC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000862464576 693134225 /nfs/dbraw/zinc/13/42/25/693134225.db2.gz BYYISGMJVCCIHM-LBPRGKRZSA-N 0 3 276.292 1.946 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000226130178 694580071 /nfs/dbraw/zinc/58/00/71/694580071.db2.gz KVWQVCYMHSIMCA-JTQLQIEISA-N 0 3 281.287 1.558 10 5 CDBEHN CC(=O)N[C@@H](CC(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813112470 693465957 /nfs/dbraw/zinc/46/59/57/693465957.db2.gz QKSQOXFISRTAJN-GWCFXTLKSA-N 0 3 294.307 1.462 10 5 CDBEHN CC(COC(=O)c1cccc2c1OCCO2)[N+](=O)[O-] ZINC000813108418 694821108 /nfs/dbraw/zinc/82/11/08/694821108.db2.gz YJEPWQHVVFIMFC-MRVPVSSYSA-N 0 3 267.237 1.280 10 5 CDBEHN COCCOCc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110608 1163816288 /nfs/dbraw/zinc/81/62/88/1163816288.db2.gz FMQSQEWSYYEBFP-NSHDSACASA-N 0 3 297.307 1.672 10 5 CDBEHN CCCC(=O)N1CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813113939 1163818732 /nfs/dbraw/zinc/81/87/32/1163818732.db2.gz WQYCQLJPCSLVPA-QWRGUYRKSA-N 0 3 286.328 1.234 10 5 CDBEHN COc1cccc2c1[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2 ZINC000816091218 723345865 /nfs/dbraw/zinc/34/58/65/723345865.db2.gz OKNMSCZZYDUDAX-ONGXEEELSA-N 0 3 279.292 1.933 10 5 CDBEHN CC(COC(=O)c1ncsc1Br)[N+](=O)[O-] ZINC000813103319 723676379 /nfs/dbraw/zinc/67/63/79/723676379.db2.gz ZZDMEFRYPIHNDR-SCSAIBSYSA-N 0 3 295.114 1.728 10 5 CDBEHN Cc1c(CNC[C@H](O)CC(C)(C)O)cccc1[N+](=O)[O-] ZINC000872207578 1165394733 /nfs/dbraw/zinc/39/47/33/1165394733.db2.gz TXDHQIWQGZFWQY-GFCCVEGCSA-N 0 3 282.340 1.515 10 5 CDBEHN O=[N+]([O-])c1ccc(Cl)cc1N1CC(N[C@H]2CCOC2)C1 ZINC001640464831 1167028961 /nfs/dbraw/zinc/02/89/61/1167028961.db2.gz IFNSJCUWGCFCLQ-JTQLQIEISA-N 0 3 297.742 1.815 10 5 CDBEHN N[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000851648603 927595443 /nfs/dbraw/zinc/59/54/43/927595443.db2.gz LHTPRTSGROJMEB-WKSPHBBESA-N 0 3 293.298 1.506 10 5 CDBEHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCOCCCO ZINC001346504489 965146715 /nfs/dbraw/zinc/14/67/15/965146715.db2.gz KFDAIVLIJXEPTH-CYBMUJFWSA-N 0 3 280.324 1.571 10 5 CDBEHN O=[N+]([O-])c1cccc(F)c1N1CC(N[C@H]2CCOC2)C1 ZINC001651457146 1171326025 /nfs/dbraw/zinc/32/60/25/1171326025.db2.gz KYIMPARYWLHAFP-VIFPVBQESA-N 0 3 281.287 1.301 10 5 CDBEHN O=[N+]([O-])c1ccc2ncnc(N3CC(N4CCCC4)C3)c2c1 ZINC000601193380 342488710 /nfs/dbraw/zinc/48/87/10/342488710.db2.gz HBVFSRDORMCXGQ-UHFFFAOYSA-N 0 3 299.334 1.822 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CCCC[C@H]2C2(O)CC2)n1 ZINC000590969319 342612134 /nfs/dbraw/zinc/61/21/34/342612134.db2.gz SMUGRGGWBVEBQX-NSHDSACASA-N 0 3 280.328 1.171 10 5 CDBEHN NC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000401766492 342712285 /nfs/dbraw/zinc/71/22/85/342712285.db2.gz GOEODTVOGYFIQM-QMMMGPOBSA-N 0 3 292.217 1.606 10 5 CDBEHN CO[C@](C)(CO)CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000594509040 342914934 /nfs/dbraw/zinc/91/49/34/342914934.db2.gz HIDJMBAGWNBLNP-DYLGSBMWSA-N 0 3 280.324 1.595 10 5 CDBEHN COC[C@H](CCNCc1ccccc1[N+](=O)[O-])OC ZINC000594952015 342982187 /nfs/dbraw/zinc/98/21/87/342982187.db2.gz PEJNUXDYOWISGF-LBPRGKRZSA-N 0 3 268.313 1.736 10 5 CDBEHN CCN1CC[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401162150 349712033 /nfs/dbraw/zinc/71/20/33/349712033.db2.gz CCOOUNWHNRHFEB-SECBINFHSA-N 0 3 254.265 1.635 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@H]2C[C@@H](O)C23CCC3)cc1 ZINC000594988654 342993929 /nfs/dbraw/zinc/99/39/29/342993929.db2.gz RKORMWILKZSZBE-QWHCGFSZSA-N 0 3 262.309 1.988 10 5 CDBEHN C[C@H](NC[C@@H](O)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000599067302 343948105 /nfs/dbraw/zinc/94/81/05/343948105.db2.gz ZCUNCMIRXPHLGP-GDLCADMTSA-N 0 3 280.324 1.785 10 5 CDBEHN C[C@@H](CCN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])nc1 ZINC000351561812 362457104 /nfs/dbraw/zinc/45/71/04/362457104.db2.gz HVOVORNYZWHDNI-LBPRGKRZSA-N 0 3 293.371 1.428 10 5 CDBEHN C[C@](CO)(NC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000602965281 344668950 /nfs/dbraw/zinc/66/89/50/344668950.db2.gz BKSYYSFACDNXHL-UONOGXRCSA-N 0 3 280.324 1.571 10 5 CDBEHN C[C@H](C(=O)N[C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000617722343 345927285 /nfs/dbraw/zinc/92/72/85/345927285.db2.gz MMOHUUXWYRJESZ-AAEUAGOBSA-N 0 3 291.351 1.909 10 5 CDBEHN O=[N+]([O-])c1cc(CNCCC2CS(=O)(=O)C2)cs1 ZINC000615728130 348653416 /nfs/dbraw/zinc/65/34/16/348653416.db2.gz ANXYNBMKPVLCJO-UHFFFAOYSA-N 0 3 290.366 1.181 10 5 CDBEHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCSCC1 ZINC000090591150 180010602 /nfs/dbraw/zinc/01/06/02/180010602.db2.gz FIFCUPXRONXTGX-UHFFFAOYSA-N 0 3 283.353 1.195 10 5 CDBEHN CC[C@H](NC[C@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000091667206 180223500 /nfs/dbraw/zinc/22/35/00/180223500.db2.gz MVZAFEJZTQFGBE-GJZGRUSLSA-N 0 3 293.367 1.966 10 5 CDBEHN O=[N+]([O-])c1cc(Br)cnc1NC1CNC1 ZINC000085256650 363061661 /nfs/dbraw/zinc/06/16/61/363061661.db2.gz NDFQWVSZLJLFJP-UHFFFAOYSA-N 0 3 273.090 1.136 10 5 CDBEHN CC1(C)[C@@H](O)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000336794878 356262742 /nfs/dbraw/zinc/26/27/42/356262742.db2.gz GMDKDYIAPSEBEF-LBPRGKRZSA-N 0 3 250.298 1.940 10 5 CDBEHN CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C)CO ZINC000339629496 359419822 /nfs/dbraw/zinc/41/98/22/359419822.db2.gz JHQGYJJKOIQFNG-JTQLQIEISA-N 0 3 268.313 1.806 10 5 CDBEHN CN1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000367838246 370967509 /nfs/dbraw/zinc/96/75/09/370967509.db2.gz BTNYUVVTHWWGFH-AWEZNQCLSA-N 0 3 290.323 1.158 10 5 CDBEHN Cc1nn(C)c(Nc2cnn(CCN(C)C)c2)c1[N+](=O)[O-] ZINC000301252210 370199437 /nfs/dbraw/zinc/19/94/37/370199437.db2.gz DOTBXACRICXAQD-UHFFFAOYSA-N 0 3 293.331 1.138 10 5 CDBEHN CN(C)[C@@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000133895971 373017891 /nfs/dbraw/zinc/01/78/91/373017891.db2.gz YBKUPFSRKPHPIO-SNVBAGLBSA-N 0 3 281.287 1.510 10 5 CDBEHN CCN(CCNC(=O)c1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000531882294 374513939 /nfs/dbraw/zinc/51/39/39/374513939.db2.gz FBKYRRFAFLOYKW-UHFFFAOYSA-N 0 3 278.312 1.204 10 5 CDBEHN CN(C)C[C@H]1CCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000330501544 374858828 /nfs/dbraw/zinc/85/88/28/374858828.db2.gz UUQQLXBISORAKK-CYBMUJFWSA-N 0 3 291.351 1.690 10 5 CDBEHN Cc1n[nH]c(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000266046205 190225779 /nfs/dbraw/zinc/22/57/79/190225779.db2.gz FAVBRXPCIQGOLA-WPRPVWTQSA-N 0 3 295.343 1.181 10 5 CDBEHN Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000266046205 190225780 /nfs/dbraw/zinc/22/57/80/190225780.db2.gz FAVBRXPCIQGOLA-WPRPVWTQSA-N 0 3 295.343 1.181 10 5 CDBEHN COCCN1CCCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000450253948 251193639 /nfs/dbraw/zinc/19/36/39/251193639.db2.gz QYEYYSXNFSUDAZ-UHFFFAOYSA-N 0 3 280.328 1.148 10 5 CDBEHN O=[N+]([O-])c1cc(Cl)cnc1N1CCN2CCC[C@@H]2C1 ZINC000178833550 285091970 /nfs/dbraw/zinc/09/19/70/285091970.db2.gz YQWJQLMHUHJPRC-SNVBAGLBSA-N 0 3 282.731 1.928 10 5 CDBEHN O=[N+]([O-])c1cnc2c(c1)CN(C[C@@H]1CCOC1)CC2 ZINC000408196114 285184309 /nfs/dbraw/zinc/18/43/09/285184309.db2.gz ARYKPUXQXWUGBG-JTQLQIEISA-N 0 3 263.297 1.384 10 5 CDBEHN CC(C)N(C/C=C/c1ccccc1[N+](=O)[O-])C[C@H](O)CO ZINC000421409775 392934977 /nfs/dbraw/zinc/93/49/77/392934977.db2.gz NNOVCBLDWGQIQG-DYLGSBMWSA-N 0 3 294.351 1.672 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN(CCO)[C@H]1CCO[C@H]1C ZINC000449677686 393137350 /nfs/dbraw/zinc/13/73/50/393137350.db2.gz NJOPYWJZJBTKFA-WFASDCNBSA-N 0 3 294.351 1.875 10 5 CDBEHN CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000347011940 153378609 /nfs/dbraw/zinc/37/86/09/153378609.db2.gz NJJQYDRLVNDICA-AWEZNQCLSA-N 0 3 289.335 1.904 10 5 CDBEHN CCNCc1cc([N+](=O)[O-])ccc1OCCCO ZINC000043443988 175047888 /nfs/dbraw/zinc/04/78/88/175047888.db2.gz RBGSMSWYWVUSPL-UHFFFAOYSA-N 0 3 254.286 1.466 10 5 CDBEHN CNCc1ccc(OCCCC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000043448016 175048645 /nfs/dbraw/zinc/04/86/45/175048645.db2.gz MKSXPNBCXHSTQK-UHFFFAOYSA-N 0 3 295.339 1.561 10 5 CDBEHN N[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000070987336 176018495 /nfs/dbraw/zinc/01/84/95/176018495.db2.gz VIFATXYOIDMBMP-SMDDNHRTSA-N 0 3 275.308 1.748 10 5 CDBEHN CCN1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)C1 ZINC000076489300 177027681 /nfs/dbraw/zinc/02/76/81/177027681.db2.gz ANIVEYSNICBXEP-MNOVXSKESA-N 0 3 295.339 1.990 10 5 CDBEHN C[C@H]1NC(=O)CC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000392942029 270336362 /nfs/dbraw/zinc/33/63/62/270336362.db2.gz QBPTVCJCKBUQSS-KOLCDFICSA-N 0 3 263.297 1.352 10 5 CDBEHN CC(=O)[C@@](C)(O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451101405 275499955 /nfs/dbraw/zinc/49/99/55/275499955.db2.gz COLBNGXEUIKEJX-ZANVPECISA-N 0 3 266.297 1.585 10 5 CDBEHN CC(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001731886342 1182653367 /nfs/dbraw/zinc/65/33/67/1182653367.db2.gz GVWOUNJQUXBYLL-UHFFFAOYSA-N 0 3 251.286 1.163 10 5 CDBEHN CC(C)(C)NCc1cc([N+](=O)[O-])ccc1OCC(N)=O ZINC000062731994 518765110 /nfs/dbraw/zinc/76/51/10/518765110.db2.gz NRDAPXFATSUCQE-UHFFFAOYSA-N 0 3 281.312 1.347 10 5 CDBEHN CC(C)CN1C(=O)C[C@H](N)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000062209867 519719454 /nfs/dbraw/zinc/71/94/54/519719454.db2.gz QSKDKTVTFSRGHN-GXTWGEPZSA-N 0 3 277.324 1.852 10 5 CDBEHN CCOc1cc(CNCCOC)ccc1[N+](=O)[O-] ZINC000062733362 520716125 /nfs/dbraw/zinc/71/61/25/520716125.db2.gz IRQMENQLHLNBHL-UHFFFAOYSA-N 0 3 254.286 1.730 10 5 CDBEHN CNC(C)(C)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000061300793 521939897 /nfs/dbraw/zinc/93/98/97/521939897.db2.gz MVLMXTQFALRDLK-UHFFFAOYSA-N 0 3 281.268 1.260 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(OCC(=O)NCC(C)C)c1 ZINC000050516885 522125946 /nfs/dbraw/zinc/12/59/46/522125946.db2.gz JRGVLLDQWNUYRT-UHFFFAOYSA-N 0 3 295.339 1.465 10 5 CDBEHN CN[C@@H](C)C(=O)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000054075117 522318253 /nfs/dbraw/zinc/31/82/53/522318253.db2.gz NOXGIXYTAVOEAY-VIFPVBQESA-N 0 3 251.286 1.161 10 5 CDBEHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1cc([N+](=O)[O-])ccc1N ZINC000050815298 524391142 /nfs/dbraw/zinc/39/11/42/524391142.db2.gz OJXZPNCGQUADAA-UWVGGRQHSA-N 0 3 292.339 1.263 10 5 CDBEHN C[C@@H](CN1CCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000049184170 524595881 /nfs/dbraw/zinc/59/58/81/524595881.db2.gz JTSORYUYKUUFNW-JTQLQIEISA-N 0 3 250.302 1.886 10 5 CDBEHN Cc1ccc(C(=O)N2[C@H](C)CNC[C@H]2C)cc1[N+](=O)[O-] ZINC000069133369 526141256 /nfs/dbraw/zinc/14/12/56/526141256.db2.gz CLBBHOJPUPQLDV-GHMZBOCLSA-N 0 3 277.324 1.726 10 5 CDBEHN CC(COC(=O)/C=C\c1ccnc(Cl)c1)[N+](=O)[O-] ZINC000813101481 617342018 /nfs/dbraw/zinc/34/20/18/617342018.db2.gz BHKWGFZPSAAYHW-YAJNLLPGSA-N 0 3 270.672 1.957 10 5 CDBEHN COc1cc(F)c([N+](=O)[O-])c(N[C@@H](CO)CN(C)C)c1 ZINC000809340196 695301857 /nfs/dbraw/zinc/30/18/57/695301857.db2.gz GUKLFUBSWDAAFN-MRVPVSSYSA-N 0 3 287.291 1.077 10 5 CDBEHN C[C@@H](NC[C@@H](O)C1(O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000930207629 695328413 /nfs/dbraw/zinc/32/84/13/695328413.db2.gz CTDBTKJKMFFVLC-BXUZGUMPSA-N 0 3 294.351 1.911 10 5 CDBEHN COCCCOc1ccc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813105394 695359293 /nfs/dbraw/zinc/35/92/93/695359293.db2.gz YRJAWLCOJAJEMH-JTQLQIEISA-N 0 3 298.295 1.319 10 5 CDBEHN COc1cc(OC)cc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813106486 695388944 /nfs/dbraw/zinc/38/89/44/695388944.db2.gz DDRAAQUEZVEFFP-QMMMGPOBSA-N 0 3 269.253 1.526 10 5 CDBEHN CC(COC(=O)c1cccn(C(C)(C)C)c1=O)[N+](=O)[O-] ZINC000870378424 695403907 /nfs/dbraw/zinc/40/39/07/695403907.db2.gz WSBGLPVDSKMOJT-VIFPVBQESA-N 0 3 282.296 1.425 10 5 CDBEHN CC(COC(=O)c1ccc(O[C@@H]2CCOC2)cc1)[N+](=O)[O-] ZINC000813102654 695474724 /nfs/dbraw/zinc/47/47/24/695474724.db2.gz IFLLZFOXKDNIJB-GXFFZTMASA-N 0 3 295.291 1.676 10 5 CDBEHN CC1(C)[C@H]2[C@H](CCCN2CCn2ccc([N+](=O)[O-])n2)[C@@H]1O ZINC000872258235 695578108 /nfs/dbraw/zinc/57/81/08/695578108.db2.gz YWUIURIALZZHPD-UHTWSYAYSA-N 0 3 294.355 1.273 10 5 CDBEHN Cc1cccc(C)c1OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813115392 695808623 /nfs/dbraw/zinc/80/86/23/695808623.db2.gz QSIJXRJQADOLNL-NSHDSACASA-N 0 3 267.281 1.891 10 5 CDBEHN CC(COC(=O)c1coc(Br)c1)[N+](=O)[O-] ZINC000813110257 696048054 /nfs/dbraw/zinc/04/80/54/696048054.db2.gz VXQHMBDTFNDGJQ-YFKPBYRVSA-N 0 3 278.058 1.864 10 5 CDBEHN COCc1nc(C(=O)OCC(C)[N+](=O)[O-])cs1 ZINC000813104675 696137527 /nfs/dbraw/zinc/13/75/27/696137527.db2.gz PVAKKSKRUSUZNC-ZCFIWIBFSA-N 0 3 260.271 1.112 10 5 CDBEHN C[C@@H](CN1CCCCC1)Nc1nn(C)cc1[N+](=O)[O-] ZINC000231667927 1178173241 /nfs/dbraw/zinc/17/32/41/1178173241.db2.gz PWKRYUVVGHKRLG-JTQLQIEISA-N 0 3 267.333 1.615 10 5 CDBEHN CC(COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)[N+](=O)[O-] ZINC000813109117 1163816128 /nfs/dbraw/zinc/81/61/28/1163816128.db2.gz FPNDDKHAJXPHGB-GHMZBOCLSA-N 0 3 292.291 1.248 10 5 CDBEHN CC(=O)c1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813103912 723704881 /nfs/dbraw/zinc/70/48/81/723704881.db2.gz IBKJPGKMQIVLBB-QMMMGPOBSA-N 0 3 251.238 1.711 10 5 CDBEHN C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923494472 723781681 /nfs/dbraw/zinc/78/16/81/723781681.db2.gz NFWGQMCNJDZVLN-GHMZBOCLSA-N 0 3 279.340 1.717 10 5 CDBEHN CC[C@@H](C(=O)NCc1ccc(C)c([N+](=O)[O-])c1)N(C)C ZINC000825648680 723810119 /nfs/dbraw/zinc/81/01/19/723810119.db2.gz XPCOGRQRQWJCLX-LBPRGKRZSA-N 0 3 279.340 1.860 10 5 CDBEHN CC(COC(=O)CCCc1ccccn1)[N+](=O)[O-] ZINC000813106094 724256537 /nfs/dbraw/zinc/25/65/37/724256537.db2.gz YEXPFKQTTPYQOA-SNVBAGLBSA-N 0 3 252.270 1.613 10 5 CDBEHN CC[C@H](NCCn1cnnn1)c1cccc([N+](=O)[O-])c1 ZINC000878369797 724527778 /nfs/dbraw/zinc/52/77/78/724527778.db2.gz BDVHITOARUYXRW-LBPRGKRZSA-N 0 3 276.300 1.322 10 5 CDBEHN COC(=O)[C@H]1CC[C@H](C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813111030 724795754 /nfs/dbraw/zinc/79/57/54/724795754.db2.gz AREYLOITYIBFAH-GUBZILKMSA-N 0 3 273.285 1.174 10 5 CDBEHN Cc1nn(CC(=O)OCC(C)[N+](=O)[O-])c(C)c1Cl ZINC000813115367 723833578 /nfs/dbraw/zinc/83/35/78/723833578.db2.gz QCWONOOWSUYHPX-LURJTMIESA-N 0 3 275.692 1.362 10 5 CDBEHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1C(C)C ZINC000813102691 724064528 /nfs/dbraw/zinc/06/45/28/724064528.db2.gz IUPFJFMZDUPOMN-QMMMGPOBSA-N 0 3 255.274 1.594 10 5 CDBEHN CCc1noc(CC)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813108918 725262968 /nfs/dbraw/zinc/26/29/68/725262968.db2.gz CASYDLYCHLKMPI-QMMMGPOBSA-N 0 3 270.285 1.550 10 5 CDBEHN C[C@H](NCCOCCCO)c1cccc([N+](=O)[O-])c1 ZINC000353973791 1167335242 /nfs/dbraw/zinc/33/52/42/1167335242.db2.gz QNCHHGVHLQZDOL-NSHDSACASA-N 0 3 268.313 1.644 10 5 CDBEHN CN(CC1CN(C)C1)c1ccc(N)cc1[N+](=O)[O-] ZINC000853825220 928102329 /nfs/dbraw/zinc/10/23/29/928102329.db2.gz ZZSMDIVVYQALRQ-UHFFFAOYSA-N 0 3 250.302 1.175 10 5 CDBEHN Cc1ccc(-c2cnc(N3CCNCC3)nc2)cc1[N+](=O)[O-] ZINC000600844953 342252286 /nfs/dbraw/zinc/25/22/86/342252286.db2.gz CDFYFXIBKJPQMB-UHFFFAOYSA-N 0 3 299.334 1.770 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN1CC[C@H](Cn2ccnn2)C1 ZINC000595608525 343107630 /nfs/dbraw/zinc/10/76/30/343107630.db2.gz RWOUZXFDBHXQFZ-LBPRGKRZSA-N 0 3 287.323 1.708 10 5 CDBEHN C[C@H]1[C@@H](O)CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000294980058 199281461 /nfs/dbraw/zinc/28/14/61/199281461.db2.gz JQUVCFXDSDRRSQ-GWCFXTLKSA-N 0 3 250.298 1.940 10 5 CDBEHN CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H](CN)C(F)(F)F ZINC000595985841 343212072 /nfs/dbraw/zinc/21/20/72/343212072.db2.gz CDJRWVGYPWXVTI-ZCFIWIBFSA-N 0 3 297.258 1.618 10 5 CDBEHN N[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1F ZINC000595906265 343188363 /nfs/dbraw/zinc/18/83/63/343188363.db2.gz IKRZRFGBPOVRJJ-ZYHUDNBSSA-N 0 3 271.267 1.605 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@]2(O)C[C@H]2C1 ZINC000597210530 343475753 /nfs/dbraw/zinc/47/57/53/343475753.db2.gz IRNHVMBKBIHNBG-GXTWGEPZSA-N 0 3 262.309 1.860 10 5 CDBEHN NC(=O)[C@H]1C[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000599070378 343948818 /nfs/dbraw/zinc/94/88/18/343948818.db2.gz MPASQFXBOZMEAC-KBVBSXBZSA-N 0 3 275.308 1.436 10 5 CDBEHN Cc1ccc([C@@H](C)NC[C@H]2COCCN2C)cc1[N+](=O)[O-] ZINC000599082681 343957739 /nfs/dbraw/zinc/95/77/39/343957739.db2.gz YCNVDORMEZFUMB-OCCSQVGLSA-N 0 3 293.367 1.884 10 5 CDBEHN COc1cc(CN(C)C[C@@H](O)C2CC2)ccc1[N+](=O)[O-] ZINC000305791844 350097117 /nfs/dbraw/zinc/09/71/17/350097117.db2.gz BDWGFCGGSZKYQS-CYBMUJFWSA-N 0 3 280.324 1.806 10 5 CDBEHN COC[C@@](C)(CCO)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154434193 188142609 /nfs/dbraw/zinc/14/26/09/188142609.db2.gz AMRXEWIONBTUJO-UONOGXRCSA-N 0 3 298.339 1.005 10 5 CDBEHN CCN1CCN(c2ccc([N+](=O)[O-])c3nonc32)[C@@H](C)C1 ZINC000286199195 356233536 /nfs/dbraw/zinc/23/35/36/356233536.db2.gz BPDLPFPGYJIYKK-VIFPVBQESA-N 0 3 291.311 1.661 10 5 CDBEHN CCN1CC[C@H](N(C)c2ncc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000273636367 192241572 /nfs/dbraw/zinc/24/15/72/192241572.db2.gz RFMKDAAOHNSZIW-PWSUYJOCSA-N 0 3 279.344 1.551 10 5 CDBEHN COCCCN(CCO)Cc1ccc([N+](=O)[O-])cc1C ZINC000188936763 357954472 /nfs/dbraw/zinc/95/44/72/357954472.db2.gz CVQXGGKNVFLXPU-UHFFFAOYSA-N 0 3 282.340 1.734 10 5 CDBEHN CC1(C)OCC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000294774705 199176703 /nfs/dbraw/zinc/17/67/03/199176703.db2.gz NJVKOTAYBIMWGV-GFCCVEGCSA-N 0 3 293.323 1.690 10 5 CDBEHN COCC[C@H](CO)NCc1ccc([N+](=O)[O-])cc1C ZINC000341559138 358655372 /nfs/dbraw/zinc/65/53/72/358655372.db2.gz OWDQVXZKHUDQOS-GFCCVEGCSA-N 0 3 268.313 1.390 10 5 CDBEHN COc1cc(CN[C@H]2CCCOC2)c([N+](=O)[O-])cc1O ZINC000237238224 364507212 /nfs/dbraw/zinc/50/72/12/364507212.db2.gz BEBBDUTVPVEWHO-JTQLQIEISA-N 0 3 282.296 1.578 10 5 CDBEHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000282303263 375077284 /nfs/dbraw/zinc/07/72/84/375077284.db2.gz JWMNYWXHMKQZCA-KWBADKCTSA-N 0 3 277.324 1.913 10 5 CDBEHN CO[C@@H]1C[C@H](CO)N(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000344716247 375301838 /nfs/dbraw/zinc/30/18/38/375301838.db2.gz OCVPGEJPNDKRHL-ZIAGYGMSSA-N 0 3 280.324 1.219 10 5 CDBEHN CNC(=O)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000517039636 390968069 /nfs/dbraw/zinc/96/80/69/390968069.db2.gz HUWJCUIIONMBBF-LLVKDONJSA-N 0 3 263.297 1.308 10 5 CDBEHN O=[N+]([O-])c1ccc(CN2CC[C@@H](c3nnc[nH]3)C2)cc1 ZINC000425354053 393020602 /nfs/dbraw/zinc/02/06/02/393020602.db2.gz KDELWVVZDJKVIF-LLVKDONJSA-N 0 3 273.296 1.702 10 5 CDBEHN CC1=C[C@@H](C)CN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000430285356 393097798 /nfs/dbraw/zinc/09/77/98/393097798.db2.gz QASQCFLEGRBQGW-SNVBAGLBSA-N 0 3 250.302 1.689 10 5 CDBEHN Cc1cccc(C(=O)N2CCN3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000195309226 140153219 /nfs/dbraw/zinc/15/32/19/140153219.db2.gz XTZGHSQNUBHBCR-GFCCVEGCSA-N 0 3 289.335 1.823 10 5 CDBEHN Cc1c(CNC(=O)C2(N)CCOCC2)cccc1[N+](=O)[O-] ZINC000231855893 140219740 /nfs/dbraw/zinc/21/97/40/140219740.db2.gz GGRRRXAENINAPK-UHFFFAOYSA-N 0 3 293.323 1.027 10 5 CDBEHN COC[C@@](C)(CCO)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000255054000 140335066 /nfs/dbraw/zinc/33/50/66/140335066.db2.gz BBXBMIMHJVTHOE-ZQMJAJRESA-N 0 3 294.351 1.985 10 5 CDBEHN CCN1CCC[C@@H](Nc2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000040503190 174299830 /nfs/dbraw/zinc/29/98/30/174299830.db2.gz AWLNSOWZGSKDBP-SNVBAGLBSA-N 0 3 267.333 1.533 10 5 CDBEHN CO[C@@H]1CN[C@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000040630929 174358433 /nfs/dbraw/zinc/35/84/33/174358433.db2.gz AUVWLDAIVOFVNP-QWRGUYRKSA-N 0 3 279.296 1.219 10 5 CDBEHN N[C@@H](c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000043299925 175000342 /nfs/dbraw/zinc/00/03/42/175000342.db2.gz RTTDVSHBSZKPOP-LDYMZIIASA-N 0 3 270.310 1.029 10 5 CDBEHN O=C(CNC1CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000043474427 175054219 /nfs/dbraw/zinc/05/42/19/175054219.db2.gz IPKYZYGMQCGZGG-UHFFFAOYSA-N 0 3 253.233 1.424 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@@H]2CCN(C3CC3)C2)o1 ZINC000044686255 175232272 /nfs/dbraw/zinc/23/22/72/175232272.db2.gz JYERIRFPSUVPIZ-SECBINFHSA-N 0 3 251.286 1.514 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H](C)N(C)C ZINC000045107721 175308495 /nfs/dbraw/zinc/30/84/95/175308495.db2.gz COHUQNCIJLRWKK-SNVBAGLBSA-N 0 3 267.329 1.643 10 5 CDBEHN CCn1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)C(C)C)n1 ZINC000191682396 227126813 /nfs/dbraw/zinc/12/68/13/227126813.db2.gz DVFTWCBJPGAOKZ-UHFFFAOYSA-N 0 3 297.359 1.223 10 5 CDBEHN C[C@H]1CNCCN1c1nc2cc([N+](=O)[O-])ccc2o1 ZINC000095069578 279908924 /nfs/dbraw/zinc/90/89/24/279908924.db2.gz KJOVFLFKPUBICK-QMMMGPOBSA-N 0 3 262.269 1.534 10 5 CDBEHN C[C@@H]1CN2CCC[C@H]2CN1c1ncccc1[N+](=O)[O-] ZINC000264954699 288314729 /nfs/dbraw/zinc/31/47/29/288314729.db2.gz LXIBTTVWDJBNMP-MNOVXSKESA-N 0 3 262.313 1.663 10 5 CDBEHN CCNC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000061288409 519907697 /nfs/dbraw/zinc/90/76/97/519907697.db2.gz NNJZBKZYGBYAEY-UHFFFAOYSA-N 0 3 251.286 1.921 10 5 CDBEHN CCNCc1ccc(OCCCC(=O)NC)c([N+](=O)[O-])c1 ZINC000068816174 520000148 /nfs/dbraw/zinc/00/01/48/520000148.db2.gz PORIDNLRFDOJEG-UHFFFAOYSA-N 0 3 295.339 1.609 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(O[C@H]2CCC[C@@H]2O)c1 ZINC000050516964 520000851 /nfs/dbraw/zinc/00/08/51/520000851.db2.gz SGQOLYZTOGWLSL-STQMWFEESA-N 0 3 280.324 1.997 10 5 CDBEHN CCCCNC(=O)[C@@H](C)Oc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516491 520651923 /nfs/dbraw/zinc/65/19/23/520651923.db2.gz VNMNMOMMKZSDFH-SNVBAGLBSA-N 0 3 295.339 1.737 10 5 CDBEHN COC[C@@H](O)COc1cc(CNC(C)C)ccc1[N+](=O)[O-] ZINC000069053784 522425325 /nfs/dbraw/zinc/42/53/25/522425325.db2.gz ACHWUPQWWUUTFU-GFCCVEGCSA-N 0 3 298.339 1.479 10 5 CDBEHN CN[C@](C)(C[C@@H](C)Oc1cc(F)ccc1[N+](=O)[O-])C(N)=O ZINC000068651184 522520400 /nfs/dbraw/zinc/52/04/00/522520400.db2.gz BHBDAZQCPRDZHD-AMIZOPFISA-N 0 3 299.302 1.355 10 5 CDBEHN COCCN(C)CCNCc1cc(F)ccc1[N+](=O)[O-] ZINC000061378693 523603895 /nfs/dbraw/zinc/60/38/95/523603895.db2.gz HYDDCHGGYXTJPM-UHFFFAOYSA-N 0 3 285.319 1.402 10 5 CDBEHN C[C@H]1CNC[C@H](C)N1C(=O)c1cc([N+](=O)[O-])cn1C1CC1 ZINC000069133001 524697746 /nfs/dbraw/zinc/69/77/46/524697746.db2.gz AJZKPDLHWCODHA-UWVGGRQHSA-N 0 3 292.339 1.554 10 5 CDBEHN NCc1ccc([N+](=O)[O-])c(O[C@@H]2CCCC[C@H]2O)c1 ZINC000050516335 527259352 /nfs/dbraw/zinc/25/93/52/527259352.db2.gz AODNCRDLSNYDGS-VXGBXAGGSA-N 0 3 266.297 1.736 10 5 CDBEHN Cc1cc(C(F)(F)F)nn1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813106394 617343444 /nfs/dbraw/zinc/34/34/44/617343444.db2.gz CIEXQLYGICCPRQ-ZETCQYMHSA-N 0 3 295.217 1.419 10 5 CDBEHN C/C(=C\c1ccncc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000847714246 617558545 /nfs/dbraw/zinc/55/85/45/617558545.db2.gz OAWAWLROYAALAI-TTZKWOQHSA-N 0 3 250.254 1.693 10 5 CDBEHN CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C(C)(C)C1 ZINC001635809027 1166624329 /nfs/dbraw/zinc/62/43/29/1166624329.db2.gz MNYXWKUKRFWUNV-GFCCVEGCSA-N 0 3 294.355 1.393 10 5 CDBEHN CCOc1ccccc1OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813114853 1163818511 /nfs/dbraw/zinc/81/85/11/1163818511.db2.gz XCICQTGXCXLKRC-JTQLQIEISA-N 0 3 283.280 1.673 10 5 CDBEHN CC(COC(=O)c1ccc(OC(F)F)cn1)[N+](=O)[O-] ZINC000813114882 726020654 /nfs/dbraw/zinc/02/06/54/726020654.db2.gz IJRXTDIULLSKGD-ZCFIWIBFSA-N 0 3 276.195 1.505 10 5 CDBEHN CCc1nc(CC(=O)OCC(C)[N+](=O)[O-])cs1 ZINC000813111370 726012498 /nfs/dbraw/zinc/01/24/98/726012498.db2.gz SATVWPFVJKYEDL-SSDOTTSWSA-N 0 3 258.299 1.456 10 5 CDBEHN Cc1nn(C)c(N[C@@H]2CCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000719622510 726063118 /nfs/dbraw/zinc/06/31/18/726063118.db2.gz FVNFOUKXHGVDGN-DTWKUNHWSA-N 0 3 253.306 1.141 10 5 CDBEHN Cc1ncsc1/C=C/C(=O)OCC(C)[N+](=O)[O-] ZINC000813106133 726125877 /nfs/dbraw/zinc/12/58/77/726125877.db2.gz ZBLVEJTXBVBIAE-KGGZQZJCSA-N 0 3 256.283 1.673 10 5 CDBEHN CC(COC(=O)Cn1ccc2ccccc21)[N+](=O)[O-] ZINC000813114586 726361860 /nfs/dbraw/zinc/36/18/60/726361860.db2.gz DFUUSQAVALOXQJ-SNVBAGLBSA-N 0 3 262.265 1.850 10 5 CDBEHN CC(COC(=O)Cc1ccc([S@@](C)=O)cc1)[N+](=O)[O-] ZINC000813113367 726854814 /nfs/dbraw/zinc/85/48/14/726854814.db2.gz ZNMCOCMHZZMPLC-ZRNGKTOUSA-N 0 3 285.321 1.175 10 5 CDBEHN O=[N+]([O-])c1ccccc1CNC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724666013 726917690 /nfs/dbraw/zinc/91/76/90/726917690.db2.gz RNRLLQMVBTZFGN-BZPMIXESSA-N 0 3 278.308 1.488 10 5 CDBEHN Cc1ncsc1/C=C/C(=O)OCC(C)[N+](=O)[O-] ZINC000813106134 726976816 /nfs/dbraw/zinc/97/68/16/726976816.db2.gz ZBLVEJTXBVBIAE-SDLBARTOSA-N 0 3 256.283 1.673 10 5 CDBEHN C[C@@H](NC[C@@H](O)C1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000930208486 726992632 /nfs/dbraw/zinc/99/26/32/726992632.db2.gz QTFXWDDEPBDJON-ZWNOBZJWSA-N 0 3 280.324 1.521 10 5 CDBEHN CC(COC(=O)C(C)(C)C1CCOCC1)[N+](=O)[O-] ZINC000813110748 727092593 /nfs/dbraw/zinc/09/25/93/727092593.db2.gz IQJZUHYHESOXCG-SECBINFHSA-N 0 3 259.302 1.648 10 5 CDBEHN C[C@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000928454689 727206683 /nfs/dbraw/zinc/20/66/83/727206683.db2.gz CPBXSKXUHOOVIO-CABZTGNLSA-N 0 3 263.297 1.417 10 5 CDBEHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1C1CCOCC1 ZINC000813114143 727369552 /nfs/dbraw/zinc/36/95/52/727369552.db2.gz ZGHUVBVOLXGHTL-SECBINFHSA-N 0 3 297.311 1.365 10 5 CDBEHN CN1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311025170 727409810 /nfs/dbraw/zinc/40/98/10/727409810.db2.gz CZXGLIXVIIYFCE-SNVBAGLBSA-N 0 3 253.277 1.528 10 5 CDBEHN CCn1cc(C(=O)OCC(C)[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000813114115 727891254 /nfs/dbraw/zinc/89/12/54/727891254.db2.gz MJOYJNVOBRUHKL-LURJTMIESA-N 0 3 295.217 1.744 10 5 CDBEHN Cc1nc(CC2CC2)oc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110657 727979623 /nfs/dbraw/zinc/97/96/23/727979623.db2.gz GYZQQZPARAHWRF-ZETCQYMHSA-N 0 3 268.269 1.758 10 5 CDBEHN CC(COC(=O)[C@@H]1Cc2ccc(F)cc21)[N+](=O)[O-] ZINC000813105441 728167873 /nfs/dbraw/zinc/16/78/73/728167873.db2.gz ZKONPRSYWVOJMG-WRWORJQWSA-N 0 3 253.229 1.674 10 5 CDBEHN Cc1ccc(CNC(=O)C(N)C(F)(F)F)cc1[N+](=O)[O-] ZINC000870963397 728200197 /nfs/dbraw/zinc/20/01/97/728200197.db2.gz YWNUSRRNTXYRKA-VIFPVBQESA-N 0 3 291.229 1.409 10 5 CDBEHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CNOC1 ZINC000925871270 728337275 /nfs/dbraw/zinc/33/72/75/728337275.db2.gz RHGNRXLMGYYKSO-QWRGUYRKSA-N 0 3 297.380 1.959 10 5 CDBEHN CN1C[C@H]2CCN(Cc3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590012534 342519945 /nfs/dbraw/zinc/51/99/45/342519945.db2.gz UPAVHLWEUPJUED-QMTHXVAHSA-N 0 3 279.315 1.870 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000590445819 342546639 /nfs/dbraw/zinc/54/66/39/342546639.db2.gz SIQFWMLTARGXDA-RNCFNFMXSA-N 0 3 293.298 1.510 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CCCC[C@@H]2C2(O)CC2)n1 ZINC000590969318 342612178 /nfs/dbraw/zinc/61/21/78/342612178.db2.gz SMUGRGGWBVEBQX-LLVKDONJSA-N 0 3 280.328 1.171 10 5 CDBEHN CN1CCC(Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000618896901 349547359 /nfs/dbraw/zinc/54/73/59/349547359.db2.gz XKMMAQWXBCZQCT-UHFFFAOYSA-N 0 3 280.328 1.175 10 5 CDBEHN Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@@H](CN(C)C)C2)n1 ZINC000611616506 346838276 /nfs/dbraw/zinc/83/82/76/346838276.db2.gz UQDPVKOTGSPOLC-LBPRGKRZSA-N 0 3 294.355 1.373 10 5 CDBEHN NC(=O)[C@H]1C[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000593724336 342828890 /nfs/dbraw/zinc/82/88/90/342828890.db2.gz YHJDNVHNBFEYPQ-WDMOLILDSA-N 0 3 289.335 1.826 10 5 CDBEHN COC[C@H](CCNCc1ccc(OC)c([N+](=O)[O-])c1)OC ZINC000594955632 342982988 /nfs/dbraw/zinc/98/29/88/342982988.db2.gz QJNOMWDDLBDZLG-LBPRGKRZSA-N 0 3 298.339 1.745 10 5 CDBEHN N[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[C@H]1F ZINC000595260933 343014665 /nfs/dbraw/zinc/01/46/65/343014665.db2.gz NVIICSVSZBSLRR-GHMZBOCLSA-N 0 3 285.250 1.245 10 5 CDBEHN NC1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC2(CCC2)C1 ZINC000595255011 343012083 /nfs/dbraw/zinc/01/20/83/343012083.db2.gz RTYVIZKAEYKPFX-UHFFFAOYSA-N 0 3 289.335 1.873 10 5 CDBEHN O=[N+]([O-])c1ccccc1OCCN[C@@H]1C[C@H](O)C12CCC2 ZINC000595778796 343150065 /nfs/dbraw/zinc/15/00/65/343150065.db2.gz VGGFKNFZAPXKNP-KGLIPLIRSA-N 0 3 292.335 1.867 10 5 CDBEHN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)C1O ZINC000595748835 343151656 /nfs/dbraw/zinc/15/16/56/343151656.db2.gz IFGMOBNKMFPOMV-VXGBXAGGSA-N 0 3 294.351 1.922 10 5 CDBEHN Cc1nn(C)c(NC[C@H]2CCN2C(C)(C)C)c1[N+](=O)[O-] ZINC000596306887 343293003 /nfs/dbraw/zinc/29/30/03/343293003.db2.gz JNCRKYGIETWQBD-SNVBAGLBSA-N 0 3 281.360 1.921 10 5 CDBEHN Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCN1C(C)(C)C ZINC000596308860 343294071 /nfs/dbraw/zinc/29/40/71/343294071.db2.gz XAFXCOUXJWMROD-VIFPVBQESA-N 0 3 267.333 1.613 10 5 CDBEHN O=[N+]([O-])c1cnc(N2CCC(N3CC[C@H](O)C3)CC2)s1 ZINC000596537131 343345297 /nfs/dbraw/zinc/34/52/97/343345297.db2.gz BEIHCQBNFOOEEJ-JTQLQIEISA-N 0 3 298.368 1.087 10 5 CDBEHN C[C@H](N[C@H]1CCOC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000599079315 343955952 /nfs/dbraw/zinc/95/59/52/343955952.db2.gz DNINRWUEPFLVMS-TVYUQYBPSA-N 0 3 266.297 1.395 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CC[C@H]3CC[C@@H](C2)S3)n1 ZINC000599553461 344081370 /nfs/dbraw/zinc/08/13/70/344081370.db2.gz VSGBGPDODHMZQO-MNOVXSKESA-N 0 3 282.369 1.761 10 5 CDBEHN CNCc1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000584643298 346387767 /nfs/dbraw/zinc/38/77/67/346387767.db2.gz VQWVKDTXWLMNNR-UHFFFAOYSA-N 0 3 251.286 1.151 10 5 CDBEHN C[C@@H]1CC[C@@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551317 180002609 /nfs/dbraw/zinc/00/26/09/180002609.db2.gz ICRMEBJDCUEBSZ-VXGBXAGGSA-N 0 3 279.340 1.877 10 5 CDBEHN CN(C)C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000105924126 186091178 /nfs/dbraw/zinc/09/11/78/186091178.db2.gz KEOBOJJXMQAIEQ-AWEZNQCLSA-N 0 3 279.340 1.357 10 5 CDBEHN O=[N+]([O-])c1cccc(Cl)c1OC[C@H]1CNCCO1 ZINC000236049773 362964093 /nfs/dbraw/zinc/96/40/93/362964093.db2.gz LHJNUMQDBAMJBY-MRVPVSSYSA-N 0 3 272.688 1.615 10 5 CDBEHN CCN1CCO[C@@H](CNCc2cccc([N+](=O)[O-])c2)C1 ZINC000113266837 350662665 /nfs/dbraw/zinc/66/26/65/350662665.db2.gz NVGCTGYCZVMBPV-AWEZNQCLSA-N 0 3 279.340 1.405 10 5 CDBEHN CCN1CC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000389256836 357325336 /nfs/dbraw/zinc/32/53/36/357325336.db2.gz NWVGVCHAJWFKCL-JTQLQIEISA-N 0 3 255.343 1.840 10 5 CDBEHN CN1CCC([C@H]2C(=O)Nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000167739421 366412358 /nfs/dbraw/zinc/41/23/58/366412358.db2.gz UCQZXTLKDRLPQG-CYBMUJFWSA-N 0 3 275.308 1.972 10 5 CDBEHN CC[C@H]1CN(CC)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000450823867 359010898 /nfs/dbraw/zinc/01/08/98/359010898.db2.gz CMMAVACKZHJTNF-NSHDSACASA-N 0 3 264.329 1.910 10 5 CDBEHN CC(C)N1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000514583559 360202701 /nfs/dbraw/zinc/20/27/01/360202701.db2.gz HFPAVZHGVVXZMY-LBPRGKRZSA-N 0 3 292.339 1.545 10 5 CDBEHN Cc1cnc(Nc2cnn(CCN(C)C)c2)c([N+](=O)[O-])c1 ZINC000301454671 201014489 /nfs/dbraw/zinc/01/44/89/201014489.db2.gz RPEVPSYMKAOWQQ-UHFFFAOYSA-N 0 3 290.327 1.800 10 5 CDBEHN COC[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000181648606 189303091 /nfs/dbraw/zinc/30/30/91/189303091.db2.gz MHBCAHMYJHEDNS-CYBMUJFWSA-N 0 3 290.323 1.769 10 5 CDBEHN O=[N+]([O-])c1ccc2nc(OC[C@@H]3CC[NH2+]C3)[n-]c2c1 ZINC000094772362 366962156 /nfs/dbraw/zinc/96/21/56/366962156.db2.gz WFEXAXCDLUYMAC-MRVPVSSYSA-N 0 3 262.269 1.459 10 5 CDBEHN O=[N+]([O-])c1ccc2[n-]c(OC[C@@H]3CC[NH2+]C3)nc2c1 ZINC000094772362 366962159 /nfs/dbraw/zinc/96/21/59/366962159.db2.gz WFEXAXCDLUYMAC-MRVPVSSYSA-N 0 3 262.269 1.459 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](CO)[C@H]1CCCOC1 ZINC000414561141 241257153 /nfs/dbraw/zinc/25/71/53/241257153.db2.gz RUPIHIWEOXYYBH-DZGCQCFKSA-N 0 3 294.351 1.780 10 5 CDBEHN CC[C@@](C)(O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000123018653 373749600 /nfs/dbraw/zinc/74/96/00/373749600.db2.gz UOASVTVBTSXJCU-OAHLLOKOSA-N 0 3 293.367 1.878 10 5 CDBEHN COc1ccc(CN(C)CCCCO)cc1[N+](=O)[O-] ZINC000263980682 190087502 /nfs/dbraw/zinc/08/75/02/190087502.db2.gz FTTSNQISXDOZQZ-UHFFFAOYSA-N 0 3 268.313 1.808 10 5 CDBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@]2(CNC(=O)C2)C1 ZINC000278746824 194136002 /nfs/dbraw/zinc/13/60/02/194136002.db2.gz AQLPDFWCVYNALO-ABAIWWIYSA-N 0 3 289.335 1.868 10 5 CDBEHN CCOC[C@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266765580 190279057 /nfs/dbraw/zinc/27/90/57/190279057.db2.gz HSZXUECVORAEBA-WDEREUQCSA-N 0 3 268.313 1.643 10 5 CDBEHN CCc1nn(C)c(N2CCN3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000246451500 379563607 /nfs/dbraw/zinc/56/36/07/379563607.db2.gz NSEJDOODFTYADM-JTQLQIEISA-N 0 3 279.344 1.175 10 5 CDBEHN C[C@H]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000532398124 393073202 /nfs/dbraw/zinc/07/32/02/393073202.db2.gz RCKGQUSMNNNTKG-JTQLQIEISA-N 0 3 278.312 1.061 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000195338921 140153625 /nfs/dbraw/zinc/15/36/25/140153625.db2.gz BRCTWVHMYXTYNR-CYBMUJFWSA-N 0 3 289.335 1.823 10 5 CDBEHN CO[C@@]1(CNCc2ccc([N+](=O)[O-])cc2C)CCOC1 ZINC000359656306 158325899 /nfs/dbraw/zinc/32/58/99/158325899.db2.gz WTGPCMLXCXZKNW-CQSZACIVSA-N 0 3 280.324 1.798 10 5 CDBEHN Cc1cccc(C(=O)N2CC[C@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000170856351 292421282 /nfs/dbraw/zinc/42/12/82/292421282.db2.gz DWXXSMJRSHXVKQ-NSHDSACASA-N 0 3 277.324 1.679 10 5 CDBEHN CC(C)[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000043474443 175054071 /nfs/dbraw/zinc/05/40/71/175054071.db2.gz VPLLUKYOFYRWRA-JTQLQIEISA-N 0 3 255.249 1.656 10 5 CDBEHN O=C1[C@H](NC2CC2)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000071042399 176028623 /nfs/dbraw/zinc/02/86/23/176028623.db2.gz RFOQUMWZZVGULF-CYBMUJFWSA-N 0 3 275.308 1.448 10 5 CDBEHN CC(C)NCc1ccc([N+](=O)[O-])c(OCCO)c1 ZINC000050517153 519727252 /nfs/dbraw/zinc/72/72/52/519727252.db2.gz VVUBMXMKGAXHRF-UHFFFAOYSA-N 0 3 254.286 1.464 10 5 CDBEHN CCNCc1cc([N+](=O)[O-])ccc1OCc1nonc1C ZINC000070261334 519993570 /nfs/dbraw/zinc/99/35/70/519993570.db2.gz SHLWCDSFNZVLOX-UHFFFAOYSA-N 0 3 292.295 1.975 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(O[C@H](C)C(=O)NCC)c1 ZINC000050517002 520001798 /nfs/dbraw/zinc/00/17/98/520001798.db2.gz CUWVVYGFGHTIRI-SNVBAGLBSA-N 0 3 295.339 1.608 10 5 CDBEHN CN(C)C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000061656018 521835291 /nfs/dbraw/zinc/83/52/91/521835291.db2.gz LEBQSVRGGUESRJ-NSHDSACASA-N 0 3 292.339 1.343 10 5 CDBEHN CN(C)C[C@@H]1CCCN1CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000061645773 521835901 /nfs/dbraw/zinc/83/59/01/521835901.db2.gz ONOPBAUSPUIJHP-JTQLQIEISA-N 0 3 280.328 1.132 10 5 CDBEHN COc1cc(CN)c([N+](=O)[O-])cc1OCCn1cccn1 ZINC000049313747 522361309 /nfs/dbraw/zinc/36/13/09/522361309.db2.gz RDTHZTAUDOFHTJ-UHFFFAOYSA-N 0 3 292.295 1.338 10 5 CDBEHN CN[C@](C)(C[C@H](C)Oc1ccc([N+](=O)[O-])cc1F)C(N)=O ZINC000068651458 522523554 /nfs/dbraw/zinc/52/35/54/522523554.db2.gz OFYOSEKUGUMSPG-ISVAXAHUSA-N 0 3 299.302 1.355 10 5 CDBEHN COC[C@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000062727296 522782337 /nfs/dbraw/zinc/78/23/37/522782337.db2.gz ODLRZMLEOFPSQV-GFCCVEGCSA-N 0 3 268.313 1.076 10 5 CDBEHN CN1CCC(NC(=O)c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000050701735 523775254 /nfs/dbraw/zinc/77/52/54/523775254.db2.gz XHIJMGNHQSHSCC-UHFFFAOYSA-N 0 3 278.312 1.001 10 5 CDBEHN CN1CCCC(C)(C)[C@@H]1CNc1ccncc1[N+](=O)[O-] ZINC000340864145 523789022 /nfs/dbraw/zinc/78/90/22/523789022.db2.gz WVAFFXNCJBRMKI-ZDUSSCGKSA-N 0 3 278.356 1.944 10 5 CDBEHN NCc1cnn(Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000054716816 527263437 /nfs/dbraw/zinc/26/34/37/527263437.db2.gz BDMOCAWCFFYIEZ-UHFFFAOYSA-N 0 3 266.688 1.952 10 5 CDBEHN Nc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCCCC2)c1 ZINC000050707965 527501836 /nfs/dbraw/zinc/50/18/36/527501836.db2.gz YXTVRIOZUQFGRG-UHFFFAOYSA-N 0 3 292.339 1.393 10 5 CDBEHN C[C@H](NC[C@@H](O)c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000927137575 621795782 /nfs/dbraw/zinc/79/57/82/621795782.db2.gz QSTUKORWCUYTQQ-IINYFYTJSA-N 0 3 290.323 1.713 10 5 CDBEHN Cc1cncc(/C=C\C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112190 1163816254 /nfs/dbraw/zinc/81/62/54/1163816254.db2.gz NKUSHPVZVJKMNR-UMBAGQNISA-N 0 3 250.254 1.612 10 5 CDBEHN O=[N+]([O-])c1cc(Cl)ccc1N1CC(N[C@@H]2CCOC2)C1 ZINC001652275279 1171417500 /nfs/dbraw/zinc/41/75/00/1171417500.db2.gz POTUGVJTPBDGBR-SNVBAGLBSA-N 0 3 297.742 1.815 10 5 CDBEHN CC(COC(=O)[C@@H]1COc2ccccc21)[N+](=O)[O-] ZINC000813107751 1163814547 /nfs/dbraw/zinc/81/45/47/1163814547.db2.gz VTFFXKLNHUSMLG-WCBMZHEXSA-N 0 3 251.238 1.371 10 5 CDBEHN COC(=O)Cc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813104505 728898263 /nfs/dbraw/zinc/89/82/63/728898263.db2.gz NMEHVEFSLWANMR-SECBINFHSA-N 0 3 281.264 1.224 10 5 CDBEHN C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2F)CCN1C ZINC000719367269 729389991 /nfs/dbraw/zinc/38/99/91/729389991.db2.gz BZOSOINCMMKIDC-YUMQZZPRSA-N 0 3 268.292 1.821 10 5 CDBEHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000923278598 728941344 /nfs/dbraw/zinc/94/13/44/728941344.db2.gz WIRHGLZSBPVBLL-CMPLNLGQSA-N 0 3 290.323 1.299 10 5 CDBEHN O=[N+]([O-])c1ccc(Cl)cc1OC[C@H]1CNCCO1 ZINC000080745246 729050116 /nfs/dbraw/zinc/05/01/16/729050116.db2.gz BSHXRIUETQGYFI-SECBINFHSA-N 0 3 272.688 1.615 10 5 CDBEHN C/C(=C\c1ccncc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000847714244 728446073 /nfs/dbraw/zinc/44/60/73/728446073.db2.gz OAWAWLROYAALAI-PCYYEKQGSA-N 0 3 250.254 1.693 10 5 CDBEHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCN(C)[C@H]1C ZINC000719625817 728447277 /nfs/dbraw/zinc/44/72/77/728447277.db2.gz PTSBOBQHYQCHPY-UWVGGRQHSA-N 0 3 267.333 1.624 10 5 CDBEHN COc1cccc2c1[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2 ZINC000816091215 728448078 /nfs/dbraw/zinc/44/80/78/728448078.db2.gz OKNMSCZZYDUDAX-GXSJLCMTSA-N 0 3 279.292 1.933 10 5 CDBEHN CN1C[C@@H](CCNCc2csc([N+](=O)[O-])c2)CC1=O ZINC000723594835 728520713 /nfs/dbraw/zinc/52/07/13/728520713.db2.gz RAWXOBGCDNFPQC-VIFPVBQESA-N 0 3 283.353 1.614 10 5 CDBEHN CC(COC(=O)[C@H]1CCCN1c1nccs1)[N+](=O)[O-] ZINC000813112537 728577771 /nfs/dbraw/zinc/57/77/71/728577771.db2.gz HYTOPJFEZVHVKO-DTWKUNHWSA-N 0 3 285.325 1.320 10 5 CDBEHN CC(COC(=O)CCc1cccc(N(C)C)c1)[N+](=O)[O-] ZINC000813112842 728581683 /nfs/dbraw/zinc/58/16/83/728581683.db2.gz USYXTKAJJPLPFK-NSHDSACASA-N 0 3 280.324 1.894 10 5 CDBEHN O=[N+]([O-])c1ccc(NC[C@H]2CN3CCC[C@H]3CO2)cn1 ZINC000252662158 729035379 /nfs/dbraw/zinc/03/53/79/729035379.db2.gz VKWUMSISFIHJLK-RYUDHWBXSA-N 0 3 278.312 1.265 10 5 CDBEHN COC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1F ZINC000813108047 729348567 /nfs/dbraw/zinc/34/85/67/729348567.db2.gz UNBLROMIQQXWBU-SSDOTTSWSA-N 0 3 285.227 1.434 10 5 CDBEHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])nn1C(C)(C)C ZINC000813111177 729355652 /nfs/dbraw/zinc/35/56/52/729355652.db2.gz PUQLHZNUQMVNRR-SECBINFHSA-N 0 3 269.301 1.769 10 5 CDBEHN CC(COC(=O)c1ccnc(N2CC[C@@H](C)C2)c1)[N+](=O)[O-] ZINC000813107997 729579077 /nfs/dbraw/zinc/57/90/77/729579077.db2.gz SSLLIYZHIAYGRL-MNOVXSKESA-N 0 3 293.323 1.750 10 5 CDBEHN CC(COC(=O)CCOCC(F)(F)C(F)F)[N+](=O)[O-] ZINC000813114879 729579786 /nfs/dbraw/zinc/57/97/86/729579786.db2.gz IJMQFVBIGLBQRZ-LURJTMIESA-N 0 3 291.197 1.502 10 5 CDBEHN CC(COC(=O)[C@@H](C)N1CCc2ccccc2C1)[N+](=O)[O-] ZINC000813105007 729840628 /nfs/dbraw/zinc/84/06/28/729840628.db2.gz JCIBNSKLSKTMTO-NWDGAFQWSA-N 0 3 292.335 1.642 10 5 CDBEHN O=[N+]([O-])c1ccc(Cl)c(CN2CCOC3(CNC3)C2)c1 ZINC000853248334 729977410 /nfs/dbraw/zinc/97/74/10/729977410.db2.gz DFTNMQHPPJUMNV-UHFFFAOYSA-N 0 3 297.742 1.422 10 5 CDBEHN COc1cc2c(cc1C(=O)OCC(C)[N+](=O)[O-])OCO2 ZINC000813100182 729978168 /nfs/dbraw/zinc/97/81/68/729978168.db2.gz OTOQJBWIRKGWIJ-ZETCQYMHSA-N 0 3 283.236 1.246 10 5 CDBEHN CC(C)Oc1ccc(C(=O)OCC(C)[N+](=O)[O-])nc1 ZINC000813105737 730360336 /nfs/dbraw/zinc/36/03/36/730360336.db2.gz SWZKBHXGRBPNHT-SECBINFHSA-N 0 3 268.269 1.691 10 5 CDBEHN Cc1nc(CCCC(=O)OCC(C)[N+](=O)[O-])cs1 ZINC000813107672 730406617 /nfs/dbraw/zinc/40/66/17/730406617.db2.gz QFMDTAVBPMKRGI-MRVPVSSYSA-N 0 3 272.326 1.983 10 5 CDBEHN Cc1cc([N+](=O)[O-])cc(C(=O)NCCN2CC[C@@H](C)C2)n1 ZINC001566011126 1168214293 /nfs/dbraw/zinc/21/42/93/1168214293.db2.gz QCUDJWPQNXPXPE-SNVBAGLBSA-N 0 3 292.339 1.370 10 5 CDBEHN CCN1CC[C@H]1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000712551355 909582094 /nfs/dbraw/zinc/58/20/94/909582094.db2.gz YKLXHKJUIQXMIK-JTQLQIEISA-N 0 3 275.312 1.977 10 5 CDBEHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)C(C)(C)O ZINC001473465791 970798471 /nfs/dbraw/zinc/79/84/71/970798471.db2.gz WBYMQHLWKLSGBT-ZDUSSCGKSA-N 0 3 282.340 1.201 10 5 CDBEHN Cc1c(C(=O)N[C@@H](CN)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000401745130 342659255 /nfs/dbraw/zinc/65/92/55/342659255.db2.gz ULRZYYQPFWXTLF-VIFPVBQESA-N 0 3 291.229 1.523 10 5 CDBEHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1CNCCO1 ZINC000126779035 342204887 /nfs/dbraw/zinc/20/48/87/342204887.db2.gz ILWRVYYMSJHUHY-ZDUSSCGKSA-N 0 3 279.340 1.058 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000593716861 342828336 /nfs/dbraw/zinc/82/83/36/342828336.db2.gz KSIMADFMWZSOFR-MXWKQRLJSA-N 0 3 277.324 1.818 10 5 CDBEHN O=C(NC[C@@H]1CCN1C1CCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000600472675 342215420 /nfs/dbraw/zinc/21/54/20/342215420.db2.gz OEORJCMNMYWDLN-JTQLQIEISA-N 0 3 293.327 1.065 10 5 CDBEHN O=C(NC[C@@H]1CCN1C1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000600472675 342215421 /nfs/dbraw/zinc/21/54/21/342215421.db2.gz OEORJCMNMYWDLN-JTQLQIEISA-N 0 3 293.327 1.065 10 5 CDBEHN CO[C@](C)(CO)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000594510137 342912544 /nfs/dbraw/zinc/91/25/44/342912544.db2.gz HVFVFQLSGLAXDT-GJZGRUSLSA-N 0 3 294.351 1.959 10 5 CDBEHN CO[C@@](C)(CO)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000594510771 342912689 /nfs/dbraw/zinc/91/26/89/342912689.db2.gz KNALRIIWKAIPIK-BXUZGUMPSA-N 0 3 282.340 1.951 10 5 CDBEHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCNC1=O ZINC000595054261 343000086 /nfs/dbraw/zinc/00/00/86/343000086.db2.gz OPLHCYAUNWDGHZ-PWSUYJOCSA-N 0 3 277.324 1.394 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1CN[C@@H](CO)C1CCC1 ZINC000595615039 343109445 /nfs/dbraw/zinc/10/94/45/343109445.db2.gz FTWOPKYZNNUZJN-ZDUSSCGKSA-N 0 3 280.324 1.854 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1COCCN1C ZINC000599079734 343956565 /nfs/dbraw/zinc/95/65/65/343956565.db2.gz NJLATCADRXJTSO-TZMCWYRMSA-N 0 3 293.367 1.884 10 5 CDBEHN CC(C)CN1CCC[C@@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000120517983 362372855 /nfs/dbraw/zinc/37/28/55/362372855.db2.gz SZAZZQCNLVUQMR-SNVBAGLBSA-N 0 3 295.343 1.168 10 5 CDBEHN CCN1CC[C@H]2OCCN(c3ncccc3[N+](=O)[O-])[C@H]2C1 ZINC000292916711 362519799 /nfs/dbraw/zinc/51/97/99/362519799.db2.gz XXSVUAVUDNIYLE-QWHCGFSZSA-N 0 3 292.339 1.289 10 5 CDBEHN O=[N+]([O-])c1ccccc1CNCC[C@@]1(O)CCOC1 ZINC000404178947 346681157 /nfs/dbraw/zinc/68/11/57/346681157.db2.gz WDULJRVPJCWFQA-CYBMUJFWSA-N 0 3 266.297 1.226 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404185579 346685312 /nfs/dbraw/zinc/68/53/12/346685312.db2.gz JIAOZASPRQCZKN-OCCSQVGLSA-N 0 3 277.324 1.158 10 5 CDBEHN C[C@@H](NCC1(O)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000091957518 180292669 /nfs/dbraw/zinc/29/26/69/180292669.db2.gz QFKJBDVHQQREEK-LLVKDONJSA-N 0 3 280.324 1.787 10 5 CDBEHN O=C(NCc1ccc2c(c1)CNC2)c1ccc([N+](=O)[O-])o1 ZINC000134525442 356331660 /nfs/dbraw/zinc/33/16/60/356331660.db2.gz AIMSYBVMGZVZAO-UHFFFAOYSA-N 0 3 287.275 1.721 10 5 CDBEHN COc1cc(C[NH2+]CCc2cn[nH]c2)c([N+](=O)[O-])cc1[O-] ZINC000289725724 360711681 /nfs/dbraw/zinc/71/16/81/360711681.db2.gz FXLMGSMOLZZXMK-UHFFFAOYSA-N 0 3 292.295 1.364 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(CC(N)=O)CC1 ZINC000183272910 189352629 /nfs/dbraw/zinc/35/26/29/189352629.db2.gz JIBSRJBEJBVGHW-UHFFFAOYSA-N 0 3 291.351 1.991 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@]1(O)CCSC1 ZINC000183539749 189361716 /nfs/dbraw/zinc/36/17/16/189361716.db2.gz QROLOOLJWMOJDN-ZDUSSCGKSA-N 0 3 282.365 1.861 10 5 CDBEHN O=[N+]([O-])c1cnccc1NCCN1CCCCC1 ZINC000049575284 364094815 /nfs/dbraw/zinc/09/48/15/364094815.db2.gz KJFYDTPVMODUAU-UHFFFAOYSA-N 0 3 250.302 1.888 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170863824 369979827 /nfs/dbraw/zinc/97/98/27/369979827.db2.gz OSEUBLNRKLKRQU-GFCCVEGCSA-N 0 3 277.324 1.679 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@](C)(C(N)=O)C1 ZINC000280255985 374988761 /nfs/dbraw/zinc/98/87/61/374988761.db2.gz LNNQJRHHKDBRBJ-CQSZACIVSA-N 0 3 277.324 1.601 10 5 CDBEHN O=[N+]([O-])c1ccc(F)cc1NC[C@@H](O)CN1CCCCC1 ZINC000302794085 375252221 /nfs/dbraw/zinc/25/22/21/375252221.db2.gz HZWWDGFEZOPZMV-GFCCVEGCSA-N 0 3 297.330 1.993 10 5 CDBEHN COCCN(C)CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000227651084 375586197 /nfs/dbraw/zinc/58/61/97/375586197.db2.gz IKUBFROJDVWLES-UHFFFAOYSA-N 0 3 288.735 1.633 10 5 CDBEHN CC(=O)c1cc(N2CC[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000228260166 375729456 /nfs/dbraw/zinc/72/94/56/375729456.db2.gz YNWFIBYLXSTUPO-GFCCVEGCSA-N 0 3 277.324 1.938 10 5 CDBEHN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN2CCC[C@@H]2C1 ZINC000193724261 375895733 /nfs/dbraw/zinc/89/57/33/375895733.db2.gz NJEQRDWAYABCGU-CYBMUJFWSA-N 0 3 290.323 1.907 10 5 CDBEHN Cc1c(CN2C[C@@H](C(N)=O)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000069581021 378333878 /nfs/dbraw/zinc/33/38/78/378333878.db2.gz GNVYTMPRYUWXIM-GWCFXTLKSA-N 0 3 291.351 1.989 10 5 CDBEHN CN(C)C[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000108951654 390625195 /nfs/dbraw/zinc/62/51/95/390625195.db2.gz CMOYFGUTQPSJBO-SNVBAGLBSA-N 0 3 283.303 1.501 10 5 CDBEHN C[C@H]1CC(C)(C)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000412038890 391065220 /nfs/dbraw/zinc/06/52/20/391065220.db2.gz JDUBYGAKZDQEEL-NSHDSACASA-N 0 3 279.340 1.877 10 5 CDBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000113233727 392869031 /nfs/dbraw/zinc/86/90/31/392869031.db2.gz RGRGAYRDIBSPSE-VHSXEESVSA-N 0 3 279.296 1.497 10 5 CDBEHN CNC(=O)[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000420974989 392924082 /nfs/dbraw/zinc/92/40/82/392924082.db2.gz NKJLEJDIJHMTTO-LLVKDONJSA-N 0 3 293.323 1.042 10 5 CDBEHN CCCC(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001663790939 1172764757 /nfs/dbraw/zinc/76/47/57/1172764757.db2.gz UOPNFHSOYAMXFV-UHFFFAOYSA-N 0 3 279.340 1.943 10 5 CDBEHN C[C@@H](NCCCC(=O)NC(N)=O)c1ccccc1[N+](=O)[O-] ZINC000271813112 287021846 /nfs/dbraw/zinc/02/18/46/287021846.db2.gz YQQQXEVWXHESSL-SECBINFHSA-N 0 3 294.311 1.221 10 5 CDBEHN C[C@H](N[C@@H]1CCC(=O)N(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284311401 196027168 /nfs/dbraw/zinc/02/71/68/196027168.db2.gz ZGZFQXMUCPJXND-GXSJLCMTSA-N 0 3 292.339 1.448 10 5 CDBEHN CCNCc1ccc(O[C@@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC000043641272 175084840 /nfs/dbraw/zinc/08/48/40/175084840.db2.gz QDFMZYACOWUREY-VIFPVBQESA-N 0 3 282.296 1.645 10 5 CDBEHN CN[C@H]1CCN(c2ccc(F)c([N+](=O)[O-])c2)C1=O ZINC000071039931 176027275 /nfs/dbraw/zinc/02/72/75/176027275.db2.gz RAZGDLQTPFQHAZ-VIFPVBQESA-N 0 3 253.233 1.059 10 5 CDBEHN CC(C)Oc1nc(NC[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000564471278 293363234 /nfs/dbraw/zinc/36/32/34/293363234.db2.gz VUMYEVNECPRSJH-NSHDSACASA-N 0 3 294.355 1.705 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(N2CCO[C@H](CN(C)C)C2)n1 ZINC000124919857 301854321 /nfs/dbraw/zinc/85/43/21/301854321.db2.gz ZXZQCKMDXULHOZ-LLVKDONJSA-N 0 3 280.328 1.065 10 5 CDBEHN CC(C)(C)CCCN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001692192419 1159114856 /nfs/dbraw/zinc/11/48/56/1159114856.db2.gz AHVXSRMYUOAPAW-VXGBXAGGSA-N 0 3 283.372 1.278 10 5 CDBEHN CCN[C@H](COc1c(C)cc(C)cc1[N+](=O)[O-])C(N)=O ZINC000050442057 520199353 /nfs/dbraw/zinc/19/93/53/520199353.db2.gz AUFRTZOECQWQBY-SNVBAGLBSA-N 0 3 281.312 1.054 10 5 CDBEHN CN(CCO)CCN(C)c1c(F)cccc1[N+](=O)[O-] ZINC000691353343 1161433359 /nfs/dbraw/zinc/43/33/59/1161433359.db2.gz SRPTXHBXPOIJDV-UHFFFAOYSA-N 0 3 271.292 1.094 10 5 CDBEHN CCCN(CCO)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050815794 521666515 /nfs/dbraw/zinc/66/65/15/521666515.db2.gz SXJYXQJMRJSKJI-UHFFFAOYSA-N 0 3 267.329 1.841 10 5 CDBEHN CC(C)CN1CCN(Cc2cc([N+](=O)[O-])ccc2N)CC1 ZINC000055081517 519727061 /nfs/dbraw/zinc/72/70/61/519727061.db2.gz OHRSEYFTHNJNED-UHFFFAOYSA-N 0 3 292.383 1.951 10 5 CDBEHN CCN[C@](C)(C[C@@H](C)Oc1ccccc1[N+](=O)[O-])C(N)=O ZINC000068650946 520238847 /nfs/dbraw/zinc/23/88/47/520238847.db2.gz RHOLRTDNIARAKO-QMTHXVAHSA-N 0 3 295.339 1.606 10 5 CDBEHN CN(C)C[C@H]1CCCN1CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000061645771 521865605 /nfs/dbraw/zinc/86/56/05/521865605.db2.gz KHJCNIGPMHXLCB-CQSZACIVSA-N 0 3 291.351 1.804 10 5 CDBEHN CN(C(=O)CNCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000049305234 523826485 /nfs/dbraw/zinc/82/64/85/523826485.db2.gz FWKTZODXXGVOSS-UHFFFAOYSA-N 0 3 277.324 1.348 10 5 CDBEHN Cc1noc(COc2cc(CN)ccc2[N+](=O)[O-])n1 ZINC000050516189 526626360 /nfs/dbraw/zinc/62/63/60/526626360.db2.gz RGKOMXGTHVRWLS-UHFFFAOYSA-N 0 3 264.241 1.324 10 5 CDBEHN CN1CC[C@H](NCC[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000930519333 617423139 /nfs/dbraw/zinc/42/31/39/617423139.db2.gz RVWSMNKNYIXPSQ-STQMWFEESA-N 0 3 283.759 1.952 10 5 CDBEHN O=[N+]([O-])c1ccc(-c2cnc([C@H]3CCCN3)nc2)cn1 ZINC000906171269 627141899 /nfs/dbraw/zinc/14/18/99/627141899.db2.gz RNGRMUNAMFVRLN-LLVKDONJSA-N 0 3 271.280 1.871 10 5 CDBEHN Nc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCCCC1 ZINC001595801389 1174217937 /nfs/dbraw/zinc/21/79/37/1174217937.db2.gz ULIICLNLZXYCIY-UHFFFAOYSA-N 0 3 292.339 1.393 10 5 CDBEHN Cc1nn(C(C)(C)C)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813115648 1163817953 /nfs/dbraw/zinc/81/79/53/1163817953.db2.gz WYEWFYLPHRIKRB-QMMMGPOBSA-N 0 3 269.301 1.769 10 5 CDBEHN Cc1nc(Cl)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107921 730453998 /nfs/dbraw/zinc/45/39/98/730453998.db2.gz RRSJTOQZJFJRAK-LURJTMIESA-N 0 3 258.661 1.865 10 5 CDBEHN CC(COC(=O)[C@H](C)OC[C@H]1CCCCO1)[N+](=O)[O-] ZINC000813102205 730648367 /nfs/dbraw/zinc/64/83/67/730648367.db2.gz PGCZCFOCUCOKAC-OUAUKWLOSA-N 0 3 275.301 1.169 10 5 CDBEHN CCc1ccccc1OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813112271 730762015 /nfs/dbraw/zinc/76/20/15/730762015.db2.gz FDDGTRALJHDCRG-JTQLQIEISA-N 0 3 267.281 1.836 10 5 CDBEHN COc1cc(C)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813105666 730884043 /nfs/dbraw/zinc/88/40/43/730884043.db2.gz RJTVNANFFRQHAA-SECBINFHSA-N 0 3 253.254 1.826 10 5 CDBEHN CC(COC(=O)COCc1ccccc1)[N+](=O)[O-] ZINC000813112668 731038679 /nfs/dbraw/zinc/03/86/79/731038679.db2.gz SMOXJMPVEDZQLL-SNVBAGLBSA-N 0 3 253.254 1.412 10 5 CDBEHN Cc1nn(C)c(N[C@H]2CCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000719622509 731126365 /nfs/dbraw/zinc/12/63/65/731126365.db2.gz FVNFOUKXHGVDGN-BDAKNGLRSA-N 0 3 253.306 1.141 10 5 CDBEHN CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000812879996 731432993 /nfs/dbraw/zinc/43/29/93/731432993.db2.gz YJCHOZNUTRKIPV-UONOGXRCSA-N 0 3 280.324 1.739 10 5 CDBEHN CC(C)c1noc(CCC(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813112461 731565596 /nfs/dbraw/zinc/56/55/96/731565596.db2.gz QEKJALMHFXXZGL-MRVPVSSYSA-N 0 3 271.273 1.334 10 5 CDBEHN COc1cccc(CCC(=O)OCC(C)[N+](=O)[O-])c1F ZINC000813106886 731602638 /nfs/dbraw/zinc/60/26/38/731602638.db2.gz JEPFDHSUUTXKOZ-VIFPVBQESA-N 0 3 285.271 1.975 10 5 CDBEHN CC1(C)[C@H](O)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000812867313 731905279 /nfs/dbraw/zinc/90/52/79/731905279.db2.gz KGKCOZFBBKZZMN-CHWSQXEVSA-N 0 3 280.324 1.473 10 5 CDBEHN CC(COC(=O)c1csc([C@@H]2CCCO2)n1)[N+](=O)[O-] ZINC000813115155 731997761 /nfs/dbraw/zinc/99/77/61/731997761.db2.gz LKVYFHBLTODCPV-CBAPKCEASA-N 0 3 286.309 1.817 10 5 CDBEHN NC(=O)C1CC(NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000716681491 732231474 /nfs/dbraw/zinc/23/14/74/732231474.db2.gz CJDUALBUNZOXBN-UHFFFAOYSA-N 0 3 283.715 1.602 10 5 CDBEHN Cc1nn(C)c(C)c1C[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813114799 732716922 /nfs/dbraw/zinc/71/69/22/732716922.db2.gz GVZHKYOJCVMFTM-IUCAKERBSA-N 0 3 283.328 1.424 10 5 CDBEHN CCN(CCCNC(C)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001566536904 1168322343 /nfs/dbraw/zinc/32/23/43/1168322343.db2.gz AHWACPPUOFTFPB-UHFFFAOYSA-N 0 3 279.340 1.943 10 5 CDBEHN CCCC(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001267339477 897641231 /nfs/dbraw/zinc/64/12/31/897641231.db2.gz AZVWXPWUVYVLLZ-UHFFFAOYSA-N 0 3 279.340 1.943 10 5 CDBEHN CN(C[C@H]1CCCN1C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001142620993 937040150 /nfs/dbraw/zinc/04/01/50/937040150.db2.gz VQLANJVSRHMLKW-LLVKDONJSA-N 0 3 292.339 1.343 10 5 CDBEHN COC(C)(C)[C@H](C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000815586032 930057741 /nfs/dbraw/zinc/05/77/41/930057741.db2.gz XZHXHSAUIJQKKU-JTQLQIEISA-N 0 3 295.339 1.936 10 5 CDBEHN COCCCN(C)CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601118891 342471147 /nfs/dbraw/zinc/47/11/47/342471147.db2.gz JGWIJXRPPXTDSR-UHFFFAOYSA-N 0 3 286.307 1.509 10 5 CDBEHN C[C@@](CO)(NCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000601149607 342482337 /nfs/dbraw/zinc/48/23/37/342482337.db2.gz OSIYAFKTYGITTL-ZDUSSCGKSA-N 0 3 250.298 1.802 10 5 CDBEHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000590043489 342520549 /nfs/dbraw/zinc/52/05/49/342520549.db2.gz AHFAHDHNSLVNOI-ZANVPECISA-N 0 3 293.298 1.510 10 5 CDBEHN Cc1cc(NCC2COC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000599177870 343982231 /nfs/dbraw/zinc/98/22/31/343982231.db2.gz AGXPHCBDZWSXNC-UHFFFAOYSA-N 0 3 273.292 1.932 10 5 CDBEHN COC[C@@H](O)CNCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000096687118 185109762 /nfs/dbraw/zinc/10/97/62/185109762.db2.gz QYVFNECPPDLEHG-VIFPVBQESA-N 0 3 274.704 1.345 10 5 CDBEHN [NH3+]CC[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000593727048 342829711 /nfs/dbraw/zinc/82/97/11/342829711.db2.gz BHCYJNXOHWPOLB-LLVKDONJSA-N 0 3 279.340 1.861 10 5 CDBEHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN2CCC[C@H]2C1 ZINC000588811051 342222011 /nfs/dbraw/zinc/22/20/11/342222011.db2.gz VCJUAXDPTZAHTJ-NSHDSACASA-N 0 3 279.344 1.404 10 5 CDBEHN CO[C@@](C)(CO)CNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000594509659 342914985 /nfs/dbraw/zinc/91/49/85/342914985.db2.gz JZVFRHJIESFLRU-CUXKMMBLSA-N 0 3 294.351 1.985 10 5 CDBEHN Cc1ccc(CNC2CC(CO)C2)cc1[N+](=O)[O-] ZINC000595000624 342995354 /nfs/dbraw/zinc/99/53/54/342995354.db2.gz IRUZDBZVKGIHDJ-UHFFFAOYSA-N 0 3 250.298 1.764 10 5 CDBEHN C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)C1O ZINC000595748864 343151429 /nfs/dbraw/zinc/15/14/29/343151429.db2.gz ITLMATRCVSETMD-RYUDHWBXSA-N 0 3 294.351 1.922 10 5 CDBEHN CN1CCOC[C@@H]1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000599004672 343937704 /nfs/dbraw/zinc/93/77/04/343937704.db2.gz WZDUECXBJDVENK-SDQPKGBYSA-N 0 3 291.351 1.528 10 5 CDBEHN COCCN1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000344422728 362766994 /nfs/dbraw/zinc/76/69/94/362766994.db2.gz RJHJSSYHUFSWJR-NSHDSACASA-N 0 3 266.301 1.122 10 5 CDBEHN C[C@H](CCNCc1ccccc1[N+](=O)[O-])[S@](C)=O ZINC000129344024 362892302 /nfs/dbraw/zinc/89/23/02/362892302.db2.gz KSNRRLMDHLEFQR-MLCYQJTMSA-N 0 3 270.354 1.842 10 5 CDBEHN O=[N+]([O-])c1cccc(CN[C@@H]2CCC[C@@H](O)C2)c1 ZINC000037163591 363531004 /nfs/dbraw/zinc/53/10/04/363531004.db2.gz PMCZAPYCGNIXCP-DGCLKSJQSA-N 0 3 250.298 1.988 10 5 CDBEHN CN1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(N)c3F)[C@@H]2C1 ZINC000425277857 283206377 /nfs/dbraw/zinc/20/63/77/283206377.db2.gz CWYIZBIKICSZIK-JOYOIKCWSA-N 0 3 294.330 1.847 10 5 CDBEHN COCCN(CCNc1nccc(C)c1[N+](=O)[O-])C1CC1 ZINC000072286176 356739821 /nfs/dbraw/zinc/73/98/21/356739821.db2.gz JENNNHHZVXKETL-UHFFFAOYSA-N 0 3 294.355 1.821 10 5 CDBEHN COC[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000181648389 357370504 /nfs/dbraw/zinc/37/05/04/357370504.db2.gz QHPSMXLBMJKFTR-CQSZACIVSA-N 0 3 290.323 1.769 10 5 CDBEHN CCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000112310753 360521411 /nfs/dbraw/zinc/52/14/11/360521411.db2.gz YZKKMFXNCXXLMM-UHFFFAOYSA-N 0 3 294.355 1.760 10 5 CDBEHN COCCN1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000301653726 201119875 /nfs/dbraw/zinc/11/98/75/201119875.db2.gz RFCNNWKOBLDKBF-LBPRGKRZSA-N 0 3 294.355 1.821 10 5 CDBEHN CN(CCCCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000276353802 193297853 /nfs/dbraw/zinc/29/78/53/193297853.db2.gz JCLDDPFXMGJSKC-ZDUSSCGKSA-N 0 3 268.313 1.333 10 5 CDBEHN CN(C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531887585 372816012 /nfs/dbraw/zinc/81/60/12/372816012.db2.gz NUPHPQAUELWMPR-NSHDSACASA-N 0 3 278.312 1.156 10 5 CDBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@](C)(O)CO ZINC000619464238 374043942 /nfs/dbraw/zinc/04/39/42/374043942.db2.gz CTQPUPSDYKJSNT-MUAYPFOZSA-N 0 3 280.324 1.331 10 5 CDBEHN C[C@@H]1CNCCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420165422 374291389 /nfs/dbraw/zinc/29/13/89/374291389.db2.gz HGJZTJKCAACMFZ-MRVPVSSYSA-N 0 3 287.266 1.994 10 5 CDBEHN Nc1ccc([N+](=O)[O-])c(NCCN2CCCC2)c1 ZINC000282240148 375072983 /nfs/dbraw/zinc/07/29/83/375072983.db2.gz PYYBUGBGDXKEOU-UHFFFAOYSA-N 0 3 250.302 1.685 10 5 CDBEHN C[C@@H]1CCC[C@@H](C)N1CCNc1ncc([N+](=O)[O-])cn1 ZINC000354566260 375726475 /nfs/dbraw/zinc/72/64/75/375726475.db2.gz CUDHFEHWPFOJAS-GHMZBOCLSA-N 0 3 279.344 1.482 10 5 CDBEHN CC(=O)c1cc(N2CC[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000228260174 375727985 /nfs/dbraw/zinc/72/79/85/375727985.db2.gz YNWFIBYLXSTUPO-LBPRGKRZSA-N 0 3 277.324 1.938 10 5 CDBEHN O=[N+]([O-])c1cc(F)cc(OC[C@H]2CNCCO2)c1 ZINC000164111816 375821996 /nfs/dbraw/zinc/82/19/96/375821996.db2.gz HWQCFMRQAFSTHV-LLVKDONJSA-N 0 3 256.233 1.101 10 5 CDBEHN COc1cccc(C(=O)N2CC[C@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000192514408 378198701 /nfs/dbraw/zinc/19/87/01/378198701.db2.gz YYSCUHSQTKBYEJ-JTQLQIEISA-N 0 3 293.323 1.380 10 5 CDBEHN O=[N+]([O-])c1ccc(NC[C@@H]2CCCCN2CCO)cn1 ZINC000450619251 251370330 /nfs/dbraw/zinc/37/03/30/251370330.db2.gz URVGFOMOGYHEGY-LBPRGKRZSA-N 0 3 280.328 1.249 10 5 CDBEHN CC(=O)[C@](C)(O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000450679581 251399409 /nfs/dbraw/zinc/39/94/09/251399409.db2.gz WSLTYLNGKAIHSE-TVQRCGJNSA-N 0 3 266.297 1.585 10 5 CDBEHN C[C@@H]1CN(CCCNc2ccc([N+](=O)[O-])nc2)CCCO1 ZINC000432873863 390492375 /nfs/dbraw/zinc/49/23/75/390492375.db2.gz UXBVFUCWKJPYOK-GFCCVEGCSA-N 0 3 294.355 1.903 10 5 CDBEHN CCOc1ccc([N+](=O)[O-])cc1CNCC[C@@H](C)O ZINC000304114035 391091938 /nfs/dbraw/zinc/09/19/38/391091938.db2.gz HHAVLNGEAXCKKD-SNVBAGLBSA-N 0 3 268.313 1.854 10 5 CDBEHN Cc1ncc(CNCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000518818385 391403982 /nfs/dbraw/zinc/40/39/82/391403982.db2.gz AWFLXNMRESYINS-UHFFFAOYSA-N 0 3 288.307 1.862 10 5 CDBEHN O=[N+]([O-])c1ccccc1NC1CCN(CCO)CC1 ZINC000196157698 392206458 /nfs/dbraw/zinc/20/64/58/392206458.db2.gz YMLWPDZHXJKPGG-UHFFFAOYSA-N 0 3 265.313 1.463 10 5 CDBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000113228008 392867878 /nfs/dbraw/zinc/86/78/78/392867878.db2.gz UFOVPGFGYAMVCR-SMDDNHRTSA-N 0 3 289.335 1.904 10 5 CDBEHN C[C@@H]1CC[C@@H](O)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000421000269 392923754 /nfs/dbraw/zinc/92/37/54/392923754.db2.gz AWLZNBIHJGRXEL-VXGBXAGGSA-N 0 3 280.324 1.819 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCCN1C ZINC000421702075 392942931 /nfs/dbraw/zinc/94/29/31/392942931.db2.gz JGJWCJFMDJMLAL-NSHDSACASA-N 0 3 292.339 1.464 10 5 CDBEHN CCN1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532143564 393068125 /nfs/dbraw/zinc/06/81/25/393068125.db2.gz MQOFJHGXQSJOAW-UHFFFAOYSA-N 0 3 292.339 1.546 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)CC(N)=O ZINC000350048496 154313613 /nfs/dbraw/zinc/31/36/13/154313613.db2.gz MSKPCFBJSOEXJN-SECBINFHSA-N 0 3 251.286 1.257 10 5 CDBEHN C[C@@H](Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)N(C)C ZINC000358783774 158024670 /nfs/dbraw/zinc/02/46/70/158024670.db2.gz GBBLGUYIJQIKBG-VIFPVBQESA-N 0 3 292.295 1.362 10 5 CDBEHN C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000273959305 287014672 /nfs/dbraw/zinc/01/46/72/287014672.db2.gz GFQOQABADNHREY-GHMZBOCLSA-N 0 3 295.339 1.164 10 5 CDBEHN CC[C@H](C)[C@H](N)C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000040459123 174269096 /nfs/dbraw/zinc/26/90/96/174269096.db2.gz CYJWFRGQMIAITL-CABZTGNLSA-N 0 3 265.313 1.931 10 5 CDBEHN CCCNCc1cc([N+](=O)[O-])ccc1OCCCO ZINC000043443989 175047740 /nfs/dbraw/zinc/04/77/40/175047740.db2.gz GRQPTAJSADQFKQ-UHFFFAOYSA-N 0 3 268.313 1.856 10 5 CDBEHN C[C@H]1CN2CCC[C@H]2CN1c1ncccc1[N+](=O)[O-] ZINC000264954700 300320353 /nfs/dbraw/zinc/32/03/53/300320353.db2.gz LXIBTTVWDJBNMP-QWRGUYRKSA-N 0 3 262.313 1.663 10 5 CDBEHN CCOc1cc(OC[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000164070220 483025412 /nfs/dbraw/zinc/02/54/12/483025412.db2.gz ONUJKIJXVZQZLQ-NSHDSACASA-N 0 3 282.296 1.361 10 5 CDBEHN CC(C)N(C)C(=O)COc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516590 519590554 /nfs/dbraw/zinc/59/05/54/519590554.db2.gz DCFSCHXHQPHSBI-UHFFFAOYSA-N 0 3 281.312 1.299 10 5 CDBEHN CC(C)[C@H](CN(C)C)Nc1c([N+](=O)[O-])ncn1C ZINC000049218581 519814981 /nfs/dbraw/zinc/81/49/81/519814981.db2.gz JZQZXPRALNYVOI-VIFPVBQESA-N 0 3 255.322 1.326 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(O[C@H](C)C(=O)N(C)C)c1 ZINC000050516998 520002165 /nfs/dbraw/zinc/00/21/65/520002165.db2.gz MAVNWFDYVKGHGL-SNVBAGLBSA-N 0 3 295.339 1.560 10 5 CDBEHN CN[C@@](CSc1ccc([N+](=O)[O-])cc1)(C(N)=O)C1CC1 ZINC000069184485 522432959 /nfs/dbraw/zinc/43/29/59/522432959.db2.gz HHTBIEHVKZAUOR-CYBMUJFWSA-N 0 3 295.364 1.540 10 5 CDBEHN CN[C@](C)(C[C@H](C)Oc1cc(F)ccc1[N+](=O)[O-])C(N)=O ZINC000068651183 522523033 /nfs/dbraw/zinc/52/30/33/522523033.db2.gz BHBDAZQCPRDZHD-ISVAXAHUSA-N 0 3 299.302 1.355 10 5 CDBEHN CN[C@](C)(C[C@H](C)Oc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000068651556 522523922 /nfs/dbraw/zinc/52/39/22/522523922.db2.gz KPFRSJCEIDDLMX-TVQRCGJNSA-N 0 3 281.312 1.216 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1O[C@H](C)C[C@@](C)(N)C(N)=O ZINC000068651336 526085958 /nfs/dbraw/zinc/08/59/58/526085958.db2.gz PSRLWCPSIMCJBR-NOZJJQNGSA-N 0 3 281.312 1.263 10 5 CDBEHN NNc1ccc(Cl)c(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000061639158 527280732 /nfs/dbraw/zinc/28/07/32/527280732.db2.gz JNQRBULYSYQBPZ-UHFFFAOYSA-N 0 3 268.664 1.174 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000262772036 527312344 /nfs/dbraw/zinc/31/23/44/527312344.db2.gz KALZOWBWXSZPQO-SCZZXKLOSA-N 0 3 278.312 1.121 10 5 CDBEHN CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C(C)(C)C1 ZINC001635809833 1166624272 /nfs/dbraw/zinc/62/42/72/1166624272.db2.gz XPIUHLBKKJZIBP-NSHDSACASA-N 0 3 280.328 1.383 10 5 CDBEHN CN(CCO[C@H]1CCOC1)CCc1ccccc1[N+](=O)[O-] ZINC000930440506 735288578 /nfs/dbraw/zinc/28/85/78/735288578.db2.gz NXHDUYJCIGXAPB-AWEZNQCLSA-N 0 3 294.351 1.875 10 5 CDBEHN CC(=O)[C@@H]1C[C@H](CC(=O)OCC(C)[N+](=O)[O-])C1(C)C ZINC000813103359 735372761 /nfs/dbraw/zinc/37/27/61/735372761.db2.gz PGCJLROGCYDFTF-GDPRMGEGSA-N 0 3 271.313 1.836 10 5 CDBEHN CC1(C)[C@@H](O)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000812867319 735725471 /nfs/dbraw/zinc/72/54/71/735725471.db2.gz KGKCOZFBBKZZMN-OLZOCXBDSA-N 0 3 280.324 1.473 10 5 CDBEHN CC(COC(=O)c1ccn(Cc2ccccc2)n1)[N+](=O)[O-] ZINC000813112923 733169570 /nfs/dbraw/zinc/16/95/70/733169570.db2.gz MFKLUEYORNYKQE-NSHDSACASA-N 0 3 289.291 1.753 10 5 CDBEHN CC(=O)N[C@@H](CC(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813112472 733817544 /nfs/dbraw/zinc/81/75/44/733817544.db2.gz QKSQOXFISRTAJN-MFKMUULPSA-N 0 3 294.307 1.462 10 5 CDBEHN CCN1CC[C@@H]1CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000712549680 734372398 /nfs/dbraw/zinc/37/23/98/734372398.db2.gz RDZNLHBUGXYMNS-MRVPVSSYSA-N 0 3 277.284 1.637 10 5 CDBEHN Cc1ccc(CNC[C@@H](O)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000872231966 734388180 /nfs/dbraw/zinc/38/81/80/734388180.db2.gz VJEXGSKBANTZGI-LBPRGKRZSA-N 0 3 282.340 1.515 10 5 CDBEHN C[C@]12COC[C@@H]1CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852533807 734522206 /nfs/dbraw/zinc/52/22/06/734522206.db2.gz DMSRPIRWLNGREJ-CFVMTHIKSA-N 0 3 292.335 1.597 10 5 CDBEHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@@H](O)CO)C2)cc1 ZINC000930637437 734595967 /nfs/dbraw/zinc/59/59/67/734595967.db2.gz LEWCMWXYIZSARJ-TZMCWYRMSA-N 0 3 280.324 1.127 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928438522 734771341 /nfs/dbraw/zinc/77/13/41/734771341.db2.gz FXRODTVRAYXNQI-BXKDBHETSA-N 0 3 293.323 1.426 10 5 CDBEHN CC(COC(=O)C1CCN(CC(F)(F)F)CC1)[N+](=O)[O-] ZINC000813106557 735232614 /nfs/dbraw/zinc/23/26/14/735232614.db2.gz DONCQZRWKRRODQ-MRVPVSSYSA-N 0 3 298.261 1.469 10 5 CDBEHN CCc1nn(C)c(CC)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813105133 735249470 /nfs/dbraw/zinc/24/94/70/735249470.db2.gz WBCVQEWNLYYNQK-VIFPVBQESA-N 0 3 283.328 1.296 10 5 CDBEHN C[C@@H](NCC[S@@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000135465780 930627293 /nfs/dbraw/zinc/62/72/93/930627293.db2.gz BNDWEYQAPJBUIH-XLFHBGCDSA-N 0 3 256.327 1.624 10 5 CDBEHN Cc1c([C@@H](C)NCCOCCCO)cccc1[N+](=O)[O-] ZINC000353957786 948843210 /nfs/dbraw/zinc/84/32/10/948843210.db2.gz RGQHUIFSXNSPNS-GFCCVEGCSA-N 0 3 282.340 1.953 10 5 CDBEHN CN1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001456156619 968874942 /nfs/dbraw/zinc/87/49/42/968874942.db2.gz DIGFGLCERABPIC-CYBMUJFWSA-N 0 3 291.351 1.594 10 5 CDBEHN O=[N+]([O-])c1cc(CN[C@H](CO)[C@H]2CCCOC2)cs1 ZINC001653887084 1171573893 /nfs/dbraw/zinc/57/38/93/1171573893.db2.gz FOUUQVGRHQBELM-WDEREUQCSA-N 0 3 286.353 1.533 10 5 CDBEHN CC[C@H](C)[C@H](NCCOc1ccccc1[N+](=O)[O-])C(N)=O ZINC001655571897 1171707083 /nfs/dbraw/zinc/70/70/83/1171707083.db2.gz DGQCCPBCLFMUSR-GWCFXTLKSA-N 0 3 295.339 1.463 10 5 CDBEHN COc1cc(CN(C)C(C)(C)CO)ccc1[N+](=O)[O-] ZINC000611516446 346807368 /nfs/dbraw/zinc/80/73/68/346807368.db2.gz AYAPUQWRKKDNQR-UHFFFAOYSA-N 0 3 268.313 1.806 10 5 CDBEHN C[C@](CO)(NCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000601149606 342482324 /nfs/dbraw/zinc/48/23/24/342482324.db2.gz OSIYAFKTYGITTL-CYBMUJFWSA-N 0 3 250.298 1.802 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)c3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590045258 342520604 /nfs/dbraw/zinc/52/06/04/342520604.db2.gz OIRXTEVWWJJQIB-PSASIEDQSA-N 0 3 281.337 1.432 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CN)C(F)(F)F)c1 ZINC000401708008 342614381 /nfs/dbraw/zinc/61/43/81/342614381.db2.gz CDDKDBRAQNBNHE-SECBINFHSA-N 0 3 291.229 1.523 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CN)C(F)(F)F ZINC000401718708 342626876 /nfs/dbraw/zinc/62/68/76/342626876.db2.gz IESSBZFLDYTKFV-SECBINFHSA-N 0 3 291.229 1.523 10 5 CDBEHN Cc1cccc(C(=O)N[C@H](CN)C(F)(F)F)c1[N+](=O)[O-] ZINC000401732028 342642885 /nfs/dbraw/zinc/64/28/85/342642885.db2.gz PBKMVXQWULOVTM-MRVPVSSYSA-N 0 3 291.229 1.523 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC(C)(C)CN(C)C ZINC000457204575 365714122 /nfs/dbraw/zinc/71/41/22/365714122.db2.gz JPJYNZFWSAZCMR-UHFFFAOYSA-N 0 3 279.340 1.973 10 5 CDBEHN C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H](C)C1O ZINC000595748834 343151809 /nfs/dbraw/zinc/15/18/09/343151809.db2.gz IFGMOBNKMFPOMV-RYUDHWBXSA-N 0 3 294.351 1.922 10 5 CDBEHN O=[N+]([O-])c1ccccc1OCCN1CC[C@H]2COC[C@H]2C1 ZINC000595827654 343167428 /nfs/dbraw/zinc/16/74/28/343167428.db2.gz CUQRGTLZOHXQKF-QWHCGFSZSA-N 0 3 292.335 1.942 10 5 CDBEHN N[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[C@H]1F ZINC000595946119 343205473 /nfs/dbraw/zinc/20/54/73/343205473.db2.gz AIIZGHRJFFBBQN-MWLCHTKSSA-N 0 3 285.250 1.245 10 5 CDBEHN COCCN1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000080948242 342362021 /nfs/dbraw/zinc/36/20/21/342362021.db2.gz ISUVFFBCSCYQJF-UHFFFAOYSA-N 0 3 297.330 1.892 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1C[C@H](C(N)=O)C1 ZINC000599070298 343948780 /nfs/dbraw/zinc/94/87/80/343948780.db2.gz KSIMADFMWZSOFR-GMTAPVOTSA-N 0 3 277.324 1.818 10 5 CDBEHN O=[N+]([O-])c1cncc(Cl)c1OC[C@H]1CNCCO1 ZINC000302568846 344867940 /nfs/dbraw/zinc/86/79/40/344867940.db2.gz OPBQPMSXEXJUDJ-SSDOTTSWSA-N 0 3 273.676 1.010 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344223496 362557357 /nfs/dbraw/zinc/55/73/57/362557357.db2.gz QMHNJWPGXQDILA-NSHDSACASA-N 0 3 281.287 1.558 10 5 CDBEHN C[C@@H](C(=O)N[C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000617722346 345926998 /nfs/dbraw/zinc/92/69/98/345926998.db2.gz MMOHUUXWYRJESZ-YPMHNXCESA-N 0 3 291.351 1.909 10 5 CDBEHN Cc1c(CC(=O)N[C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000610969996 346558990 /nfs/dbraw/zinc/55/89/90/346558990.db2.gz FCOUVGGZWLNSJC-CYBMUJFWSA-N 0 3 291.351 1.656 10 5 CDBEHN NC(C(=O)NCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000566169315 357428039 /nfs/dbraw/zinc/42/80/39/357428039.db2.gz CJSHVVSDPHIFSI-MRVPVSSYSA-N 0 3 277.202 1.101 10 5 CDBEHN CNC(=O)CCN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000046503388 360076140 /nfs/dbraw/zinc/07/61/40/360076140.db2.gz MLAUUTBKASYULH-SNVBAGLBSA-N 0 3 265.313 1.724 10 5 CDBEHN C[C@@H]1C[C@H](N(C)c2ncccc2[N+](=O)[O-])CCN1C ZINC000266192445 373977421 /nfs/dbraw/zinc/97/74/21/373977421.db2.gz BTWDQHRNJOLUIJ-GHMZBOCLSA-N 0 3 264.329 1.909 10 5 CDBEHN C[C@@H](O)c1ccc(N2CCNCC2)c([N+](=O)[O-])c1 ZINC000079052479 374376123 /nfs/dbraw/zinc/37/61/23/374376123.db2.gz QKSREADBAIDGRA-SECBINFHSA-N 0 3 251.286 1.058 10 5 CDBEHN COc1cc(C(=O)NC[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000171275501 376508935 /nfs/dbraw/zinc/50/89/35/376508935.db2.gz FQWNRFJYLFGSFL-NSHDSACASA-N 0 3 293.323 1.427 10 5 CDBEHN CNC(=O)[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000421387669 392933471 /nfs/dbraw/zinc/93/34/71/392933471.db2.gz PDQPZCWPORDRPD-BPJJOFIESA-N 0 3 289.335 1.676 10 5 CDBEHN Cc1cc(C(=O)N2CCN3CCC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000195338592 140154664 /nfs/dbraw/zinc/15/46/64/140154664.db2.gz KLOQBOFBUAFYKC-ZDUSSCGKSA-N 0 3 289.335 1.823 10 5 CDBEHN COCCNCCNc1cccc(F)c1[N+](=O)[O-] ZINC000215520766 140162477 /nfs/dbraw/zinc/16/24/77/140162477.db2.gz REKKBFYILYSBRW-UHFFFAOYSA-N 0 3 257.265 1.382 10 5 CDBEHN O=[N+]([O-])c1cccc(CN2CC[C@H](CCO)C2)c1 ZINC000227567184 140185515 /nfs/dbraw/zinc/18/55/15/140185515.db2.gz UUIUQMFEEVSROO-LLVKDONJSA-N 0 3 250.298 1.799 10 5 CDBEHN CO[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[C@H]1C ZINC000251653766 140309921 /nfs/dbraw/zinc/30/99/21/140309921.db2.gz HQSZOEQJNVXVCL-ZYHUDNBSSA-N 0 3 268.317 1.148 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000262772042 149112516 /nfs/dbraw/zinc/11/25/16/149112516.db2.gz KALZOWBWXSZPQO-WCBMZHEXSA-N 0 3 278.312 1.121 10 5 CDBEHN O=C(CNC1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000037386725 173169641 /nfs/dbraw/zinc/16/96/41/173169641.db2.gz NWCFNHDWNWAISY-UHFFFAOYSA-N 0 3 269.688 1.939 10 5 CDBEHN CN1CCC[C@H](Nc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000040673453 174371902 /nfs/dbraw/zinc/37/19/02/174371902.db2.gz NQCOJAYXHHXSKM-QMMMGPOBSA-N 0 3 277.284 1.637 10 5 CDBEHN CCN[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300778 175001430 /nfs/dbraw/zinc/00/14/30/175001430.db2.gz WXICUFCKUDVNOF-DGCLKSJQSA-N 0 3 298.364 1.680 10 5 CDBEHN CN1CCCC[C@H]1CNc1cc([N+](=O)[O-])ccn1 ZINC000044563220 175206980 /nfs/dbraw/zinc/20/69/80/175206980.db2.gz BJRPSPJZWRZNHV-NSHDSACASA-N 0 3 250.302 1.886 10 5 CDBEHN COc1cc(CN2CCC[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC000574848226 295063162 /nfs/dbraw/zinc/06/31/62/295063162.db2.gz VTXLCCWLKNVZCF-CQSZACIVSA-N 0 3 280.324 1.950 10 5 CDBEHN CC(C)C[C@@H](CN(C)C)Nc1ncc([N+](=O)[O-])cn1 ZINC000049558085 519776306 /nfs/dbraw/zinc/77/63/06/519776306.db2.gz NUUXZMIJIIOJPY-JTQLQIEISA-N 0 3 267.333 1.773 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(OC[C@@H]2CCCO2)c1 ZINC000050516850 522124944 /nfs/dbraw/zinc/12/49/44/522124944.db2.gz UBGIMZMWQZCCLH-NSHDSACASA-N 0 3 266.297 1.872 10 5 CDBEHN CC(C)CCNC(=O)COc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516282 519656294 /nfs/dbraw/zinc/65/62/94/519656294.db2.gz XCGDANXYMBPIES-UHFFFAOYSA-N 0 3 295.339 1.595 10 5 CDBEHN CC(C)N[C@@H](CCOc1ccc(F)cc1[N+](=O)[O-])C(N)=O ZINC000062595964 519734614 /nfs/dbraw/zinc/73/46/14/519734614.db2.gz BOEGWSSWLFCRTL-JTQLQIEISA-N 0 3 299.302 1.355 10 5 CDBEHN CCNC(C)(C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000061291952 519908346 /nfs/dbraw/zinc/90/83/46/519908346.db2.gz TURZIKNQAINLAN-UHFFFAOYSA-N 0 3 251.286 1.921 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(OCc2nnc(C)n2C)c1 ZINC000050516841 522124665 /nfs/dbraw/zinc/12/46/65/522124665.db2.gz LRBSIQASHRYBIF-UHFFFAOYSA-N 0 3 291.311 1.330 10 5 CDBEHN COCCNCc1ccnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054792555 523956003 /nfs/dbraw/zinc/95/60/03/523956003.db2.gz IMJDHDZDXMZVCQ-UHFFFAOYSA-N 0 3 288.307 1.788 10 5 CDBEHN C[C@@H](CN1CCCC1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000048570564 524589693 /nfs/dbraw/zinc/58/96/93/524589693.db2.gz ZMSAQXDSCFKYDE-JTQLQIEISA-N 0 3 292.339 1.391 10 5 CDBEHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CCN1 ZINC000052783410 525067962 /nfs/dbraw/zinc/06/79/62/525067962.db2.gz IWSIQOATONWKJD-SNVBAGLBSA-N 0 3 272.308 1.941 10 5 CDBEHN CC(COC(=O)COc1ccc(F)cc1)[N+](=O)[O-] ZINC000813105165 617343180 /nfs/dbraw/zinc/34/31/80/617343180.db2.gz WLKOJFBIMIILTB-QMMMGPOBSA-N 0 3 257.217 1.413 10 5 CDBEHN CC[C@@H](CNCc1ccc(OC)c([N+](=O)[O-])c1)C(=O)OC ZINC000895120042 619313555 /nfs/dbraw/zinc/31/35/55/619313555.db2.gz KSEYSPPORPQKNB-NSHDSACASA-N 0 3 296.323 1.892 10 5 CDBEHN COCC(=O)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001715781291 1179806180 /nfs/dbraw/zinc/80/61/80/1179806180.db2.gz RSODINCTQGUZBC-IHWYPQMZSA-N 0 3 293.323 1.003 10 5 CDBEHN CC(COC(=O)c1ccc(OC(F)F)cn1)[N+](=O)[O-] ZINC000813114881 1163817967 /nfs/dbraw/zinc/81/79/67/1163817967.db2.gz IJRXTDIULLSKGD-LURJTMIESA-N 0 3 276.195 1.505 10 5 CDBEHN CC(COC(=O)Cc1ccc([S@](C)=O)cc1)[N+](=O)[O-] ZINC000813113365 738424316 /nfs/dbraw/zinc/42/43/16/738424316.db2.gz ZNMCOCMHZZMPLC-HOGDKLEQSA-N 0 3 285.321 1.175 10 5 CDBEHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(Cl)n1 ZINC000813113772 736450837 /nfs/dbraw/zinc/45/08/37/736450837.db2.gz VKYNMCHLHRUWLI-SSDOTTSWSA-N 0 3 258.661 1.865 10 5 CDBEHN Cc1cccnc1/C=C/C(=O)OCC(C)[N+](=O)[O-] ZINC000813109363 736533938 /nfs/dbraw/zinc/53/39/38/736533938.db2.gz JCLUSZJNWADHSP-PORFMDCZSA-N 0 3 250.254 1.612 10 5 CDBEHN CN1CCC[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000865185599 737925686 /nfs/dbraw/zinc/92/56/86/737925686.db2.gz YNYMKLWYNPJDKD-LLVKDONJSA-N 0 3 295.314 1.487 10 5 CDBEHN CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000812879998 738063023 /nfs/dbraw/zinc/06/30/23/738063023.db2.gz YJCHOZNUTRKIPV-ZIAGYGMSSA-N 0 3 280.324 1.739 10 5 CDBEHN CC(COC(=O)c1coc(C2CCOCC2)n1)[N+](=O)[O-] ZINC000813113249 738838605 /nfs/dbraw/zinc/83/86/05/738838605.db2.gz XZGCOHZYKZQUHP-MRVPVSSYSA-N 0 3 284.268 1.391 10 5 CDBEHN CC(C)c1cc(C(=O)OCC(C)[N+](=O)[O-])n(C)n1 ZINC000813100435 738865880 /nfs/dbraw/zinc/86/58/80/738865880.db2.gz SJFCYVMNXXSXLS-MRVPVSSYSA-N 0 3 255.274 1.366 10 5 CDBEHN CC(C)(F)CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000872216869 737618593 /nfs/dbraw/zinc/61/85/93/737618593.db2.gz HHZQILISIHZXQK-LLVKDONJSA-N 0 3 256.277 1.966 10 5 CDBEHN CN1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001639135514 1166903871 /nfs/dbraw/zinc/90/38/71/1166903871.db2.gz ISFGDGJDAUULBE-CYBMUJFWSA-N 0 3 291.351 1.594 10 5 CDBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C1CC1 ZINC001481198569 899121123 /nfs/dbraw/zinc/12/11/23/899121123.db2.gz BJLTZSVBZJZNGZ-UHFFFAOYSA-N 0 3 277.324 1.553 10 5 CDBEHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](CCO)[C@H](CO)C1 ZINC001198751298 925515800 /nfs/dbraw/zinc/51/58/00/925515800.db2.gz CJRQMTYBVBWIHT-AGIUHOORSA-N 0 3 294.351 1.579 10 5 CDBEHN O=[N+]([O-])c1ccc(Cl)c(CNCC2COC2)c1 ZINC000858297293 928832182 /nfs/dbraw/zinc/83/21/82/928832182.db2.gz DPCXXGCNIIPFCP-UHFFFAOYSA-N 0 3 256.689 1.984 10 5 CDBEHN C[C@@H]1[C@@H](CO)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001653448207 1171545935 /nfs/dbraw/zinc/54/59/35/1171545935.db2.gz AYQHKRIFBNUEQT-MPKXVKKWSA-N 0 3 280.324 1.331 10 5 CDBEHN O=[N+]([O-])c1ccc2[nH]c(N3CC(N4CCCC4)C3)nc2c1 ZINC000601194261 342488619 /nfs/dbraw/zinc/48/86/19/342488619.db2.gz WLSGCBCBBWSOAP-UHFFFAOYSA-N 0 3 287.323 1.756 10 5 CDBEHN O=[N+]([O-])c1ccc(CNCC[C@@H](O)C(F)F)cc1 ZINC000601146942 342481830 /nfs/dbraw/zinc/48/18/30/342481830.db2.gz FIRLQTYHJRJONO-SNVBAGLBSA-N 0 3 260.240 1.701 10 5 CDBEHN Cc1cc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000590441687 342546144 /nfs/dbraw/zinc/54/61/44/342546144.db2.gz DGZDBUNQRCVKAA-GXTWGEPZSA-N 0 3 289.335 1.679 10 5 CDBEHN NC[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(F)(F)F ZINC000401662386 342588633 /nfs/dbraw/zinc/58/86/33/342588633.db2.gz YNXBKPFETVSVAS-YFKPBYRVSA-N 0 3 283.231 1.276 10 5 CDBEHN Cc1c(NC(=O)[C@@H]2CNCCOC2)cccc1[N+](=O)[O-] ZINC000591592473 342636110 /nfs/dbraw/zinc/63/61/10/342636110.db2.gz SVMKCNAAHPYFHW-SNVBAGLBSA-N 0 3 279.296 1.078 10 5 CDBEHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H]1CNCCO1 ZINC000126779283 342204865 /nfs/dbraw/zinc/20/48/65/342204865.db2.gz ILWRVYYMSJHUHY-CYBMUJFWSA-N 0 3 279.340 1.058 10 5 CDBEHN CO[C@](C)(CO)CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000594509042 342914977 /nfs/dbraw/zinc/91/49/77/342914977.db2.gz HIDJMBAGWNBLNP-VSKVDJIOSA-N 0 3 280.324 1.595 10 5 CDBEHN O=[N+]([O-])c1cccc(-c2cnn(C[C@H]3CNCCO3)c2)c1 ZINC000594696490 342943266 /nfs/dbraw/zinc/94/32/66/342943266.db2.gz OSNBQCFTKRTDII-CQSZACIVSA-N 0 3 288.307 1.447 10 5 CDBEHN Cc1nn(C)c(NCCN2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000076776210 342323400 /nfs/dbraw/zinc/32/34/00/342323400.db2.gz GCYMZGCMBKLNNY-JTQLQIEISA-N 0 3 281.360 1.923 10 5 CDBEHN O=[N+]([O-])c1cc(F)ccc1CN[C@@H](CO)C1CCC1 ZINC000595615518 343109601 /nfs/dbraw/zinc/10/96/01/343109601.db2.gz IJZVHDVDIBMPFT-LBPRGKRZSA-N 0 3 268.288 1.985 10 5 CDBEHN N[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[C@H]1F ZINC000595905207 343188556 /nfs/dbraw/zinc/18/85/56/343188556.db2.gz AEMPNRJMMBFVBM-GHMZBOCLSA-N 0 3 253.277 1.466 10 5 CDBEHN COC(=O)c1ccnc(NCC2(N(C)C)CC2)c1[N+](=O)[O-] ZINC000598641730 343854627 /nfs/dbraw/zinc/85/46/27/343854627.db2.gz VTEAOHDZTRQTGA-UHFFFAOYSA-N 0 3 294.311 1.283 10 5 CDBEHN Cc1ccc(CNC[C@H](O)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000598989822 343935352 /nfs/dbraw/zinc/93/53/52/343935352.db2.gz BTVHZLVRFIOVEJ-KBPBESRZSA-N 0 3 280.324 1.533 10 5 CDBEHN O=[N+]([O-])c1ccc(NC[C@@H]2CCN2C2CCCC2)nc1 ZINC000599166753 343973554 /nfs/dbraw/zinc/97/35/54/343973554.db2.gz ZWTRYPBULUACFX-LBPRGKRZSA-N 0 3 276.340 1.841 10 5 CDBEHN [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc([O-])cc1[N+](=O)[O-] ZINC000085359294 179031884 /nfs/dbraw/zinc/03/18/84/179031884.db2.gz FGWCTGMQNWOIJQ-UWVGGRQHSA-N 0 3 279.296 1.756 10 5 CDBEHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000610772456 346404135 /nfs/dbraw/zinc/40/41/35/346404135.db2.gz DOOLKODELODRCU-LLVKDONJSA-N 0 3 290.323 1.204 10 5 CDBEHN CC(C)N1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000344424041 362768019 /nfs/dbraw/zinc/76/80/19/362768019.db2.gz SRUPYRGLZZASHY-LLVKDONJSA-N 0 3 250.302 1.884 10 5 CDBEHN CC[C@H](COC)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123498524 187095638 /nfs/dbraw/zinc/09/56/38/187095638.db2.gz PDTLNUIBRXDRAA-KWCYVHTRSA-N 0 3 298.339 1.004 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@@H]2CCC[C@@H](O)C2)cc1 ZINC000037163599 363531113 /nfs/dbraw/zinc/53/11/13/363531113.db2.gz FLBSGOBGILZAIB-DGCLKSJQSA-N 0 3 250.298 1.988 10 5 CDBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408153162 358202000 /nfs/dbraw/zinc/20/20/00/358202000.db2.gz IVSJSBGHYZTNSO-NXEZZACHSA-N 0 3 278.312 1.232 10 5 CDBEHN CC(=O)[C@@](C)(O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000347795871 359648516 /nfs/dbraw/zinc/64/85/16/359648516.db2.gz XXANLAGJSKYKKV-YGRLFVJLSA-N 0 3 280.324 1.894 10 5 CDBEHN CSCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365520833 364730158 /nfs/dbraw/zinc/73/01/58/364730158.db2.gz ZXZJWBKYLWXRBC-UHFFFAOYSA-N 0 3 270.358 1.791 10 5 CDBEHN C[C@@H](CCNCc1ccc([N+](=O)[O-])cc1)[S@](C)=O ZINC000133733812 139871056 /nfs/dbraw/zinc/87/10/56/139871056.db2.gz RJFSNUHHISHNPA-XTZNXHDOSA-N 0 3 270.354 1.842 10 5 CDBEHN CC1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531878359 374513492 /nfs/dbraw/zinc/51/34/92/374513492.db2.gz KPAFUCQSYKZCFL-UHFFFAOYSA-N 0 3 292.339 1.452 10 5 CDBEHN C[C@@H](CCNCc1cccc([N+](=O)[O-])c1)[S@](C)=O ZINC000129438929 391231969 /nfs/dbraw/zinc/23/19/69/391231969.db2.gz WQOXNQKVANEWEV-XTZNXHDOSA-N 0 3 270.354 1.842 10 5 CDBEHN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000183141210 391253634 /nfs/dbraw/zinc/25/36/34/391253634.db2.gz WAHZMESPCMNFHM-TVQRCGJNSA-N 0 3 293.323 1.351 10 5 CDBEHN O=[N+]([O-])c1ccc(NC[C@H](O)CN2CCCCC2)cc1 ZINC000193949804 392098085 /nfs/dbraw/zinc/09/80/85/392098085.db2.gz HZELKBPYWAKXQR-AWEZNQCLSA-N 0 3 279.340 1.854 10 5 CDBEHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@H]1O ZINC000459580351 392478246 /nfs/dbraw/zinc/47/82/46/392478246.db2.gz AWVNTKYVBBEUFK-CHWSQXEVSA-N 0 3 280.324 1.997 10 5 CDBEHN O=[N+]([O-])c1ccc(CNCC2(CCO)CC2)c(F)c1 ZINC000311841484 149220600 /nfs/dbraw/zinc/22/06/00/149220600.db2.gz GYDWLTLCCYGUOF-UHFFFAOYSA-N 0 3 268.288 1.986 10 5 CDBEHN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCN2CCC[C@@H]2C1 ZINC000038107493 174121688 /nfs/dbraw/zinc/12/16/88/174121688.db2.gz SXAPPFLWYAMKBP-LLVKDONJSA-N 0 3 293.298 1.654 10 5 CDBEHN CCN1CCC[C@@H](NC(=O)c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000040691009 174377303 /nfs/dbraw/zinc/37/73/03/174377303.db2.gz CDPMJNQHOMIZKL-LLVKDONJSA-N 0 3 295.314 1.948 10 5 CDBEHN CC[C@@H](NCCC(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000044988540 175285896 /nfs/dbraw/zinc/28/58/96/175285896.db2.gz FKVXGROHWSIQOE-GFCCVEGCSA-N 0 3 265.313 1.772 10 5 CDBEHN COC[C@@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000071267186 176100690 /nfs/dbraw/zinc/10/06/90/176100690.db2.gz GUUYTTOLTDRZHB-UWVGGRQHSA-N 0 3 254.286 1.253 10 5 CDBEHN CS[C@@H]1CN(c2ccncc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000340754285 278157229 /nfs/dbraw/zinc/15/72/29/278157229.db2.gz OJQAICCYYTTZPR-VXGBXAGGSA-N 0 3 282.369 1.472 10 5 CDBEHN O=[N+]([O-])c1c(F)cccc1NC[C@H](O)CN1CCCCC1 ZINC000174683722 280354078 /nfs/dbraw/zinc/35/40/78/280354078.db2.gz KANFPORKJNSYOY-NSHDSACASA-N 0 3 297.330 1.993 10 5 CDBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000247311601 288312804 /nfs/dbraw/zinc/31/28/04/288312804.db2.gz OCBFAPQUMIKMEC-NEPJUHHUSA-N 0 3 289.335 1.904 10 5 CDBEHN CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531633807 281811938 /nfs/dbraw/zinc/81/19/38/281811938.db2.gz UYLMFNASIQDECT-UHFFFAOYSA-N 0 3 278.312 1.204 10 5 CDBEHN CC(C)N1CCN(Cc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000050813875 519682910 /nfs/dbraw/zinc/68/29/10/519682910.db2.gz JOSASTSGTCUGJZ-UHFFFAOYSA-N 0 3 278.356 1.703 10 5 CDBEHN CCOCCOc1ccc(CNCCOC)cc1[N+](=O)[O-] ZINC000062730723 520040322 /nfs/dbraw/zinc/04/03/22/520040322.db2.gz BDJJDKXNABVBQS-UHFFFAOYSA-N 0 3 298.339 1.746 10 5 CDBEHN CCCN(CCO)Cc1cc([N+](=O)[O-])ccc1N ZINC000050815777 521667356 /nfs/dbraw/zinc/66/73/56/521667356.db2.gz SMKBSQOMRQKROE-UHFFFAOYSA-N 0 3 253.302 1.381 10 5 CDBEHN CC[C@H](O)COc1cc(CNCCOC)ccc1[N+](=O)[O-] ZINC000062733379 522820821 /nfs/dbraw/zinc/82/08/21/522820821.db2.gz SILURGCFYZGPAA-LBPRGKRZSA-N 0 3 298.339 1.481 10 5 CDBEHN C[C@@H]1CNC[C@@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000069132969 525096050 /nfs/dbraw/zinc/09/60/50/525096050.db2.gz BSWXHTDVLFHEOS-GHMZBOCLSA-N 0 3 277.324 1.346 10 5 CDBEHN O=C(Nc1ccncc1[N+](=O)[O-])N1CCN2CCC[C@H]2C1 ZINC000183632329 527458059 /nfs/dbraw/zinc/45/80/59/527458059.db2.gz CGIFAAJQHONKLZ-JTQLQIEISA-N 0 3 291.311 1.302 10 5 CDBEHN CC(COC(=O)[C@H]1CSCCS1)[N+](=O)[O-] ZINC000813113988 617347616 /nfs/dbraw/zinc/34/76/16/617347616.db2.gz KTDCDUQFDLFTGZ-NKWVEPMBSA-N 0 3 251.329 1.043 10 5 CDBEHN O=[N+]([O-])c1ccccc1C[C@H](N[C@H]1CNOC1)C1CC1 ZINC000925870804 617929839 /nfs/dbraw/zinc/92/98/39/617929839.db2.gz JDHBTTDMFKUIEI-STQMWFEESA-N 0 3 277.324 1.409 10 5 CDBEHN COCc1ccccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109322 1163816435 /nfs/dbraw/zinc/81/64/35/1163816435.db2.gz IBHXDIUXUFPYPR-SECBINFHSA-N 0 3 253.254 1.655 10 5 CDBEHN O=[N+]([O-])c1ccc(N2CC(N[C@H]3CCOC3)C2)cc1 ZINC001643236832 1167238275 /nfs/dbraw/zinc/23/82/75/1167238275.db2.gz AUBDCROCXXSWRO-JTQLQIEISA-N 0 3 263.297 1.162 10 5 CDBEHN C[C@H]1C[C@@H](Nc2nn(C)cc2[N+](=O)[O-])CN1C1CC1 ZINC001651638466 1171338799 /nfs/dbraw/zinc/33/87/99/1171338799.db2.gz GHAVVQAYKOOEKR-DTWKUNHWSA-N 0 3 265.317 1.365 10 5 CDBEHN Cc1nc(C2CC2)oc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813114877 739307502 /nfs/dbraw/zinc/30/75/02/739307502.db2.gz IIAYIPMVXYKLHT-LURJTMIESA-N 0 3 254.242 1.682 10 5 CDBEHN CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000812879185 739663018 /nfs/dbraw/zinc/66/30/18/739663018.db2.gz MWLBYJGBTVFJMP-KBPBESRZSA-N 0 3 280.324 1.739 10 5 CDBEHN CN1CC[C@@H](NCC[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000930519326 740067375 /nfs/dbraw/zinc/06/73/75/740067375.db2.gz RVWSMNKNYIXPSQ-CHWSQXEVSA-N 0 3 283.759 1.952 10 5 CDBEHN CC(C)(O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000865999260 740810095 /nfs/dbraw/zinc/81/00/95/740810095.db2.gz LPMUKWGCRZZKIB-VIFPVBQESA-N 0 3 285.369 1.913 10 5 CDBEHN CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000823261325 740911130 /nfs/dbraw/zinc/91/11/30/740911130.db2.gz BRIYIAPMLPMDPR-LBPRGKRZSA-N 0 3 283.372 1.517 10 5 CDBEHN C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000928458905 741846906 /nfs/dbraw/zinc/84/69/06/741846906.db2.gz ZEWRPRUTMWMJJO-BXKDBHETSA-N 0 3 263.297 1.417 10 5 CDBEHN CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000812879190 741870818 /nfs/dbraw/zinc/87/08/18/741870818.db2.gz MWLBYJGBTVFJMP-ZIAGYGMSSA-N 0 3 280.324 1.739 10 5 CDBEHN CC(COC(=O)c1cc(Br)cn1C)[N+](=O)[O-] ZINC000813111907 742293482 /nfs/dbraw/zinc/29/34/82/742293482.db2.gz BESJTAQPBZTZJA-ZCFIWIBFSA-N 0 3 291.101 1.610 10 5 CDBEHN CC(COC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)[N+](=O)[O-] ZINC000813109052 742187048 /nfs/dbraw/zinc/18/70/48/742187048.db2.gz NTINPRSSYFJSAN-MNOVXSKESA-N 0 3 298.339 1.376 10 5 CDBEHN COCc1ncsc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103012 740054944 /nfs/dbraw/zinc/05/49/44/740054944.db2.gz YEZWRGALAASCAG-LURJTMIESA-N 0 3 260.271 1.112 10 5 CDBEHN COCc1ncc(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813115438 740149015 /nfs/dbraw/zinc/14/90/15/740149015.db2.gz RZSCRANFOISOJN-ZCFIWIBFSA-N 0 3 260.271 1.112 10 5 CDBEHN CC(C)Oc1ccc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813115264 741123576 /nfs/dbraw/zinc/12/35/76/741123576.db2.gz NZGZTWQQWLDZII-SECBINFHSA-N 0 3 268.269 1.691 10 5 CDBEHN CCOc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813113568 741715363 /nfs/dbraw/zinc/71/53/63/741715363.db2.gz GGTPTKKQHXACID-SNVBAGLBSA-N 0 3 267.281 1.836 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928448227 742316163 /nfs/dbraw/zinc/31/61/63/742316163.db2.gz BRGQTVUJCRPPNH-SKDRFNHKSA-N 0 3 293.323 1.426 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCCC[C@@H]2[C@H]2CCCO2)c1 ZINC001198686031 925500351 /nfs/dbraw/zinc/50/03/51/925500351.db2.gz PZTVAGWEAWOIQO-ZIAGYGMSSA-N 0 3 294.355 1.825 10 5 CDBEHN COCCN1CCC[C@H]1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000601111261 342468831 /nfs/dbraw/zinc/46/88/31/342468831.db2.gz PVNIYTQVHURZJK-NSHDSACASA-N 0 3 298.318 1.652 10 5 CDBEHN O=[N+]([O-])c1cnn(CCNCc2ccc(C(F)F)nc2)c1 ZINC000601111355 342468853 /nfs/dbraw/zinc/46/88/53/342468853.db2.gz OMJGAXDHHYZRCL-UHFFFAOYSA-N 0 3 297.265 1.914 10 5 CDBEHN O=[N+]([O-])c1cc(CNCC[C@@H](O)C(F)F)cs1 ZINC000601146931 342481875 /nfs/dbraw/zinc/48/18/75/342481875.db2.gz FDFOSZJBESLHPI-SSDOTTSWSA-N 0 3 266.269 1.762 10 5 CDBEHN CN1C[C@H]2[C@@H](CCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000590446429 342546770 /nfs/dbraw/zinc/54/67/70/342546770.db2.gz VEVDAKZHCXOYCB-JSGCOSHPSA-N 0 3 289.335 1.300 10 5 CDBEHN C[C@H]1COCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000277304749 539054488 /nfs/dbraw/zinc/05/44/88/539054488.db2.gz COJQTONUACIUKW-CABZTGNLSA-N 0 3 293.323 1.208 10 5 CDBEHN C/C=C/CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000600755418 342247600 /nfs/dbraw/zinc/24/76/00/342247600.db2.gz JZTMTULVTHEQEV-KXMPLOMGSA-N 0 3 266.297 1.500 10 5 CDBEHN CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CCN(C)C1 ZINC000596453825 343324479 /nfs/dbraw/zinc/32/44/79/343324479.db2.gz OKFIAEGJOONMNE-SECBINFHSA-N 0 3 266.301 1.089 10 5 CDBEHN CN1CCOC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1 ZINC000599003497 343937162 /nfs/dbraw/zinc/93/71/62/343937162.db2.gz IOJKLWYZGREHRA-ZDUSSCGKSA-N 0 3 265.313 1.015 10 5 CDBEHN COCCN1CCC[C@@H]1CNc1ccncc1[N+](=O)[O-] ZINC000068910814 351133367 /nfs/dbraw/zinc/13/33/67/351133367.db2.gz ZLDHNQOIXCOIKQ-LLVKDONJSA-N 0 3 280.328 1.513 10 5 CDBEHN COc1ccc(CN[C@@H](C)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000134981612 356901637 /nfs/dbraw/zinc/90/16/37/356901637.db2.gz RNUSJSBZUJBOEE-UWVGGRQHSA-N 0 3 268.313 1.710 10 5 CDBEHN CC1(C)COC[C@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000451814285 359081028 /nfs/dbraw/zinc/08/10/28/359081028.db2.gz WYDKWRCIQHVLBX-CYBMUJFWSA-N 0 3 280.324 1.988 10 5 CDBEHN C[C@@H](CN1CCC[C@H](C)C1)Nc1ccncc1[N+](=O)[O-] ZINC000340155364 359579606 /nfs/dbraw/zinc/57/96/06/359579606.db2.gz RZMXODNEOLAIBE-RYUDHWBXSA-N 0 3 278.356 1.944 10 5 CDBEHN C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cn2)CCN1C ZINC000266192520 373977777 /nfs/dbraw/zinc/97/77/77/373977777.db2.gz BWBASXVIGBZJGR-MNOVXSKESA-N 0 3 264.329 1.909 10 5 CDBEHN CN1CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301929926 374472376 /nfs/dbraw/zinc/47/23/76/374472376.db2.gz OAYAJSUKYZUOQS-UHFFFAOYSA-N 0 3 276.300 1.144 10 5 CDBEHN C[C@H]1CCCN(CCNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531878442 374514287 /nfs/dbraw/zinc/51/42/87/374514287.db2.gz MEIFVVCFISLRLG-NSHDSACASA-N 0 3 292.339 1.452 10 5 CDBEHN C[C@@H]1COCC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000277557236 374793489 /nfs/dbraw/zinc/79/34/89/374793489.db2.gz TXUWZGXBESIQGX-MNOVXSKESA-N 0 3 293.323 1.548 10 5 CDBEHN NC(=O)CC1(NC/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000351502482 375302969 /nfs/dbraw/zinc/30/29/69/375302969.db2.gz LTCCDOFHFUXZDB-UTCJRWHESA-N 0 3 289.335 1.996 10 5 CDBEHN CO[C@@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000191711444 130283381 /nfs/dbraw/zinc/28/33/81/130283381.db2.gz CZHLPLSHCPCMKH-DCAQKATOSA-N 0 3 295.339 1.935 10 5 CDBEHN O=[N+]([O-])c1ccccc1CNCC[C@H](O)C(F)(F)F ZINC000349334776 154092146 /nfs/dbraw/zinc/09/21/46/154092146.db2.gz TWYDYCSNVMRRSC-JTQLQIEISA-N 0 3 278.230 1.998 10 5 CDBEHN CO[C@]1(CNCc2ccc([N+](=O)[O-])cc2C)CCOC1 ZINC000359656294 158325742 /nfs/dbraw/zinc/32/57/42/158325742.db2.gz WTGPCMLXCXZKNW-AWEZNQCLSA-N 0 3 280.324 1.798 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCC(c3c[nH]cn3)CC2)c1 ZINC000374202140 160263460 /nfs/dbraw/zinc/26/34/60/160263460.db2.gz ZOTUWKGVPLDKMP-UHFFFAOYSA-N 0 3 290.327 1.394 10 5 CDBEHN Cc1cc(NC(=O)[C@@H](N)C(C)C)ccc1[N+](=O)[O-] ZINC000043570253 175068167 /nfs/dbraw/zinc/06/81/67/175068167.db2.gz KKWKCFDUSUOXON-NSHDSACASA-N 0 3 251.286 1.825 10 5 CDBEHN CN(C)C(=O)CCNCCOc1ccc([N+](=O)[O-])cc1 ZINC000044991925 175286042 /nfs/dbraw/zinc/28/60/42/175286042.db2.gz JEWDTRUNCPSGSW-UHFFFAOYSA-N 0 3 281.312 1.042 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN1C ZINC000194724568 280051452 /nfs/dbraw/zinc/05/14/52/280051452.db2.gz DJMSAPBSHXAKEW-NSHDSACASA-N 0 3 293.323 1.427 10 5 CDBEHN COC[C@@](C)(O)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514873895 280854674 /nfs/dbraw/zinc/85/46/74/280854674.db2.gz ZYDIIVUIRNODHO-HIFRSBDPSA-N 0 3 294.351 1.959 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000183272779 323326572 /nfs/dbraw/zinc/32/65/72/323326572.db2.gz CRQBFSRRMRDDDG-WCQYABFASA-N 0 3 291.351 1.989 10 5 CDBEHN CCN[C@H](CCOc1cccc(C)c1[N+](=O)[O-])C(N)=O ZINC000062540728 520192436 /nfs/dbraw/zinc/19/24/36/520192436.db2.gz FKBMJIBAWXBCSN-SNVBAGLBSA-N 0 3 281.312 1.136 10 5 CDBEHN CCN1CCC[C@@H](NC(=O)c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000050708141 521622848 /nfs/dbraw/zinc/62/28/48/521622848.db2.gz QCGKIFYURSWLHA-LLVKDONJSA-N 0 3 292.339 1.391 10 5 CDBEHN CN[C@@](CSc1ccccc1[N+](=O)[O-])(C(N)=O)C1CC1 ZINC000069184523 522433601 /nfs/dbraw/zinc/43/36/01/522433601.db2.gz UEZZXHPNXCFGMK-CYBMUJFWSA-N 0 3 295.364 1.540 10 5 CDBEHN CN[C@](C)(C[C@H](C)Oc1ccccc1[N+](=O)[O-])C(N)=O ZINC000068650973 522525157 /nfs/dbraw/zinc/52/51/57/522525157.db2.gz JZHQCLFNKWLPJI-TVQRCGJNSA-N 0 3 281.312 1.216 10 5 CDBEHN C[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CCN1 ZINC000052783411 524671579 /nfs/dbraw/zinc/67/15/79/524671579.db2.gz IWSIQOATONWKJD-JTQLQIEISA-N 0 3 272.308 1.941 10 5 CDBEHN C[C@](N)(CCSc1ccccc1[N+](=O)[O-])C(N)=O ZINC000045549750 525146788 /nfs/dbraw/zinc/14/67/88/525146788.db2.gz AKTKMWRDZAYDAJ-NSHDSACASA-N 0 3 269.326 1.280 10 5 CDBEHN O=[N+]([O-])c1ccccc1CCN1CCC[C@H](O)C1 ZINC000062727273 527397170 /nfs/dbraw/zinc/39/71/70/527397170.db2.gz RSLFLFCOMNVUGU-LBPRGKRZSA-N 0 3 250.298 1.594 10 5 CDBEHN CCc1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813111604 617346324 /nfs/dbraw/zinc/34/63/24/617346324.db2.gz VPJOHDBZYHNRTA-JTQLQIEISA-N 0 3 251.282 2.000 10 5 CDBEHN CC(COC(=O)C(C)(C)c1cccnc1)[N+](=O)[O-] ZINC000813115116 617349187 /nfs/dbraw/zinc/34/91/87/617349187.db2.gz KTNYYLIKSJPYSV-VIFPVBQESA-N 0 3 252.270 1.568 10 5 CDBEHN C[C@@H]1[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CCN1C ZINC000928442768 619087749 /nfs/dbraw/zinc/08/77/49/619087749.db2.gz BYIMTICVFROBNK-GHMZBOCLSA-N 0 3 292.339 1.216 10 5 CDBEHN CC[C@@H](CNCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000895120380 619314838 /nfs/dbraw/zinc/31/48/38/619314838.db2.gz OCSMAGGHLBXWFK-JTQLQIEISA-N 0 3 266.297 1.884 10 5 CDBEHN CCn1c(C)nc([N+](=O)[O-])c1N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001643180256 1167232936 /nfs/dbraw/zinc/23/29/36/1167232936.db2.gz PRGFJNFAYJPKHV-NWDGAFQWSA-N 0 3 293.371 1.793 10 5 CDBEHN Cc1cc(N2CC(N[C@@H]3CCOC3)C2)c(F)cc1[N+](=O)[O-] ZINC001651456898 1171326732 /nfs/dbraw/zinc/32/67/32/1171326732.db2.gz JHVRVMVMJBURAH-SNVBAGLBSA-N 0 3 295.314 1.609 10 5 CDBEHN COC[C@@H](O)CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000802660061 745096173 /nfs/dbraw/zinc/09/61/73/745096173.db2.gz ZIGGOQBCTBKBAC-VIFPVBQESA-N 0 3 274.704 1.345 10 5 CDBEHN C[C@H](NC[C@@H](O)c1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000927136846 745864488 /nfs/dbraw/zinc/86/44/88/745864488.db2.gz JTEICRWTLQGWJV-IINYFYTJSA-N 0 3 290.323 1.713 10 5 CDBEHN CC[C@H](NC[C@@H](O)C1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000930233439 745872130 /nfs/dbraw/zinc/87/21/30/745872130.db2.gz QKXYTBQMDDUJTC-UONOGXRCSA-N 0 3 294.351 1.911 10 5 CDBEHN C[C@H](C1CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000777684392 746466063 /nfs/dbraw/zinc/46/60/63/746466063.db2.gz UGYMTRPQONUJNE-LLVKDONJSA-N 0 3 276.340 1.910 10 5 CDBEHN CN1CCn2nc(NCc3cccc([N+](=O)[O-])c3)cc2C1 ZINC000865846543 746629591 /nfs/dbraw/zinc/62/95/91/746629591.db2.gz VTEPRGHIVCKSSG-UHFFFAOYSA-N 0 3 287.323 1.849 10 5 CDBEHN COc1cccc(COCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813111981 747363533 /nfs/dbraw/zinc/36/35/33/747363533.db2.gz MCMYTVKOCJHNBH-JTQLQIEISA-N 0 3 283.280 1.420 10 5 CDBEHN C[C@H](NCC[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000135465726 747857751 /nfs/dbraw/zinc/85/77/51/747857751.db2.gz BNDWEYQAPJBUIH-HUTHGQBESA-N 0 3 256.327 1.624 10 5 CDBEHN CC(COC(=O)[C@H]1COc2ccccc2C1)[N+](=O)[O-] ZINC000813108107 747946204 /nfs/dbraw/zinc/94/62/04/747946204.db2.gz AGMCBLSXQVOAMV-MWLCHTKSSA-N 0 3 265.265 1.446 10 5 CDBEHN CC(=O)c1cc(C(=O)OCC(C)[N+](=O)[O-])cs1 ZINC000816091432 748185823 /nfs/dbraw/zinc/18/58/23/748185823.db2.gz WPOQXEHMRHBPLI-ZCFIWIBFSA-N 0 3 257.267 1.773 10 5 CDBEHN Cc1ccc2c(c1)CC[C@H](C(=O)OCC(C)[N+](=O)[O-])O2 ZINC000813102072 748455407 /nfs/dbraw/zinc/45/54/07/748455407.db2.gz NKWCAIGKPQMGTN-ZWNOBZJWSA-N 0 3 279.292 1.897 10 5 CDBEHN O=[N+]([O-])c1cccc(CNCCOCCCO)c1 ZINC000353022008 1167323265 /nfs/dbraw/zinc/32/32/65/1167323265.db2.gz UMOCGSIFISLZLE-UHFFFAOYSA-N 0 3 254.286 1.083 10 5 CDBEHN Cc1ccc([C@@H](C)NC[C@@H](O)C(C)(C)O)cc1[N+](=O)[O-] ZINC001653908052 1171575631 /nfs/dbraw/zinc/57/56/31/1171575631.db2.gz YHIOWXMDOOBWNS-ZWNOBZJWSA-N 0 3 282.340 1.686 10 5 CDBEHN CCCN1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000586964675 342473557 /nfs/dbraw/zinc/47/35/57/342473557.db2.gz UCYASZBSKFMGBL-UHFFFAOYSA-N 0 3 294.355 1.201 10 5 CDBEHN NC[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000401778167 342747775 /nfs/dbraw/zinc/74/77/75/342747775.db2.gz OMVZCIQUUOPZJK-MRVPVSSYSA-N 0 3 292.217 1.606 10 5 CDBEHN O=[N+]([O-])c1cnccc1N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594597037 342923780 /nfs/dbraw/zinc/92/37/80/342923780.db2.gz CDGXUJPDCVDRBW-YPMHNXCESA-N 0 3 276.340 1.841 10 5 CDBEHN O=[N+]([O-])c1cccc(OCCN[C@H]2C[C@H](O)C23CCC3)c1 ZINC000595776630 343148967 /nfs/dbraw/zinc/14/89/67/343148967.db2.gz BLMQYLKYSNUEPB-KBPBESRZSA-N 0 3 292.335 1.867 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNCCOCCF ZINC000596057010 343222506 /nfs/dbraw/zinc/22/25/06/343222506.db2.gz FLZHZXQBMNBCBM-UHFFFAOYSA-N 0 3 256.277 1.979 10 5 CDBEHN Cc1ccc(CN[C@H]2CCOC[C@H]2O)cc1[N+](=O)[O-] ZINC000599012690 343940060 /nfs/dbraw/zinc/94/00/60/343940060.db2.gz UWFTZEHVHQITGP-WCQYABFASA-N 0 3 266.297 1.143 10 5 CDBEHN Nc1ccc(NC[C@@H]2CCN2C2CCCC2)nc1[N+](=O)[O-] ZINC000599165700 343973152 /nfs/dbraw/zinc/97/31/52/343973152.db2.gz QQWBZTZKHNZANU-NSHDSACASA-N 0 3 291.355 1.423 10 5 CDBEHN CN1CCC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000052522303 346445488 /nfs/dbraw/zinc/44/54/88/346445488.db2.gz UEUORFFKQYPJFY-GFCCVEGCSA-N 0 3 292.339 1.488 10 5 CDBEHN CCCN1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000074258603 349208600 /nfs/dbraw/zinc/20/86/00/349208600.db2.gz OCARTDATKNUMJX-UHFFFAOYSA-N 0 3 264.329 1.912 10 5 CDBEHN CN(C)CCn1cc(NCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000236995872 363211835 /nfs/dbraw/zinc/21/18/35/363211835.db2.gz SKUXVNUHKPYORP-UHFFFAOYSA-N 0 3 289.339 1.965 10 5 CDBEHN CN(C)CCN(C)c1cc(CO)ccc1[N+](=O)[O-] ZINC000302053906 201322299 /nfs/dbraw/zinc/32/22/99/201322299.db2.gz PVNULISMFLOAEA-UHFFFAOYSA-N 0 3 253.302 1.085 10 5 CDBEHN COC(=O)[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000298729509 374083770 /nfs/dbraw/zinc/08/37/70/374083770.db2.gz OGMHLMAFIHMADO-NSHDSACASA-N 0 3 294.307 1.469 10 5 CDBEHN O=[N+]([O-])c1cc(CN2CCN3CCC2CC3)cs1 ZINC000368585477 374320124 /nfs/dbraw/zinc/32/01/24/374320124.db2.gz RFRMZVIKRPXATP-UHFFFAOYSA-N 0 3 267.354 1.936 10 5 CDBEHN C[C@H](NC[C@@H]1CCC(=O)N1)c1ccccc1[N+](=O)[O-] ZINC000079927370 374429585 /nfs/dbraw/zinc/42/95/85/374429585.db2.gz CUEPKFAEOBHVOQ-UWVGGRQHSA-N 0 3 263.297 1.524 10 5 CDBEHN CN1CC[C@H](CNCc2csc([N+](=O)[O-])c2)CC1=O ZINC000424190389 246377006 /nfs/dbraw/zinc/37/70/06/246377006.db2.gz OGTPNZGYWPTEKO-VIFPVBQESA-N 0 3 283.353 1.614 10 5 CDBEHN CN[C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081941877 177904939 /nfs/dbraw/zinc/90/49/39/177904939.db2.gz RFQCRSYVBGAYIV-CHWSQXEVSA-N 0 3 298.364 1.899 10 5 CDBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000247311605 390500158 /nfs/dbraw/zinc/50/01/58/390500158.db2.gz OCBFAPQUMIKMEC-RYUDHWBXSA-N 0 3 289.335 1.904 10 5 CDBEHN C[C@H]1CC(C)(C)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000412050808 391840243 /nfs/dbraw/zinc/84/02/43/391840243.db2.gz ZVBQEURCTXDCDI-JTQLQIEISA-N 0 3 252.318 1.912 10 5 CDBEHN Cc1cc(N2CCC[C@H]3CN(C)C[C@H]32)ncc1[N+](=O)[O-] ZINC000425288008 393017115 /nfs/dbraw/zinc/01/71/15/393017115.db2.gz STOLKMFDKRLNHB-WCQYABFASA-N 0 3 276.340 1.829 10 5 CDBEHN CC1=C[C@@H](C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000430276033 393096957 /nfs/dbraw/zinc/09/69/57/393096957.db2.gz CCSAUNXMMURDCV-MFKMUULPSA-N 0 3 280.328 1.050 10 5 CDBEHN CNC(=O)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1C ZINC000449603452 393135292 /nfs/dbraw/zinc/13/52/92/393135292.db2.gz QVEQEYRQXDPXLW-JTQLQIEISA-N 0 3 265.313 1.517 10 5 CDBEHN C[C@H]1COCC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000280640953 393152382 /nfs/dbraw/zinc/15/23/82/393152382.db2.gz RGXUXKNRCHBRNY-ONGXEEELSA-N 0 3 290.323 1.986 10 5 CDBEHN Cc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000195310564 140152481 /nfs/dbraw/zinc/15/24/81/140152481.db2.gz ZAYPUNDXARTBGA-CYBMUJFWSA-N 0 3 289.335 1.823 10 5 CDBEHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1C ZINC000350077104 154320482 /nfs/dbraw/zinc/32/04/82/154320482.db2.gz BWNUPJUCPIFORZ-KGLIPLIRSA-N 0 3 291.351 1.908 10 5 CDBEHN CC(C)NCc1cc([N+](=O)[O-])ccc1OCCO ZINC000035414765 172189331 /nfs/dbraw/zinc/18/93/31/172189331.db2.gz WTJVJULVFUBNGN-UHFFFAOYSA-N 0 3 254.286 1.464 10 5 CDBEHN CN[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300214 175001055 /nfs/dbraw/zinc/00/10/55/175001055.db2.gz MQBWUNSYTJRFMS-PWSUYJOCSA-N 0 3 284.337 1.290 10 5 CDBEHN CCN[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300777 175001661 /nfs/dbraw/zinc/00/16/61/175001661.db2.gz WXICUFCKUDVNOF-YPMHNXCESA-N 0 3 298.364 1.680 10 5 CDBEHN CCNCc1cc([N+](=O)[O-])ccc1O[C@H](C)C(=O)OC ZINC000043625114 175081206 /nfs/dbraw/zinc/08/12/06/175081206.db2.gz SIWPCHIYZIWCTL-SECBINFHSA-N 0 3 282.296 1.645 10 5 CDBEHN CC(=O)NCCCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000342293921 278103122 /nfs/dbraw/zinc/10/31/22/278103122.db2.gz GWFNDPPBCFQMKD-SNVBAGLBSA-N 0 3 265.313 1.772 10 5 CDBEHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000282247170 278280379 /nfs/dbraw/zinc/28/03/79/278280379.db2.gz GKTFDTGLQLFKOM-CWSCBRNRSA-N 0 3 277.324 1.913 10 5 CDBEHN C[C@H](O)c1ccc(N2CCNCC2)c([N+](=O)[O-])c1 ZINC000079052526 279586618 /nfs/dbraw/zinc/58/66/18/279586618.db2.gz QKSREADBAIDGRA-VIFPVBQESA-N 0 3 251.286 1.058 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN[C@@H](c2cccnc2)C2CC2)n1 ZINC000527324087 281127297 /nfs/dbraw/zinc/12/72/97/281127297.db2.gz BSWTZMAJOCRFFX-CQSZACIVSA-N 0 3 287.323 1.927 10 5 CDBEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000565752813 293673495 /nfs/dbraw/zinc/67/34/95/293673495.db2.gz KFPGGCLFSXYZMT-VIFPVBQESA-N 0 3 283.332 1.024 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(OCC(C)(C)O)c1 ZINC000050516967 520001220 /nfs/dbraw/zinc/00/12/20/520001220.db2.gz IHKMYHFVGFVXIA-UHFFFAOYSA-N 0 3 268.313 1.854 10 5 CDBEHN CN[C@@](C)(C[C@H](C)Sc1ccccc1[N+](=O)[O-])C(N)=O ZINC000068628506 522421174 /nfs/dbraw/zinc/42/11/74/522421174.db2.gz JMYWFYJGTTZFFT-ZANVPECISA-N 0 3 297.380 1.929 10 5 CDBEHN CC(C)OCCOc1ccc(CN)cc1[N+](=O)[O-] ZINC000049258920 519768841 /nfs/dbraw/zinc/76/88/41/519768841.db2.gz PPJVIKNHGBXWRF-UHFFFAOYSA-N 0 3 254.286 1.857 10 5 CDBEHN CC(C)[C@@H](CN(C)C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000049219100 519794073 /nfs/dbraw/zinc/79/40/73/519794073.db2.gz SFJKQBAJNUJKSG-GFCCVEGCSA-N 0 3 294.355 1.692 10 5 CDBEHN CCNC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000061291988 519907492 /nfs/dbraw/zinc/90/74/92/519907492.db2.gz PFUJWSUCYQQDDL-UHFFFAOYSA-N 0 3 281.312 1.930 10 5 CDBEHN CCNC(=O)CCOc1ccc([N+](=O)[O-])cc1CNC ZINC000051757276 521736042 /nfs/dbraw/zinc/73/60/42/521736042.db2.gz AKHZKOBBJIABHQ-UHFFFAOYSA-N 0 3 281.312 1.219 10 5 CDBEHN COCC[C@@H](N)C(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000052792399 521825850 /nfs/dbraw/zinc/82/58/50/521825850.db2.gz YBICNTJJQICKPZ-SECBINFHSA-N 0 3 267.285 1.206 10 5 CDBEHN CN[C@@](C)(C[C@H](C)Oc1cc([N+](=O)[O-])ccc1C)C(N)=O ZINC000068651339 522418799 /nfs/dbraw/zinc/41/87/99/522418799.db2.gz PQBZXQLWOOFKBW-HZMBPMFUSA-N 0 3 295.339 1.524 10 5 CDBEHN CN[C@@](C)(C[C@H](C)Oc1cc(C)ccc1[N+](=O)[O-])C(N)=O ZINC000068651068 522419508 /nfs/dbraw/zinc/41/95/08/522419508.db2.gz DSGAHJQJWIQMDC-HZMBPMFUSA-N 0 3 295.339 1.524 10 5 CDBEHN CNc1ccc(CN2CCCN(C)CC2)cc1[N+](=O)[O-] ZINC000050812378 522610949 /nfs/dbraw/zinc/61/09/49/522610949.db2.gz OESHMSVERSBKNS-UHFFFAOYSA-N 0 3 278.356 1.774 10 5 CDBEHN C[C@@H](Oc1cc(CN)ccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000050516465 525915228 /nfs/dbraw/zinc/91/52/28/525915228.db2.gz PBPAWZQENZUUOD-SNVBAGLBSA-N 0 3 293.323 1.443 10 5 CDBEHN O=[N+]([O-])c1ccc(OC2CNC2)c(Br)c1 ZINC000062810007 527371143 /nfs/dbraw/zinc/37/11/43/527371143.db2.gz PTLAAQDXZRBVGR-UHFFFAOYSA-N 0 3 273.086 1.708 10 5 CDBEHN COc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928457023 619121256 /nfs/dbraw/zinc/12/12/56/619121256.db2.gz NZPRMGNEZLCSDT-ONGXEEELSA-N 0 3 293.323 1.426 10 5 CDBEHN CN(CCOc1cccc([N+](=O)[O-])c1)CCn1cnnc1 ZINC001655489013 1171697677 /nfs/dbraw/zinc/69/76/77/1171697677.db2.gz WXAQWGDPUBNIMD-UHFFFAOYSA-N 0 3 291.311 1.197 10 5 CDBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)COC ZINC001715712750 1179771955 /nfs/dbraw/zinc/77/19/55/1179771955.db2.gz LZSJBFPVGXIMNY-UHFFFAOYSA-N 0 3 295.339 1.179 10 5 CDBEHN COC1(OC)CC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000925381747 751795332 /nfs/dbraw/zinc/79/53/32/751795332.db2.gz CMRAQIFGZJGZJR-ZDUSSCGKSA-N 0 3 296.323 1.715 10 5 CDBEHN CCN1CC[C@H]1CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000712549681 751893127 /nfs/dbraw/zinc/89/31/27/751893127.db2.gz RDZNLHBUGXYMNS-QMMMGPOBSA-N 0 3 277.284 1.637 10 5 CDBEHN C[C@@H]1CC[C@H](CO)N1Cc1cccc([N+](=O)[O-])c1 ZINC000880441226 750006253 /nfs/dbraw/zinc/00/62/53/750006253.db2.gz RJZAYFQYOJAXJA-ZWNOBZJWSA-N 0 3 250.298 1.940 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000816949269 751030650 /nfs/dbraw/zinc/03/06/50/751030650.db2.gz RPQZMNKNEDAEMF-NOZJJQNGSA-N 0 3 293.298 1.510 10 5 CDBEHN O=[N+]([O-])c1ccc(F)cc1OC[C@@H]1CNCCO1 ZINC000080745185 751152984 /nfs/dbraw/zinc/15/29/84/751152984.db2.gz VWTUBCKCPJIOID-VIFPVBQESA-N 0 3 256.233 1.101 10 5 CDBEHN C[C@@H]([NH3+])C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857763913 752646039 /nfs/dbraw/zinc/64/60/39/752646039.db2.gz ATYFJIAFLAEKBT-SSDOTTSWSA-N 0 3 289.238 1.030 10 5 CDBEHN CC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813104880 752749176 /nfs/dbraw/zinc/74/91/76/752749176.db2.gz SMWUVLRXTURAKT-ZCFIWIBFSA-N 0 3 257.267 1.773 10 5 CDBEHN C[C@@H]1CCCN1CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000783923346 753015809 /nfs/dbraw/zinc/01/58/09/753015809.db2.gz YWPSUXIJZKAVPL-SNVBAGLBSA-N 0 3 278.312 1.204 10 5 CDBEHN COc1ccc(/C=C\C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111554 753286432 /nfs/dbraw/zinc/28/64/32/753286432.db2.gz UQLWWOUEYXDJOV-NVDWLVSRSA-N 0 3 265.265 1.917 10 5 CDBEHN CC(COC(=O)c1cccnc1C1CC1)[N+](=O)[O-] ZINC000813107155 753624272 /nfs/dbraw/zinc/62/42/72/753624272.db2.gz LEKXPLLGBMXOMH-QMMMGPOBSA-N 0 3 250.254 1.781 10 5 CDBEHN O=C1C[C@@H](CN2CCc3c(cccc3[N+](=O)[O-])C2)CN1 ZINC000851869623 753771243 /nfs/dbraw/zinc/77/12/43/753771243.db2.gz MLUDFUFJFHEOTN-SNVBAGLBSA-N 0 3 275.308 1.089 10 5 CDBEHN Cc1nc(CC(=O)OCC(C)[N+](=O)[O-])c(C)s1 ZINC000813110795 753790077 /nfs/dbraw/zinc/79/00/77/753790077.db2.gz JQQIFFADOQZRIM-LURJTMIESA-N 0 3 258.299 1.511 10 5 CDBEHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001142620994 937040370 /nfs/dbraw/zinc/04/03/70/937040370.db2.gz VQLANJVSRHMLKW-NSHDSACASA-N 0 3 292.339 1.343 10 5 CDBEHN NC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000401720361 342633718 /nfs/dbraw/zinc/63/37/18/342633718.db2.gz IXHZXJGMTMUPGF-VIFPVBQESA-N 0 3 291.229 1.143 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CCC(C3(O)CC3)CC2)n1 ZINC000593052247 342764120 /nfs/dbraw/zinc/76/41/20/342764120.db2.gz YAPSVXDNPSRATD-UHFFFAOYSA-N 0 3 280.328 1.028 10 5 CDBEHN COC(=O)[C@@H]1C[C@H]1[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000594920846 342987342 /nfs/dbraw/zinc/98/73/42/342987342.db2.gz AZDIDRMTJHHECF-TVYUQYBPSA-N 0 3 278.308 1.882 10 5 CDBEHN Cc1noc(CN(C)[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595349111 343045598 /nfs/dbraw/zinc/04/55/98/343045598.db2.gz YJXDZRRUWZKCLK-MWLCHTKSSA-N 0 3 282.344 1.806 10 5 CDBEHN COc1cc(CN[C@H](C)[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000450735898 362006801 /nfs/dbraw/zinc/00/68/01/362006801.db2.gz CQIMVDRMCJVMRR-VHSXEESVSA-N 0 3 268.313 1.710 10 5 CDBEHN O=[N+]([O-])c1cccc(OCCN2CC[C@H]3COC[C@H]3C2)c1 ZINC000595835106 343171131 /nfs/dbraw/zinc/17/11/31/343171131.db2.gz ULAZOKHMEOSAIE-QWHCGFSZSA-N 0 3 292.335 1.942 10 5 CDBEHN O=[N+]([O-])c1cccc(CN2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1 ZINC000599680822 344117866 /nfs/dbraw/zinc/11/78/66/344117866.db2.gz GWNBXPPZSUVUOZ-IACUBPJLSA-N 0 3 262.309 1.940 10 5 CDBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CCOCCO ZINC000265759695 362596687 /nfs/dbraw/zinc/59/66/87/362596687.db2.gz ATWGLSJZEMPXBG-NSHDSACASA-N 0 3 268.313 1.597 10 5 CDBEHN CN1CCC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000610667809 346337029 /nfs/dbraw/zinc/33/70/29/346337029.db2.gz LRCRCVNFUVLBSD-CYBMUJFWSA-N 0 3 291.351 1.738 10 5 CDBEHN COC[C@](C)(CO)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000611479880 346797961 /nfs/dbraw/zinc/79/79/61/346797961.db2.gz KVXFYQZRIVDGGL-DYLGSBMWSA-N 0 3 280.324 1.595 10 5 CDBEHN COc1cc(NC[C@H]2CNCCO2)c([N+](=O)[O-])cc1C ZINC000312858041 350796403 /nfs/dbraw/zinc/79/64/03/350796403.db2.gz YYEWLWKNEFPSFY-SNVBAGLBSA-N 0 3 281.312 1.312 10 5 CDBEHN O=[N+]([O-])c1cccc([C@H](O)CN2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000154231942 188131001 /nfs/dbraw/zinc/13/10/01/188131001.db2.gz VTISCCLLCYWYBA-BNGAQMRFSA-N 0 3 292.335 1.616 10 5 CDBEHN NC1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000127732289 358247577 /nfs/dbraw/zinc/24/75/77/358247577.db2.gz PWTSDHPPLJZKQB-UHFFFAOYSA-N 0 3 265.269 1.041 10 5 CDBEHN CN1CCC[C@H]1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000049099948 359254783 /nfs/dbraw/zinc/25/47/83/359254783.db2.gz KTFHQEGPTPUJFJ-QMMMGPOBSA-N 0 3 281.341 1.810 10 5 CDBEHN O=[N+]([O-])c1ccc2nc(OC[C@H]3CCC[NH2+]C3)[n-]c2c1 ZINC000094772359 367004868 /nfs/dbraw/zinc/00/48/68/367004868.db2.gz JXYAUEASKGGOTJ-VIFPVBQESA-N 0 3 276.296 1.850 10 5 CDBEHN O=[N+]([O-])c1ccc2[n-]c(OC[C@H]3CCC[NH2+]C3)nc2c1 ZINC000094772359 367004875 /nfs/dbraw/zinc/00/48/75/367004875.db2.gz JXYAUEASKGGOTJ-VIFPVBQESA-N 0 3 276.296 1.850 10 5 CDBEHN COc1ccc(CNC(C)(C)[C@H](C)O)cc1[N+](=O)[O-] ZINC000161143664 367283998 /nfs/dbraw/zinc/28/39/98/367283998.db2.gz QPHBAQWQOTXTJT-VIFPVBQESA-N 0 3 268.313 1.852 10 5 CDBEHN O=[N+]([O-])c1ccccc1CNC[C@H]1CCCCN1CCO ZINC000449390297 374806568 /nfs/dbraw/zinc/80/65/68/374806568.db2.gz GETOCAARHDALMO-CQSZACIVSA-N 0 3 293.367 1.531 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](O)C[C@@H]1C ZINC000471802962 375056423 /nfs/dbraw/zinc/05/64/23/375056423.db2.gz DYSJGIHJQMUMFW-GXFFZTMASA-N 0 3 250.298 1.858 10 5 CDBEHN O=[N+]([O-])c1ccc(F)cc1NC[C@H](O)CN1CCCCC1 ZINC000302794086 375252176 /nfs/dbraw/zinc/25/21/76/375252176.db2.gz HZWWDGFEZOPZMV-LBPRGKRZSA-N 0 3 297.330 1.993 10 5 CDBEHN CN(C)[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173500823 378481762 /nfs/dbraw/zinc/48/17/62/378481762.db2.gz JAZXLVNWMKDFBG-ZDUSSCGKSA-N 0 3 277.324 1.300 10 5 CDBEHN COc1cc(CN(C[C@H](C)O)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000443325633 250021372 /nfs/dbraw/zinc/02/13/72/250021372.db2.gz HHHKLACDSOUIGG-MNOVXSKESA-N 0 3 298.339 1.167 10 5 CDBEHN O=[N+]([O-])c1ccc(N[C@@H]2CCCN(CCCO)C2)cn1 ZINC000450614195 251367116 /nfs/dbraw/zinc/36/71/16/251367116.db2.gz MOWNEXFGPUCCOU-GFCCVEGCSA-N 0 3 280.328 1.249 10 5 CDBEHN C[C@H]1CN2CCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000408464281 391646457 /nfs/dbraw/zinc/64/64/57/391646457.db2.gz DTOFRLMJACAYIO-UWVGGRQHSA-N 0 3 280.303 1.802 10 5 CDBEHN CN(CCCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000282012080 393166941 /nfs/dbraw/zinc/16/69/41/393166941.db2.gz YBGBZJLLTZUTMW-UHFFFAOYSA-N 0 3 254.286 1.288 10 5 CDBEHN CN1CCC[C@H](CNc2cc([N+](=O)[O-])ccn2)C1 ZINC000044537849 175200313 /nfs/dbraw/zinc/20/03/13/175200313.db2.gz WCZXRLQKBKWOOY-SNVBAGLBSA-N 0 3 250.302 1.744 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(O[C@@H]2CCN(C)C2=O)c1 ZINC000071183102 176058369 /nfs/dbraw/zinc/05/83/69/176058369.db2.gz AAGQNKHKILXFQI-GFCCVEGCSA-N 0 3 293.323 1.314 10 5 CDBEHN CN1C[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])CCC1=O ZINC000563419591 316304376 /nfs/dbraw/zinc/30/43/76/316304376.db2.gz XHTVFEUQWLRQSC-MFKMUULPSA-N 0 3 289.335 1.793 10 5 CDBEHN CCN[C@@H](COc1ccc([N+](=O)[O-])c(Cl)c1)C(N)=O ZINC000050471866 520102709 /nfs/dbraw/zinc/10/27/09/520102709.db2.gz QBUKCSUWEHZRIL-VIFPVBQESA-N 0 3 287.703 1.090 10 5 CDBEHN CCCNCc1cc([N+](=O)[O-])ccc1O[C@@H](CC)C(N)=O ZINC000061675904 519948381 /nfs/dbraw/zinc/94/83/81/519948381.db2.gz MMEZZDCOGOGTFB-LBPRGKRZSA-N 0 3 295.339 1.737 10 5 CDBEHN CCNCc1nccn1Cc1ccc([N+](=O)[O-])cc1 ZINC000051004790 520023167 /nfs/dbraw/zinc/02/31/67/520023167.db2.gz QQRJDUIWTQGRAA-UHFFFAOYSA-N 0 3 260.297 1.949 10 5 CDBEHN CCCn1cc([N+](=O)[O-])cc1C(=O)N1[C@@H](C)CNC[C@@H]1C ZINC000069133217 521655731 /nfs/dbraw/zinc/65/57/31/521655731.db2.gz NOOITRQABNEKRL-QWRGUYRKSA-N 0 3 294.355 1.629 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(OCc2ccno2)c1 ZINC000050516672 522125859 /nfs/dbraw/zinc/12/58/59/522125859.db2.gz GFMPFKWBJDDQCP-UHFFFAOYSA-N 0 3 263.253 1.881 10 5 CDBEHN CN[C@@](C)(C[C@H](C)Oc1cccc(C)c1[N+](=O)[O-])C(N)=O ZINC000068651394 522422609 /nfs/dbraw/zinc/42/26/09/522422609.db2.gz DAPUKIZGUWPZQO-HZMBPMFUSA-N 0 3 295.339 1.524 10 5 CDBEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])cn1C1CC1 ZINC000069133002 525098128 /nfs/dbraw/zinc/09/81/28/525098128.db2.gz AJZKPDLHWCODHA-NXEZZACHSA-N 0 3 292.339 1.554 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@H](CN(C)C)C1 ZINC000183219554 525564290 /nfs/dbraw/zinc/56/42/90/525564290.db2.gz JOOAPRZZUJMODN-OAHLLOKOSA-N 0 3 293.367 1.666 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@](C)(O)C1 ZINC000183389418 525567211 /nfs/dbraw/zinc/56/72/11/525567211.db2.gz UJXCKIIOLHQKNG-ZDUSSCGKSA-N 0 3 250.298 1.860 10 5 CDBEHN Cc1nc(COc2cc(CN)ccc2[N+](=O)[O-])no1 ZINC000050516192 526905870 /nfs/dbraw/zinc/90/58/70/526905870.db2.gz JNQRSGQRUDGWDS-UHFFFAOYSA-N 0 3 264.241 1.324 10 5 CDBEHN COc1cc(CN2CC[C@H]([C@@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000305835688 536772814 /nfs/dbraw/zinc/77/28/14/536772814.db2.gz FSIJNHDMAONUMZ-PWSUYJOCSA-N 0 3 280.324 1.806 10 5 CDBEHN CC(=O)N(C)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102022 617342304 /nfs/dbraw/zinc/34/23/04/617342304.db2.gz NDXLDRLLYZMYJZ-SECBINFHSA-N 0 3 280.280 1.491 10 5 CDBEHN CC(COC(=O)c1ccc(Cn2cccn2)o1)[N+](=O)[O-] ZINC000813114496 617349162 /nfs/dbraw/zinc/34/91/62/617349162.db2.gz RROBFNDPJNSQNN-SECBINFHSA-N 0 3 279.252 1.346 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928445563 619093774 /nfs/dbraw/zinc/09/37/74/619093774.db2.gz ZCNBGTIRLVZAJA-QWRGUYRKSA-N 0 3 277.324 1.726 10 5 CDBEHN COc1ccc(F)cc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813102028 754723193 /nfs/dbraw/zinc/72/31/93/754723193.db2.gz NHUDUSBLBOENEY-MRVPVSSYSA-N 0 3 271.244 1.585 10 5 CDBEHN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813114801 754885916 /nfs/dbraw/zinc/88/59/16/754885916.db2.gz GVZHKYOJCVMFTM-RKDXNWHRSA-N 0 3 283.328 1.424 10 5 CDBEHN CC(COC(=O)[C@H](C)Oc1ccc(F)cc1)[N+](=O)[O-] ZINC000813110680 755033954 /nfs/dbraw/zinc/03/39/54/755033954.db2.gz HKWWOUFYQLCQAH-IUCAKERBSA-N 0 3 271.244 1.801 10 5 CDBEHN Cc1c(F)nccc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000862284688 755096461 /nfs/dbraw/zinc/09/64/61/755096461.db2.gz HBNPREBWTHMNQB-UHFFFAOYSA-N 0 3 279.275 1.424 10 5 CDBEHN CC(COC(=O)[C@H](C)c1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000797281869 755285363 /nfs/dbraw/zinc/28/53/63/755285363.db2.gz QPFOZAVFVMOHRD-DTWKUNHWSA-N 0 3 281.264 1.727 10 5 CDBEHN CCN1CC[C@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000712593235 755698270 /nfs/dbraw/zinc/69/82/70/755698270.db2.gz XFKHNDDGXFOHPC-QMMMGPOBSA-N 0 3 252.274 1.202 10 5 CDBEHN CC(COC(=O)c1ccc(C(F)(F)F)cn1)[N+](=O)[O-] ZINC000813114419 756387258 /nfs/dbraw/zinc/38/72/58/756387258.db2.gz RHNIJXKVYGZVTH-LURJTMIESA-N 0 3 278.186 1.922 10 5 CDBEHN CCc1nn(C)c(CC)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813105132 756406948 /nfs/dbraw/zinc/40/69/48/756406948.db2.gz WBCVQEWNLYYNQK-SECBINFHSA-N 0 3 283.328 1.296 10 5 CDBEHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(Cl)n1 ZINC000813113773 757090394 /nfs/dbraw/zinc/09/03/94/757090394.db2.gz VKYNMCHLHRUWLI-ZETCQYMHSA-N 0 3 258.661 1.865 10 5 CDBEHN Cc1cnc(N[C@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000719620808 757184839 /nfs/dbraw/zinc/18/48/39/757184839.db2.gz AMEZQLHDSMRMMB-UWVGGRQHSA-N 0 3 250.302 1.803 10 5 CDBEHN CCn1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813115574 758179649 /nfs/dbraw/zinc/17/96/49/758179649.db2.gz VUHTWUSXZKGOEM-ZETCQYMHSA-N 0 3 255.274 1.342 10 5 CDBEHN COc1ccc(F)cc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813102029 758815448 /nfs/dbraw/zinc/81/54/48/758815448.db2.gz NHUDUSBLBOENEY-QMMMGPOBSA-N 0 3 271.244 1.585 10 5 CDBEHN CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C(C)(C)C1 ZINC001635809028 1166624133 /nfs/dbraw/zinc/62/41/33/1166624133.db2.gz MNYXWKUKRFWUNV-LBPRGKRZSA-N 0 3 294.355 1.393 10 5 CDBEHN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1(CO)CC1 ZINC000782598847 937255935 /nfs/dbraw/zinc/25/59/35/937255935.db2.gz IYICVLMGOXSBSK-CYBMUJFWSA-N 0 3 280.324 1.333 10 5 CDBEHN CN1C[C@@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590046942 342520967 /nfs/dbraw/zinc/52/09/67/342520967.db2.gz OSEPGRQBJOGYPG-GXTWGEPZSA-N 0 3 289.335 1.300 10 5 CDBEHN Cc1ccc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590047165 342521144 /nfs/dbraw/zinc/52/11/44/342521144.db2.gz WJQNXCBKYAWOTR-TZMCWYRMSA-N 0 3 289.335 1.679 10 5 CDBEHN CN1C[C@@H](NCc2ccc(Cl)c([N+](=O)[O-])c2)CCC1=O ZINC000096811853 185115882 /nfs/dbraw/zinc/11/58/82/185115882.db2.gz CUFVPXWDAOJNHD-JTQLQIEISA-N 0 3 297.742 1.959 10 5 CDBEHN N[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1F ZINC000595907500 343188952 /nfs/dbraw/zinc/18/89/52/343188952.db2.gz VZSHWFUMDUVFFC-GHMZBOCLSA-N 0 3 271.267 1.605 10 5 CDBEHN CC(C)[N@@H+]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596094176 343234456 /nfs/dbraw/zinc/23/44/56/343234456.db2.gz OOEKEEFCIZWJOA-VIFPVBQESA-N 0 3 266.301 1.590 10 5 CDBEHN CC(C)[N@H+]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596094176 343234458 /nfs/dbraw/zinc/23/44/58/343234458.db2.gz OOEKEEFCIZWJOA-VIFPVBQESA-N 0 3 266.301 1.590 10 5 CDBEHN CC[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000598536597 343828408 /nfs/dbraw/zinc/82/84/08/343828408.db2.gz UADQGRFAWFQABM-WCBMZHEXSA-N 0 3 283.353 1.869 10 5 CDBEHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C)N[C@@H](C)C2)c1 ZINC000599106560 343955600 /nfs/dbraw/zinc/95/56/00/343955600.db2.gz VPECWWRBSDSZGM-AOOOYVTPSA-N 0 3 293.323 1.568 10 5 CDBEHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000602889015 344636379 /nfs/dbraw/zinc/63/63/79/344636379.db2.gz PVPZXCZHLJVTIZ-IWIIMEHWSA-N 0 3 282.344 1.048 10 5 CDBEHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]1CCCO ZINC000052762642 345332101 /nfs/dbraw/zinc/33/21/01/345332101.db2.gz MMTJJUWQOVUPSU-LBPRGKRZSA-N 0 3 282.344 1.337 10 5 CDBEHN CC[C@@H](C)[C@@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943216 345584469 /nfs/dbraw/zinc/58/44/69/345584469.db2.gz XDWDZMXEDMLRMF-BXKDBHETSA-N 0 3 265.313 1.584 10 5 CDBEHN NCc1ccccc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000085810190 179177645 /nfs/dbraw/zinc/17/76/45/179177645.db2.gz HZUZYQRTLLRTHG-UHFFFAOYSA-N 0 3 260.253 1.634 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CNCC[C@H](C)O ZINC000085990931 179214721 /nfs/dbraw/zinc/21/47/21/179214721.db2.gz JGKTUVNRUYASQA-VIFPVBQESA-N 0 3 254.286 1.464 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN(CCO)CCCO ZINC000273383278 192134408 /nfs/dbraw/zinc/13/44/08/192134408.db2.gz CIUBFCGBPHWMEJ-UHFFFAOYSA-N 0 3 268.313 1.080 10 5 CDBEHN CC[C@H](NCCC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000036746797 362938017 /nfs/dbraw/zinc/93/80/17/362938017.db2.gz LHVPDAIXYDWFNP-NSHDSACASA-N 0 3 251.286 1.511 10 5 CDBEHN COC(=O)C(C)(C)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000091691530 180227612 /nfs/dbraw/zinc/22/76/12/180227612.db2.gz NVGIGSMEYUUVDQ-CYBMUJFWSA-N 0 3 266.297 1.968 10 5 CDBEHN Cc1cc(NC[C@H](O)CN2CCCCC2)ncc1[N+](=O)[O-] ZINC000173913532 188874350 /nfs/dbraw/zinc/87/43/50/188874350.db2.gz TZOMDLRSAIAAGU-LBPRGKRZSA-N 0 3 294.355 1.557 10 5 CDBEHN COc1ccc(CN[C@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000084087156 357446493 /nfs/dbraw/zinc/44/64/93/357446493.db2.gz YDDOGLFAWKUCQH-NSHDSACASA-N 0 3 293.323 1.314 10 5 CDBEHN COc1cccc([N+](=O)[O-])c1NC[C@H](C)N(C)C ZINC000566484093 357897537 /nfs/dbraw/zinc/89/75/37/357897537.db2.gz ZSEZQGPIZXLSDK-VIFPVBQESA-N 0 3 253.302 1.965 10 5 CDBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408153163 358202103 /nfs/dbraw/zinc/20/21/03/358202103.db2.gz IVSJSBGHYZTNSO-UWVGGRQHSA-N 0 3 278.312 1.232 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)[C@H](C)CO ZINC000450732223 358996524 /nfs/dbraw/zinc/99/65/24/358996524.db2.gz FJAUVWGZYLBCNB-GHMZBOCLSA-N 0 3 295.339 1.448 10 5 CDBEHN Cc1ccc(OC[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000080745204 359002186 /nfs/dbraw/zinc/00/21/86/359002186.db2.gz UTDXJHOEENYINZ-SNVBAGLBSA-N 0 3 252.270 1.270 10 5 CDBEHN C[C@H]1NC(=O)CC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000282196087 291185769 /nfs/dbraw/zinc/18/57/69/291185769.db2.gz CGFRWMDNFUUWBF-BXKDBHETSA-N 0 3 263.297 1.352 10 5 CDBEHN NCc1c(I)cccc1[N+](=O)[O-] ZINC000238611939 360474371 /nfs/dbraw/zinc/47/43/71/360474371.db2.gz XTQPQDBWSHUQJZ-UHFFFAOYSA-N 0 3 278.049 1.658 10 5 CDBEHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](C)CO ZINC000274051186 239051092 /nfs/dbraw/zinc/05/10/92/239051092.db2.gz PKHJYQGBSJDWPW-MXWKQRLJSA-N 0 3 295.339 1.528 10 5 CDBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](CC(N)=O)C1 ZINC000368571671 374317264 /nfs/dbraw/zinc/31/72/64/374317264.db2.gz FMXDCPYJRRGCAF-QWRGUYRKSA-N 0 3 277.324 1.853 10 5 CDBEHN COC(=O)c1cc(C)nc(N(C)CCN(C)C)c1[N+](=O)[O-] ZINC000288530867 197104130 /nfs/dbraw/zinc/10/41/30/197104130.db2.gz UOKUUZRUMILDNG-UHFFFAOYSA-N 0 3 296.327 1.083 10 5 CDBEHN CN[C@H]1CCC[C@@H]1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942600 177905204 /nfs/dbraw/zinc/90/52/04/177905204.db2.gz LFIXZJQNEVSQDL-ONGXEEELSA-N 0 3 284.337 1.509 10 5 CDBEHN CNC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000420980919 392924176 /nfs/dbraw/zinc/92/41/76/392924176.db2.gz VFUNBUFCTBJRRU-LLVKDONJSA-N 0 3 263.297 1.163 10 5 CDBEHN CN(CCN1CCCC1)c1ccc([N+](=O)[O-])nc1 ZINC000344434779 152530345 /nfs/dbraw/zinc/53/03/45/152530345.db2.gz LYRNAELSQNHWIR-UHFFFAOYSA-N 0 3 250.302 1.522 10 5 CDBEHN O=[N+]([O-])c1cccc(OCCN2C[C@H](O)C3(CC3)C2)c1 ZINC000372293847 160101708 /nfs/dbraw/zinc/10/17/08/160101708.db2.gz GUOGQMOZRLRFNY-ZDUSSCGKSA-N 0 3 278.308 1.430 10 5 CDBEHN CC[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000037386466 173169774 /nfs/dbraw/zinc/16/97/74/173169774.db2.gz OIWSDBTVKDKZNO-VIFPVBQESA-N 0 3 281.312 1.930 10 5 CDBEHN CN[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300210 175001076 /nfs/dbraw/zinc/00/10/76/175001076.db2.gz NUNRKESZPMSGRI-ZYHUDNBSSA-N 0 3 284.337 1.290 10 5 CDBEHN CCN[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C)C1=O ZINC000071034774 176024793 /nfs/dbraw/zinc/02/47/93/176024793.db2.gz DSTHXCOAQVZPKL-LLVKDONJSA-N 0 3 263.297 1.618 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](NC2CC2)C1=O ZINC000071034768 176025055 /nfs/dbraw/zinc/02/50/55/176025055.db2.gz CHWMEQDNZGPXRP-GFCCVEGCSA-N 0 3 275.308 1.761 10 5 CDBEHN CN(C[C@H]1CCN(C)C1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000071189325 176065026 /nfs/dbraw/zinc/06/50/26/176065026.db2.gz DFEWXZDSARUYIV-JTQLQIEISA-N 0 3 295.314 1.758 10 5 CDBEHN CC(C)N1CCO[C@H](CN)[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000070288644 519685919 /nfs/dbraw/zinc/68/59/19/519685919.db2.gz QAQUCUIYGBBXPU-PWSUYJOCSA-N 0 3 269.301 1.297 10 5 CDBEHN CC(C)N1CC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000049281866 519687608 /nfs/dbraw/zinc/68/76/08/519687608.db2.gz ZRFSXNDFCCTXMT-SNVBAGLBSA-N 0 3 250.302 1.884 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(O[C@H](CC)C(N)=O)c1 ZINC000061676061 520001490 /nfs/dbraw/zinc/00/14/90/520001490.db2.gz NNNXRGVKEHYBFZ-LLVKDONJSA-N 0 3 281.312 1.347 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(OC[C@H](O)COCC)c1 ZINC000069275847 520002529 /nfs/dbraw/zinc/00/25/29/520002529.db2.gz SKDJPULUQBHYAZ-GFCCVEGCSA-N 0 3 298.339 1.481 10 5 CDBEHN CCNC(=O)[C@@H](C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000049200746 521743664 /nfs/dbraw/zinc/74/36/64/521743664.db2.gz LNLCZWHFNHTIMF-SNVBAGLBSA-N 0 3 281.312 1.088 10 5 CDBEHN CN(C)CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443290 521789439 /nfs/dbraw/zinc/78/94/39/521789439.db2.gz YLTOJAPENZQJDZ-UHFFFAOYSA-N 0 3 257.721 1.899 10 5 CDBEHN CN[C@@](C)(C[C@@H](C)Oc1ccc(F)cc1[N+](=O)[O-])C(N)=O ZINC000068658374 522417139 /nfs/dbraw/zinc/41/71/39/522417139.db2.gz VMSWCMUFOGPCTJ-OQPBUACISA-N 0 3 299.302 1.355 10 5 CDBEHN CN[C@](C)(C[C@H](C)Oc1cc(C)ccc1[N+](=O)[O-])C(N)=O ZINC000068651074 522522840 /nfs/dbraw/zinc/52/28/40/522522840.db2.gz DSGAHJQJWIQMDC-IINYFYTJSA-N 0 3 295.339 1.524 10 5 CDBEHN CC[C@H](Oc1ccc([N+](=O)[O-])cc1CNC(C)C)C(N)=O ZINC000061675906 522875212 /nfs/dbraw/zinc/87/52/12/522875212.db2.gz QUFBQECOPIWITI-LBPRGKRZSA-N 0 3 295.339 1.736 10 5 CDBEHN CN1CCCC[C@@H]1CNC(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050708175 523796506 /nfs/dbraw/zinc/79/65/06/523796506.db2.gz KDDPFXMAJHYJBZ-LLVKDONJSA-N 0 3 292.339 1.391 10 5 CDBEHN C[C@@H](Oc1cc(CN)ccc1[N+](=O)[O-])C(=O)NC1CC1 ZINC000050516506 525915095 /nfs/dbraw/zinc/91/50/95/525915095.db2.gz QNANQHGSTPCCKP-MRVPVSSYSA-N 0 3 279.296 1.099 10 5 CDBEHN Cc1sc(C(=O)NOC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000773552028 575823978 /nfs/dbraw/zinc/82/39/78/575823978.db2.gz YEWAXHHHDOWCPO-UHFFFAOYSA-N 0 3 299.352 1.720 10 5 CDBEHN COc1ccc2c(c1)[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2 ZINC000813113931 617347669 /nfs/dbraw/zinc/34/76/69/617347669.db2.gz WLZHJQTWCNLCAW-JOYOIKCWSA-N 0 3 279.292 1.933 10 5 CDBEHN CNc1c(C(=O)N[C@H]2CCN(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000928433680 619074256 /nfs/dbraw/zinc/07/42/56/619074256.db2.gz BATBUXJAPLYDNS-ONGXEEELSA-N 0 3 292.339 1.459 10 5 CDBEHN COc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928457022 619121360 /nfs/dbraw/zinc/12/13/60/619121360.db2.gz NZPRMGNEZLCSDT-MWLCHTKSSA-N 0 3 293.323 1.426 10 5 CDBEHN CO[C@@](C)(CO)CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000848921937 768850290 /nfs/dbraw/zinc/85/02/90/768850290.db2.gz KBUFYTSJWITEQM-GFCCVEGCSA-N 0 3 288.731 1.735 10 5 CDBEHN O=[N+]([O-])c1cnn(CCNCc2ccnc(F)c2)c1 ZINC000858150559 768890810 /nfs/dbraw/zinc/89/08/10/768890810.db2.gz BBKHYGGEBPQJPA-UHFFFAOYSA-N 0 3 265.248 1.115 10 5 CDBEHN COc1cc(NC[C@@H]2CNCCO2)c([N+](=O)[O-])cc1OC ZINC000213711679 769826052 /nfs/dbraw/zinc/82/60/52/769826052.db2.gz ZICVYXCOYDDWBD-VIFPVBQESA-N 0 3 297.311 1.012 10 5 CDBEHN CC(COC(=O)[C@H]1CCN(c2ccccc2F)C1)[N+](=O)[O-] ZINC000813114256 771200757 /nfs/dbraw/zinc/20/07/57/771200757.db2.gz OLUNZDKHWOVCJT-QWRGUYRKSA-N 0 3 296.298 1.860 10 5 CDBEHN NC(=O)CC1CC(NCc2ccccc2[N+](=O)[O-])C1 ZINC000718399998 771295227 /nfs/dbraw/zinc/29/52/27/771295227.db2.gz SLNHSRUKHBWTNT-UHFFFAOYSA-N 0 3 263.297 1.338 10 5 CDBEHN CCOc1cccnc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110076 771501283 /nfs/dbraw/zinc/50/12/83/771501283.db2.gz ZERVPKUILLHDHY-MRVPVSSYSA-N 0 3 254.242 1.302 10 5 CDBEHN CC(COC(=O)c1cncc(C(F)(F)F)c1)[N+](=O)[O-] ZINC000813102621 771708359 /nfs/dbraw/zinc/70/83/59/771708359.db2.gz TZBYZJVJISOLFN-ZCFIWIBFSA-N 0 3 278.186 1.922 10 5 CDBEHN CC(COC(=O)C1(c2ccc(N(C)C)cc2)CC1)[N+](=O)[O-] ZINC000816091255 771831546 /nfs/dbraw/zinc/83/15/46/771831546.db2.gz PNFZIHBURNHSEB-NSHDSACASA-N 0 3 292.335 1.993 10 5 CDBEHN C[C@H](NC[C@H]1CNC(=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872079377 771831881 /nfs/dbraw/zinc/83/18/81/771831881.db2.gz MJHTYZSNSVSODT-IUCAKERBSA-N 0 3 281.287 1.521 10 5 CDBEHN CSCc1cccnc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102250 771897115 /nfs/dbraw/zinc/89/71/15/771897115.db2.gz CPFYHCQUPRFXPZ-MRVPVSSYSA-N 0 3 270.310 1.767 10 5 CDBEHN CC1(C)[C@H](O)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000812867320 772311967 /nfs/dbraw/zinc/31/19/67/772311967.db2.gz KGKCOZFBBKZZMN-QWHCGFSZSA-N 0 3 280.324 1.473 10 5 CDBEHN CCOc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813110675 772754776 /nfs/dbraw/zinc/75/47/76/772754776.db2.gz HJCSJLRNXJFLLO-VIFPVBQESA-N 0 3 253.254 1.907 10 5 CDBEHN CC(COC(=O)Cc1ccc([S@@](C)=O)cc1)[N+](=O)[O-] ZINC000813113364 773112574 /nfs/dbraw/zinc/11/25/74/773112574.db2.gz ZNMCOCMHZZMPLC-AYLIAGHASA-N 0 3 285.321 1.175 10 5 CDBEHN Cc1nc(N2CCN[C@@H](c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001187686704 920602789 /nfs/dbraw/zinc/60/27/89/920602789.db2.gz QXOJOOUXEDZVKV-CYBMUJFWSA-N 0 3 299.334 1.844 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928438530 933145300 /nfs/dbraw/zinc/14/53/00/933145300.db2.gz FXRODTVRAYXNQI-SKDRFNHKSA-N 0 3 293.323 1.426 10 5 CDBEHN O=[N+]([O-])c1ccc(CNCCOCCCO)cc1Cl ZINC001324426758 953385753 /nfs/dbraw/zinc/38/57/53/953385753.db2.gz RDRGCBCQVHCVPO-UHFFFAOYSA-N 0 3 288.731 1.737 10 5 CDBEHN CN(CCNc1cc(N)c([N+](=O)[O-])c(CO)c1)C1CC1 ZINC000587473009 342483983 /nfs/dbraw/zinc/48/39/83/342483983.db2.gz GLJVGUDXYPLWLF-UHFFFAOYSA-N 0 3 280.328 1.175 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590446432 342546743 /nfs/dbraw/zinc/54/67/43/342546743.db2.gz VEVDAKZHCXOYCB-TZMCWYRMSA-N 0 3 289.335 1.300 10 5 CDBEHN O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000593727472 342829628 /nfs/dbraw/zinc/82/96/28/342829628.db2.gz LNUPHPVWTGMEIF-TXEJJXNPSA-N 0 3 291.351 1.732 10 5 CDBEHN CN1CCNC[C@@H]1c1noc(-c2ccc([N+](=O)[O-])s2)n1 ZINC000263153269 362090488 /nfs/dbraw/zinc/09/04/88/362090488.db2.gz DEJPJARUCAPCLU-SSDOTTSWSA-N 0 3 295.324 1.282 10 5 CDBEHN COc1cccc([N+](=O)[O-])c1N1C[C@H]2CCC[C@@H](C1)N2 ZINC000596016984 343219704 /nfs/dbraw/zinc/21/97/04/343219704.db2.gz XTHIABGBXPSIKP-PHIMTYICSA-N 0 3 277.324 1.934 10 5 CDBEHN O=[N+]([O-])c1cccc(CNC[C@H](O)[C@H]2CCCO2)c1 ZINC000598989012 343935547 /nfs/dbraw/zinc/93/55/47/343935547.db2.gz XPESXSPTATWJLL-QWHCGFSZSA-N 0 3 266.297 1.224 10 5 CDBEHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H](O)[C@@H]1CCCO1 ZINC000599065405 343948144 /nfs/dbraw/zinc/94/81/44/343948144.db2.gz LFTXRSJPGVNJEE-CFVMTHIKSA-N 0 3 292.335 1.712 10 5 CDBEHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]2CCC[C@]2(CO)C1 ZINC000602914505 344647494 /nfs/dbraw/zinc/64/74/94/344647494.db2.gz FSEGOIBTPRLEMG-GXTWGEPZSA-N 0 3 294.355 1.194 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CN(C)C[C@H]1C ZINC000344219227 362557530 /nfs/dbraw/zinc/55/75/30/362557530.db2.gz NTIVUBAOMQJBSH-ZWNOBZJWSA-N 0 3 279.340 1.643 10 5 CDBEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000152908685 188052113 /nfs/dbraw/zinc/05/21/13/188052113.db2.gz LJJYDGGDXJZTHU-VIFPVBQESA-N 0 3 283.332 1.024 10 5 CDBEHN CC1(C)[C@H](O)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000361425382 358177584 /nfs/dbraw/zinc/17/75/84/358177584.db2.gz FKSQSEUKRJMLGW-CYBMUJFWSA-N 0 3 280.324 1.819 10 5 CDBEHN CCOCCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347788885 359647900 /nfs/dbraw/zinc/64/79/00/359647900.db2.gz KAUUGTOYZICDOZ-UHFFFAOYSA-N 0 3 265.313 1.775 10 5 CDBEHN CN(C)[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000170863132 369978584 /nfs/dbraw/zinc/97/85/84/369978584.db2.gz IOMIOHJNXISQKH-LBPRGKRZSA-N 0 3 277.324 1.300 10 5 CDBEHN CN(C)[C@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000170863655 369979340 /nfs/dbraw/zinc/97/93/40/369979340.db2.gz NZMJHCVJRVOORH-NSHDSACASA-N 0 3 293.323 1.136 10 5 CDBEHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000531887495 374513791 /nfs/dbraw/zinc/51/37/91/374513791.db2.gz YGSJLTJWRYVCAP-NXEZZACHSA-N 0 3 290.323 1.345 10 5 CDBEHN CCN1CC[C@@H](Nc2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000389397244 374717444 /nfs/dbraw/zinc/71/74/44/374717444.db2.gz JZTZLOROCKVQIF-SECBINFHSA-N 0 3 253.306 1.143 10 5 CDBEHN COC[C@@](C)(O)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000449383643 374804198 /nfs/dbraw/zinc/80/41/98/374804198.db2.gz IYMRGUGEHPFQKT-AWEZNQCLSA-N 0 3 282.340 1.780 10 5 CDBEHN O=[N+]([O-])c1ccc(CCN2CCSC[C@H]2CCO)cc1 ZINC000347539803 376366585 /nfs/dbraw/zinc/36/65/85/376366585.db2.gz UDORAZOMEYXCJS-CQSZACIVSA-N 0 3 296.392 1.937 10 5 CDBEHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1C ZINC000266032429 190224766 /nfs/dbraw/zinc/22/47/66/190224766.db2.gz AGLNFGHVPRZKQC-NXEZZACHSA-N 0 3 280.328 1.478 10 5 CDBEHN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN2CCC[C@H]2C1 ZINC000173575603 378645789 /nfs/dbraw/zinc/64/57/89/378645789.db2.gz WDLOASSQDUDXRS-AWEZNQCLSA-N 0 3 289.335 1.444 10 5 CDBEHN COC[C@@H](O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544104 390631755 /nfs/dbraw/zinc/63/17/55/390631755.db2.gz DRWWXRODUGNXAL-HIFRSBDPSA-N 0 3 294.351 1.782 10 5 CDBEHN C[C@H](N[C@H]1CCc2ncnn2C1)c1ccc([N+](=O)[O-])cc1 ZINC000178223302 390846810 /nfs/dbraw/zinc/84/68/10/390846810.db2.gz UXIJGZYXCARIMF-JQWIXIFHSA-N 0 3 287.323 1.852 10 5 CDBEHN CCN1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000048753428 391376060 /nfs/dbraw/zinc/37/60/60/391376060.db2.gz IRWGACJQEDYEBG-LBPRGKRZSA-N 0 3 277.324 1.809 10 5 CDBEHN CN(C)C[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000263910404 131358569 /nfs/dbraw/zinc/35/85/69/131358569.db2.gz JPBPUDPMWFBRTC-ZDUSSCGKSA-N 0 3 277.324 1.761 10 5 CDBEHN CCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532397304 393072954 /nfs/dbraw/zinc/07/29/54/393072954.db2.gz ABNWXRZLYFNVOV-JTQLQIEISA-N 0 3 278.312 1.204 10 5 CDBEHN CCN1CCC[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183630496 148310987 /nfs/dbraw/zinc/31/09/87/148310987.db2.gz XDHXGMLUEWKSKF-SNVBAGLBSA-N 0 3 293.327 1.596 10 5 CDBEHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CCN(C)C2)n1 ZINC000359079533 158120307 /nfs/dbraw/zinc/12/03/07/158120307.db2.gz BUJIZFNFGDFYKY-NSHDSACASA-N 0 3 264.329 1.970 10 5 CDBEHN CO[C@H]1CN[C@@H](C(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000040632950 174359453 /nfs/dbraw/zinc/35/94/53/174359453.db2.gz RLJSFSYCLKYHRH-PSASIEDQSA-N 0 3 299.714 1.564 10 5 CDBEHN CO[C@@H]1CN[C@H](C(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000040632953 174359503 /nfs/dbraw/zinc/35/95/03/174359503.db2.gz RLJSFSYCLKYHRH-WPRPVWTQSA-N 0 3 299.714 1.564 10 5 CDBEHN O=C(CNCCc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000040676136 174373769 /nfs/dbraw/zinc/37/37/69/174373769.db2.gz XZNLWMCTMQIDDI-UHFFFAOYSA-N 0 3 277.324 1.349 10 5 CDBEHN COc1cc(CN)c([N+](=O)[O-])cc1OCC(=O)OC(C)C ZINC000043446023 175048319 /nfs/dbraw/zinc/04/83/19/175048319.db2.gz XDPKCEXBKIXOJL-UHFFFAOYSA-N 0 3 298.295 1.393 10 5 CDBEHN CNCc1cc([N+](=O)[O-])ccc1O[C@H](C)C(=O)OC ZINC000043625105 175081440 /nfs/dbraw/zinc/08/14/40/175081440.db2.gz CLHXPVUZOWBXNV-MRVPVSSYSA-N 0 3 268.269 1.255 10 5 CDBEHN Cc1c([N+](=O)[O-])ccc(=O)n1C1CCN(C)CC1 ZINC000071526795 176194464 /nfs/dbraw/zinc/19/44/64/176194464.db2.gz GPLKBCKLJFIAJY-UHFFFAOYSA-N 0 3 251.286 1.332 10 5 CDBEHN C[C@H]1[C@@H](CO)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000395211492 270342051 /nfs/dbraw/zinc/34/20/51/270342051.db2.gz QGYWNGHCLUZFBL-CMPLNLGQSA-N 0 3 250.298 1.798 10 5 CDBEHN C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CCN1 ZINC000122718499 274360883 /nfs/dbraw/zinc/36/08/83/274360883.db2.gz FGQUMUQLOOIYTG-SNVBAGLBSA-N 0 3 272.308 1.941 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(N2CCCN(C3CC3)CC2)n1 ZINC000178201225 281011121 /nfs/dbraw/zinc/01/11/21/281011121.db2.gz NZGVCQXMBCPMKM-UHFFFAOYSA-N 0 3 276.340 1.973 10 5 CDBEHN Cc1cnc(N2C[C@@H]3CCCN3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000408240510 482482461 /nfs/dbraw/zinc/48/24/61/482482461.db2.gz NLJKNYCKBYARIX-RYUDHWBXSA-N 0 3 276.340 1.971 10 5 CDBEHN COCC[C@H](N)C(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000052792400 521946492 /nfs/dbraw/zinc/94/64/92/521946492.db2.gz YBICNTJJQICKPZ-VIFPVBQESA-N 0 3 267.285 1.206 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(OCC(=O)NC(C)C)c1 ZINC000050517021 520001471 /nfs/dbraw/zinc/00/14/71/520001471.db2.gz SSZHZIYJIHESHC-UHFFFAOYSA-N 0 3 295.339 1.608 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(O[C@@H](C)C(=O)N(C)C)c1 ZINC000050516997 520001929 /nfs/dbraw/zinc/00/19/29/520001929.db2.gz MAVNWFDYVKGHGL-JTQLQIEISA-N 0 3 295.339 1.560 10 5 CDBEHN COCC[C@@H](N)C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000052792524 521826694 /nfs/dbraw/zinc/82/66/94/521826694.db2.gz IGYMTKIXSYLURK-MRVPVSSYSA-N 0 3 289.238 1.175 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(O[C@@H](C)C(=O)N(C)C)c1 ZINC000050516807 522125459 /nfs/dbraw/zinc/12/54/59/522125459.db2.gz PMTLDLCCVCHEOU-VIFPVBQESA-N 0 3 281.312 1.170 10 5 CDBEHN CN[C@H](CCOc1cc([N+](=O)[O-])ccc1Cl)C(N)=O ZINC000069508034 522462231 /nfs/dbraw/zinc/46/22/31/522462231.db2.gz LIRXIMIDEQSZAC-SECBINFHSA-N 0 3 287.703 1.090 10 5 CDBEHN COC[C@H](O)COc1cc(CNC(C)C)ccc1[N+](=O)[O-] ZINC000069053785 522807300 /nfs/dbraw/zinc/80/73/00/522807300.db2.gz ACHWUPQWWUUTFU-LBPRGKRZSA-N 0 3 298.339 1.479 10 5 CDBEHN CC[C@@H](O)COc1cc(CNCCOC)ccc1[N+](=O)[O-] ZINC000062733380 523008006 /nfs/dbraw/zinc/00/80/06/523008006.db2.gz SILURGCFYZGPAA-GFCCVEGCSA-N 0 3 298.339 1.481 10 5 CDBEHN C[C@@H](C[C@@](C)(N)C(N)=O)Oc1ccc([N+](=O)[O-])cc1F ZINC000068651447 524851403 /nfs/dbraw/zinc/85/14/03/524851403.db2.gz JZPXNITWHSOQKL-JVXZTZIISA-N 0 3 285.275 1.094 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1[C@@H](C)CNC[C@@H]1C ZINC000069132537 525560485 /nfs/dbraw/zinc/56/04/85/525560485.db2.gz UBFBVXGVDUCLKZ-QWRGUYRKSA-N 0 3 277.324 1.726 10 5 CDBEHN Nc1ccc([N+](=O)[O-])cc1CN1CCN(CC2CC2)CC1 ZINC000050818120 527504524 /nfs/dbraw/zinc/50/45/24/527504524.db2.gz UYRFGJNLWPTTSQ-UHFFFAOYSA-N 0 3 290.367 1.705 10 5 CDBEHN CCCC[C@@H](NC(=O)NCC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813111476 617346264 /nfs/dbraw/zinc/34/62/64/617346264.db2.gz IEACFPBKUVRSJP-VHSXEESVSA-N 0 3 289.332 1.073 10 5 CDBEHN Cc1ccc(C(=O)N[C@@H]2CN(C)CC2(C)C)cc1[N+](=O)[O-] ZINC001646373529 1167820660 /nfs/dbraw/zinc/82/06/60/1167820660.db2.gz ZFUXVFCYALQOPA-CYBMUJFWSA-N 0 3 291.351 1.973 10 5 CDBEHN Cc1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001587559638 1172991745 /nfs/dbraw/zinc/99/17/45/1172991745.db2.gz GTYYKBSFJQIIOR-LLVKDONJSA-N 0 3 291.351 1.861 10 5 CDBEHN COc1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813103005 773880766 /nfs/dbraw/zinc/88/07/66/773880766.db2.gz XZPIGRSQTLLLNF-VIFPVBQESA-N 0 3 253.254 1.446 10 5 CDBEHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC3(COC3)C2)c1 ZINC000852682886 774071631 /nfs/dbraw/zinc/07/16/31/774071631.db2.gz BIVHNCHQEVOOPX-CYBMUJFWSA-N 0 3 278.308 1.351 10 5 CDBEHN CC(COC(=O)c1ccc(Br)o1)[N+](=O)[O-] ZINC000813111711 775609252 /nfs/dbraw/zinc/60/92/52/775609252.db2.gz WFQXFBFIIOLJHD-YFKPBYRVSA-N 0 3 278.058 1.864 10 5 CDBEHN CCOc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813113567 776615371 /nfs/dbraw/zinc/61/53/71/776615371.db2.gz GGTPTKKQHXACID-JTQLQIEISA-N 0 3 267.281 1.836 10 5 CDBEHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCN(C)[C@H]1C ZINC000719628431 777399048 /nfs/dbraw/zinc/39/90/48/777399048.db2.gz ZGNBAYZETYPGMY-WCBMZHEXSA-N 0 3 267.333 1.624 10 5 CDBEHN C[C@H](C(=O)N[C@H]1CCN(C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000928444807 777513541 /nfs/dbraw/zinc/51/35/41/777513541.db2.gz VBWMQYFETUVEHY-MJVIPROJSA-N 0 3 291.351 1.907 10 5 CDBEHN CC(COC(=O)c1ccc(N(C)C)cc1F)[N+](=O)[O-] ZINC000813107272 778122584 /nfs/dbraw/zinc/12/25/84/778122584.db2.gz OHEJZMZGKRBXIS-MRVPVSSYSA-N 0 3 270.260 1.714 10 5 CDBEHN CC(COC(=O)c1cccc2c1OCO2)[N+](=O)[O-] ZINC000813105386 778571426 /nfs/dbraw/zinc/57/14/26/778571426.db2.gz YNKLJXBFNHEVEF-SSDOTTSWSA-N 0 3 253.210 1.237 10 5 CDBEHN CC(C)(F)CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000872217575 778802636 /nfs/dbraw/zinc/80/26/36/778802636.db2.gz ZYSDIKSXPHMKCW-LLVKDONJSA-N 0 3 256.277 1.966 10 5 CDBEHN CC(COC(=O)c1cc(Cc2ccccc2)[nH]n1)[N+](=O)[O-] ZINC000813113247 779542660 /nfs/dbraw/zinc/54/26/60/779542660.db2.gz XYBVIUIMULKCQD-SNVBAGLBSA-N 0 3 289.291 1.823 10 5 CDBEHN O=[N+]([O-])c1ccccc1N1CC(N[C@@H]2CCOC2)C1 ZINC001472888392 968969177 /nfs/dbraw/zinc/96/91/77/968969177.db2.gz IMRWIOXZXIYEGC-SNVBAGLBSA-N 0 3 263.297 1.162 10 5 CDBEHN CC(C)N(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000533045569 282079705 /nfs/dbraw/zinc/07/97/05/282079705.db2.gz TUHNLBQKKZXXEF-UHFFFAOYSA-N 0 3 280.328 1.402 10 5 CDBEHN C[C@H](CO)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000586773206 342468363 /nfs/dbraw/zinc/46/83/63/342468363.db2.gz NPEUBUVIRNRWIQ-NSHDSACASA-N 0 3 252.314 1.698 10 5 CDBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C)[C@@H](C)CO)c1 ZINC000589506810 342508149 /nfs/dbraw/zinc/50/81/49/342508149.db2.gz WCGSDQPGDRUTLR-VHSXEESVSA-N 0 3 296.323 1.488 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2CN(C)C[C@@H]21 ZINC000590009513 342519137 /nfs/dbraw/zinc/51/91/37/342519137.db2.gz SHCATTMFOWUTTN-FZMZJTMJSA-N 0 3 291.351 1.739 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590011961 342519759 /nfs/dbraw/zinc/51/97/59/342519759.db2.gz NRGFTQHEIBHQAK-RISCZKNCSA-N 0 3 291.351 1.739 10 5 CDBEHN CN1C[C@H]2CCN(Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000590011702 342519836 /nfs/dbraw/zinc/51/98/36/342519836.db2.gz MNKKCVQBVQMIJE-OCCSQVGLSA-N 0 3 261.325 1.731 10 5 CDBEHN COc1ncncc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000592363636 342689290 /nfs/dbraw/zinc/68/92/90/342689290.db2.gz ZIZXKOQYKJJJBI-UHFFFAOYSA-N 0 3 288.307 1.726 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNCC[C@@]1(O)CCCOC1 ZINC000593688458 342823148 /nfs/dbraw/zinc/82/31/48/342823148.db2.gz SFNGJQCNIHYNOO-HNNXBMFYSA-N 0 3 294.351 1.924 10 5 CDBEHN C[C@@H]1CCN(CC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000594246150 342881977 /nfs/dbraw/zinc/88/19/77/342881977.db2.gz MWHGBGZYWRFMDG-GFCCVEGCSA-N 0 3 291.351 1.595 10 5 CDBEHN CO[C@@](C)(CO)CNCc1ccc([N+](=O)[O-])cc1C ZINC000594508567 342914670 /nfs/dbraw/zinc/91/46/70/342914670.db2.gz DCQWEDZYGWQKEC-CYBMUJFWSA-N 0 3 268.313 1.390 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN[C@H]1C[C@@H](O)C12CCC2 ZINC000594988779 342994150 /nfs/dbraw/zinc/99/41/50/342994150.db2.gz RPIVQQSEJIUOIE-QWHCGFSZSA-N 0 3 262.309 1.988 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@@H]2C[C@H](O)C23CCC3)cc1 ZINC000594988644 342994044 /nfs/dbraw/zinc/99/40/44/342994044.db2.gz RKORMWILKZSZBE-OLZOCXBDSA-N 0 3 262.309 1.988 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000108329766 349735560 /nfs/dbraw/zinc/73/55/60/349735560.db2.gz ZTQZBZRMNZWHEU-LLVKDONJSA-N 0 3 292.339 1.370 10 5 CDBEHN C[C@@]12COC[C@@H]1CN(CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000595758410 343143228 /nfs/dbraw/zinc/14/32/28/343143228.db2.gz MWFVIQOJWHMNPG-SWLSCSKDSA-N 0 3 292.335 1.942 10 5 CDBEHN C[NH+](C)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596079685 343227584 /nfs/dbraw/zinc/22/75/84/343227584.db2.gz VXHDESRLHOUPPA-UHFFFAOYSA-N 0 3 266.301 1.226 10 5 CDBEHN Cc1cc([N+](=O)[O-])cnc1N1CCc2nccc(N)c2C1 ZINC000598944117 343924759 /nfs/dbraw/zinc/92/47/59/343924759.db2.gz XAEZUSTWTYRYRU-UHFFFAOYSA-N 0 3 285.307 1.838 10 5 CDBEHN Cc1ccc([C@H](C)N[C@H]2C[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000599071013 343948770 /nfs/dbraw/zinc/94/87/70/343948770.db2.gz OXEFKSLMUFOMGT-DLOVCJGASA-N 0 3 277.324 1.818 10 5 CDBEHN O=[N+]([O-])c1ccc(OCCN2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1 ZINC000599680335 344117895 /nfs/dbraw/zinc/11/78/95/344117895.db2.gz AAJRSKLRPHPXEQ-NILFDRSVSA-N 0 3 292.335 1.819 10 5 CDBEHN CC(C)(F)CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000601968216 344298572 /nfs/dbraw/zinc/29/85/72/344298572.db2.gz MXPULBDJKZDSOH-JTQLQIEISA-N 0 3 286.303 1.672 10 5 CDBEHN C[C@H](CO)[C@H](C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000265851768 362615497 /nfs/dbraw/zinc/61/54/97/362615497.db2.gz IEWVWCNRFJNIDL-ZJUUUORDSA-N 0 3 296.323 1.568 10 5 CDBEHN C[C@H](NCCc1nnnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000611304401 346743025 /nfs/dbraw/zinc/74/30/25/346743025.db2.gz GVPHQLMIHWQMLL-VIFPVBQESA-N 0 3 276.300 1.012 10 5 CDBEHN CCN1CCN(CCCNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000344433654 362777067 /nfs/dbraw/zinc/77/70/67/362777067.db2.gz JLGSOPSYYYMZQX-UHFFFAOYSA-N 0 3 293.371 1.429 10 5 CDBEHN CN1CCO[C@@H](CNCc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000105472022 186058592 /nfs/dbraw/zinc/05/85/92/186058592.db2.gz OEGIWLLOXFDFLW-NSHDSACASA-N 0 3 299.758 1.668 10 5 CDBEHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](C)N(C)C)n1 ZINC000450823466 359009879 /nfs/dbraw/zinc/00/98/79/359009879.db2.gz VHTCVMVNVMOWKX-JTQLQIEISA-N 0 3 252.318 1.969 10 5 CDBEHN O=C1NCCC[C@@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000050396093 359440287 /nfs/dbraw/zinc/44/02/87/359440287.db2.gz OUYKJTKDGSTUTI-LBPRGKRZSA-N 0 3 263.297 1.006 10 5 CDBEHN CN(C[C@H]1CCCN(C)C1)c1cc(CO)ccc1[N+](=O)[O-] ZINC000302042516 201315578 /nfs/dbraw/zinc/31/55/78/201315578.db2.gz OCKSZSAMDOVCEP-ZDUSSCGKSA-N 0 3 293.367 1.865 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CC[C@]3(C2)CCCOC3)c1 ZINC000367073132 364730967 /nfs/dbraw/zinc/73/09/67/364730967.db2.gz IVEFIRXQKMSPJX-ZDUSSCGKSA-N 0 3 280.328 1.294 10 5 CDBEHN CC(C)(C)C1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000414137002 241082541 /nfs/dbraw/zinc/08/25/41/241082541.db2.gz FYKUDSNZYYYJSU-LBPRGKRZSA-N 0 3 282.344 1.130 10 5 CDBEHN COc1ccc(OCCN(C)CCCCO)c([N+](=O)[O-])c1 ZINC000276374082 193305136 /nfs/dbraw/zinc/30/51/36/193305136.db2.gz KLIVZOQNDFMKQC-UHFFFAOYSA-N 0 3 298.339 1.687 10 5 CDBEHN O=[N+]([O-])c1cccc(F)c1CN1CC[C@H](c2nc[nH]n2)C1 ZINC000425546073 374442810 /nfs/dbraw/zinc/44/28/10/374442810.db2.gz KNXBRRIPVXIEFR-VIFPVBQESA-N 0 3 291.286 1.842 10 5 CDBEHN CN1CC[C@H](CNCc2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000424182631 246373774 /nfs/dbraw/zinc/37/37/74/246373774.db2.gz AOZBPWHIMDPTCO-JTQLQIEISA-N 0 3 295.314 1.692 10 5 CDBEHN C[C@@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000330543018 374862727 /nfs/dbraw/zinc/86/27/27/374862727.db2.gz AQELQVCADHHUQB-LLVKDONJSA-N 0 3 294.355 1.538 10 5 CDBEHN NC(=O)CC1(NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000351498145 375303115 /nfs/dbraw/zinc/30/31/15/375303115.db2.gz AKDGKROMDUYGNO-UHFFFAOYSA-N 0 3 263.297 1.483 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@@H]2CNCCC2(F)F)c(F)c1 ZINC000415010860 391720194 /nfs/dbraw/zinc/72/01/94/391720194.db2.gz ZBKQDRQTNOPKBO-LLVKDONJSA-N 0 3 289.257 1.821 10 5 CDBEHN CCN1CCCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302073493 393195862 /nfs/dbraw/zinc/19/58/62/393195862.db2.gz WTGBYGWUYVPTAJ-UHFFFAOYSA-N 0 3 279.340 1.619 10 5 CDBEHN CNC(=O)[C@H](C)CN(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352541079 155259004 /nfs/dbraw/zinc/25/90/04/155259004.db2.gz TXWPLAKHTBLFQZ-SNVBAGLBSA-N 0 3 295.339 1.417 10 5 CDBEHN CN(C)C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000362512154 159165149 /nfs/dbraw/zinc/16/51/49/159165149.db2.gz JELXYRMOAZOIHU-JTQLQIEISA-N 0 3 280.328 1.100 10 5 CDBEHN C[C@@H](CO)[C@@H](C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000273959312 286883619 /nfs/dbraw/zinc/88/36/19/286883619.db2.gz GFQOQABADNHREY-WDEREUQCSA-N 0 3 295.339 1.164 10 5 CDBEHN COC(=O)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000037252072 173064036 /nfs/dbraw/zinc/06/40/36/173064036.db2.gz LQASWYDYZBEZED-UHFFFAOYSA-N 0 3 252.270 1.556 10 5 CDBEHN C[C@H](NC[C@@H]1COCCO1)c1ccccc1[N+](=O)[O-] ZINC000038060110 174070235 /nfs/dbraw/zinc/07/02/35/174070235.db2.gz OUKHBKHPSLAGGG-WDEREUQCSA-N 0 3 266.297 1.661 10 5 CDBEHN CO[C@@H]1CN[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000040633270 174359592 /nfs/dbraw/zinc/35/95/92/174359592.db2.gz KQRACUWHGAAWMW-ONGXEEELSA-N 0 3 279.296 1.219 10 5 CDBEHN CCN[C@@H](c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000043300917 175001523 /nfs/dbraw/zinc/00/15/23/175001523.db2.gz GCKJDHUEZFKMCX-ZWNOBZJWSA-N 0 3 298.364 1.680 10 5 CDBEHN C[NH2+]CCS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl ZINC000043493344 175057728 /nfs/dbraw/zinc/05/77/28/175057728.db2.gz XYYDLRMTBHJORW-UHFFFAOYSA-N 0 3 293.732 1.209 10 5 CDBEHN CCOC(=O)[C@@H](C)CNCc1ccc([N+](=O)[O-])cc1 ZINC000043613293 175078906 /nfs/dbraw/zinc/07/89/06/175078906.db2.gz VELOAXLXIKHGRQ-JTQLQIEISA-N 0 3 266.297 1.884 10 5 CDBEHN Cc1c(CN2CCCN(CCO)CC2)cccc1[N+](=O)[O-] ZINC000071350593 176133645 /nfs/dbraw/zinc/13/36/45/176133645.db2.gz MTIPHGSORUINIQ-UHFFFAOYSA-N 0 3 293.367 1.403 10 5 CDBEHN C[C@@H]1CC[C@@H](O)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000399168393 270369713 /nfs/dbraw/zinc/36/97/13/270369713.db2.gz BYRQXXSFKIEQBR-ZWNOBZJWSA-N 0 3 250.298 1.940 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C(N)=O)CC[C@H]1C ZINC000248571622 280365029 /nfs/dbraw/zinc/36/50/29/280365029.db2.gz CRQBFSRRMRDDDG-DGCLKSJQSA-N 0 3 291.351 1.989 10 5 CDBEHN O=[N+]([O-])c1ccccc1NC[C@H](O)CN1CCCCC1 ZINC000048559768 280376031 /nfs/dbraw/zinc/37/60/31/280376031.db2.gz ZHBCTHVKBDYSBK-LBPRGKRZSA-N 0 3 279.340 1.854 10 5 CDBEHN CC(C)(C)NCc1cc([N+](=O)[O-])ccc1OCCC(N)=O ZINC000062732005 518763467 /nfs/dbraw/zinc/76/34/67/518763467.db2.gz ZLMUUMUGKBNQKX-UHFFFAOYSA-N 0 3 295.339 1.737 10 5 CDBEHN CCNCc1cc([N+](=O)[O-])ccc1O[C@H](CC)C(N)=O ZINC000061675903 519992762 /nfs/dbraw/zinc/99/27/62/519992762.db2.gz POUWHBUQTBDLRC-LLVKDONJSA-N 0 3 281.312 1.347 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(O[C@@H](C)C(=O)NC(C)C)c1 ZINC000050516817 522125185 /nfs/dbraw/zinc/12/51/85/522125185.db2.gz ZFBAQTVRNWQCAD-JTQLQIEISA-N 0 3 295.339 1.606 10 5 CDBEHN CN[C@@](C)(C[C@H](C)Oc1ccc([N+](=O)[O-])c(C)c1)C(N)=O ZINC000068651116 522418653 /nfs/dbraw/zinc/41/86/53/522418653.db2.gz QUIVTHQTGROGDI-HZMBPMFUSA-N 0 3 295.339 1.524 10 5 CDBEHN CN[C@](C)(C[C@H](C)Oc1ccc(C)cc1[N+](=O)[O-])C(N)=O ZINC000068652101 522524033 /nfs/dbraw/zinc/52/40/33/522524033.db2.gz KUVCFNFBUYCESX-IINYFYTJSA-N 0 3 295.339 1.524 10 5 CDBEHN CN1CCCN(Cc2cc([N+](=O)[O-])ccc2N)CC1 ZINC000050812362 523809276 /nfs/dbraw/zinc/80/92/76/523809276.db2.gz GBEQRZYGIWHKPJ-UHFFFAOYSA-N 0 3 264.329 1.315 10 5 CDBEHN CCc1ccc(NC(=O)[C@H](N)CCOC)cc1[N+](=O)[O-] ZINC000052792747 523989915 /nfs/dbraw/zinc/98/99/15/523989915.db2.gz YZBWFIRUYRPEIQ-LLVKDONJSA-N 0 3 281.312 1.460 10 5 CDBEHN C[C@@H](C[C@@](C)(N)C(N)=O)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000068651172 524852689 /nfs/dbraw/zinc/85/26/89/524852689.db2.gz OMXSFEWELLWJDH-JVXZTZIISA-N 0 3 285.275 1.094 10 5 CDBEHN C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000187691343 524962097 /nfs/dbraw/zinc/96/20/97/524962097.db2.gz DTWDAEMFXOWVGJ-CYBMUJFWSA-N 0 3 293.367 1.136 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(O[C@H](C)C[C@](C)(N)C(N)=O)c1 ZINC000068651061 526064340 /nfs/dbraw/zinc/06/43/40/526064340.db2.gz WICDRNCQZKNFNS-RNCFNFMXSA-N 0 3 281.312 1.263 10 5 CDBEHN O=C(Nc1ccc2c(c1)CNCC2)c1cc([N+](=O)[O-])c[nH]1 ZINC000069052520 527279313 /nfs/dbraw/zinc/27/93/13/527279313.db2.gz CPABETVWQPGICA-UHFFFAOYSA-N 0 3 286.291 1.821 10 5 CDBEHN CCn1cc([N+](=O)[O-])c(C(=O)NC2(CN(C)C)CCC2)n1 ZINC000342027617 536092584 /nfs/dbraw/zinc/09/25/84/536092584.db2.gz WAEYLXFIOPSJGP-UHFFFAOYSA-N 0 3 295.343 1.025 10 5 CDBEHN Cc1noc(C)c1[C@@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813102242 617342166 /nfs/dbraw/zinc/34/21/66/617342166.db2.gz CKSCHDITKWWVOP-JGVFFNPUSA-N 0 3 270.285 1.993 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928451486 619103461 /nfs/dbraw/zinc/10/34/61/619103461.db2.gz LHLFMKWAVLDYTP-SKDRFNHKSA-N 0 3 278.312 1.121 10 5 CDBEHN C[C@H]1[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000905649095 626898985 /nfs/dbraw/zinc/89/89/85/626898985.db2.gz MDLOGKLPIDFPQN-CABZTGNLSA-N 0 3 294.380 1.974 10 5 CDBEHN CC(C)[C@H](CO)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000092394915 1174383602 /nfs/dbraw/zinc/38/36/02/1174383602.db2.gz QSNVUOUYNNODCJ-NSHDSACASA-N 0 3 283.284 1.610 10 5 CDBEHN Cc1ccc(CNCC2(CO)COC2)cc1[N+](=O)[O-] ZINC000305227229 1186642003 /nfs/dbraw/zinc/64/20/03/1186642003.db2.gz WKGNPDRXGQKGDV-UHFFFAOYSA-N 0 3 266.297 1.002 10 5 CDBEHN COc1cccc(C2(C(=O)OCC(C)[N+](=O)[O-])CC2)c1 ZINC000813106116 1163814269 /nfs/dbraw/zinc/81/42/69/1163814269.db2.gz YUBRZZKGXRXPGV-JTQLQIEISA-N 0 3 279.292 1.935 10 5 CDBEHN CC(=O)[C@H](C)CCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813113191 1163815778 /nfs/dbraw/zinc/81/57/78/1163815778.db2.gz OHASSNPIBDUKTK-ZJUUUORDSA-N 0 3 259.302 1.980 10 5 CDBEHN Cc1c(CC(=O)OCC(C)[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000813110193 1163816749 /nfs/dbraw/zinc/81/67/49/1163816749.db2.gz UPUQTFQYEQIJFV-MRVPVSSYSA-N 0 3 282.252 1.654 10 5 CDBEHN CCc1ccc(OCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110888 780398462 /nfs/dbraw/zinc/39/84/62/780398462.db2.gz LMEVEEIZOSMRNK-SNVBAGLBSA-N 0 3 267.281 1.836 10 5 CDBEHN Cc1noc(C(F)F)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104249 780822609 /nfs/dbraw/zinc/82/26/09/780822609.db2.gz KUEKUGLUIZNATK-SCSAIBSYSA-N 0 3 264.184 1.743 10 5 CDBEHN CC(COC(=O)CCc1cccc(N(C)C)c1)[N+](=O)[O-] ZINC000813112841 781301580 /nfs/dbraw/zinc/30/15/80/781301580.db2.gz USYXTKAJJPLPFK-LLVKDONJSA-N 0 3 280.324 1.894 10 5 CDBEHN CN(CC1CN(C)C1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000853555290 928045442 /nfs/dbraw/zinc/04/54/42/928045442.db2.gz IJEUZVVGFSOWHW-UHFFFAOYSA-N 0 3 289.339 1.395 10 5 CDBEHN C[C@H](NC[C@H](O)C1(O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000930207630 933335434 /nfs/dbraw/zinc/33/54/34/933335434.db2.gz CTDBTKJKMFFVLC-FZMZJTMJSA-N 0 3 294.351 1.911 10 5 CDBEHN O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@@H](O)CO)C2)cc1 ZINC000930637433 933419843 /nfs/dbraw/zinc/41/98/43/933419843.db2.gz LEWCMWXYIZSARJ-GXTWGEPZSA-N 0 3 280.324 1.127 10 5 CDBEHN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCN(C)[C@H]1C ZINC000719626181 934856663 /nfs/dbraw/zinc/85/66/63/934856663.db2.gz RJAJRSDVYIATMF-GXSJLCMTSA-N 0 3 250.302 1.803 10 5 CDBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)COC ZINC001568717693 1169444914 /nfs/dbraw/zinc/44/49/14/1169444914.db2.gz QEBYAYBJIUWBPG-UHFFFAOYSA-N 0 3 295.339 1.179 10 5 CDBEHN CC(C)C1(O)CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001655877136 1171733483 /nfs/dbraw/zinc/73/34/83/1171733483.db2.gz GANBQAKHAWPAHX-UHFFFAOYSA-N 0 3 282.344 1.274 10 5 CDBEHN COc1ccc(CN2CC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590010664 342519314 /nfs/dbraw/zinc/51/93/14/342519314.db2.gz BSYGVMRCWADBSR-GXTWGEPZSA-N 0 3 291.351 1.739 10 5 CDBEHN CCN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000572792025 361742175 /nfs/dbraw/zinc/74/21/75/361742175.db2.gz ZZTVXVFPVRCHOJ-UHFFFAOYSA-N 0 3 275.312 1.613 10 5 CDBEHN COC(=O)CC1(NCCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000593058875 342760760 /nfs/dbraw/zinc/76/07/60/342760760.db2.gz GKCVZAVPDFGPAN-UHFFFAOYSA-N 0 3 294.307 1.659 10 5 CDBEHN CN(CCN1CCCCC1)c1ccncc1[N+](=O)[O-] ZINC000593515715 342805496 /nfs/dbraw/zinc/80/54/96/342805496.db2.gz IHZRRCGSNDWSSI-UHFFFAOYSA-N 0 3 264.329 1.912 10 5 CDBEHN CO[C@@H](CNCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000594953870 342982500 /nfs/dbraw/zinc/98/25/00/342982500.db2.gz JZEJILPNFZGCFJ-JSGCOSHPSA-N 0 3 280.324 1.736 10 5 CDBEHN CO[C@H](CNCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000594953869 342982591 /nfs/dbraw/zinc/98/25/91/342982591.db2.gz JZEJILPNFZGCFJ-GXTWGEPZSA-N 0 3 280.324 1.736 10 5 CDBEHN CN1C[C@H]2[C@@H](CCN2Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595501105 343078249 /nfs/dbraw/zinc/07/82/49/343078249.db2.gz HMEIDQZVNOIOSN-FZMZJTMJSA-N 0 3 279.315 1.870 10 5 CDBEHN O=[N+]([O-])c1cccc(CN2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000595607261 343107203 /nfs/dbraw/zinc/10/72/03/343107203.db2.gz KCRRXKAMEDPYIL-CYBMUJFWSA-N 0 3 287.323 1.708 10 5 CDBEHN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H](CO)C3CCC3)nc2c1 ZINC000595617316 343110482 /nfs/dbraw/zinc/11/04/82/343110482.db2.gz RPONZDZOUPAIIP-ZDUSSCGKSA-N 0 3 290.323 1.722 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](CCF)C2)n1 ZINC000595756861 343142771 /nfs/dbraw/zinc/14/27/71/343142771.db2.gz YKDQXKYPAUNMPB-LLVKDONJSA-N 0 3 270.308 1.863 10 5 CDBEHN CN(CC1CN(C)C1)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000596453723 343324567 /nfs/dbraw/zinc/32/45/67/343324567.db2.gz MLMYMRWRICFCOE-UHFFFAOYSA-N 0 3 276.340 1.561 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN[C@H]1CCCS(=O)(=O)CC1 ZINC000602006235 344319969 /nfs/dbraw/zinc/31/99/69/344319969.db2.gz RFOOIWJDWDCNPU-LBPRGKRZSA-N 0 3 298.364 1.652 10 5 CDBEHN CN1CCN(CCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000201332042 345181372 /nfs/dbraw/zinc/18/13/72/345181372.db2.gz CUXFUMQOLSRRDI-UHFFFAOYSA-N 0 3 263.341 1.775 10 5 CDBEHN O=[N+]([O-])c1ccc(NC[C@H](O)CN2CCCCC2)cn1 ZINC000344441207 362778593 /nfs/dbraw/zinc/77/85/93/362778593.db2.gz VSFZJBWRBIHQBF-LBPRGKRZSA-N 0 3 280.328 1.249 10 5 CDBEHN C[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000046859690 348798734 /nfs/dbraw/zinc/79/87/34/348798734.db2.gz LMMDLMXTZCWARA-SNVBAGLBSA-N 0 3 280.328 1.527 10 5 CDBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366401522 363338677 /nfs/dbraw/zinc/33/86/77/363338677.db2.gz LCNBDYVIVLOXIW-QQUHWDOBSA-N 0 3 262.309 1.826 10 5 CDBEHN COCCNCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000216076860 356079485 /nfs/dbraw/zinc/07/94/85/356079485.db2.gz NPEDTPYHSMEORF-UHFFFAOYSA-N 0 3 291.311 1.186 10 5 CDBEHN O=[N+]([O-])c1cccnc1NC[C@H](O)CN1CCCCC1 ZINC000048559778 357190538 /nfs/dbraw/zinc/19/05/38/357190538.db2.gz XDCKBUKSBJMBMB-NSHDSACASA-N 0 3 280.328 1.249 10 5 CDBEHN Cc1cnc(N(C)[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000361263119 358124390 /nfs/dbraw/zinc/12/43/90/358124390.db2.gz RFDFVCBOEHOVCH-LBPRGKRZSA-N 0 3 276.340 1.971 10 5 CDBEHN C[C@@H]1OCC[C@@H]1N(CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000361558856 358319383 /nfs/dbraw/zinc/31/93/83/358319383.db2.gz YVKPJUHEJCRPQN-WFASDCNBSA-N 0 3 294.351 1.609 10 5 CDBEHN CCN(CCc1nccs1)CCn1cc([N+](=O)[O-])cn1 ZINC000159163865 358765536 /nfs/dbraw/zinc/76/55/36/358765536.db2.gz NLNNQJWQIIQVBR-UHFFFAOYSA-N 0 3 295.368 1.812 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1OC[C@H]1CNCCO1 ZINC000080745196 359002254 /nfs/dbraw/zinc/00/22/54/359002254.db2.gz IFFIBCHJGOSXIU-LLVKDONJSA-N 0 3 252.270 1.270 10 5 CDBEHN COCCN(CCN(C)C)Cc1ccc([N+](=O)[O-])cc1C ZINC000289430345 359563019 /nfs/dbraw/zinc/56/30/19/359563019.db2.gz KNUWTLDJXMCOQE-UHFFFAOYSA-N 0 3 295.383 1.913 10 5 CDBEHN CC(=O)[C@@](C)(O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000347795868 359648137 /nfs/dbraw/zinc/64/81/37/359648137.db2.gz XXANLAGJSKYKKV-HZMBPMFUSA-N 0 3 280.324 1.894 10 5 CDBEHN NCc1cc([N+](=O)[O-])ccc1I ZINC000238667116 360493790 /nfs/dbraw/zinc/49/37/90/360493790.db2.gz LUZIGWNGESVERE-UHFFFAOYSA-N 0 3 278.049 1.658 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000441218477 368554966 /nfs/dbraw/zinc/55/49/66/368554966.db2.gz SAEAWMICTAMKCE-QWHCGFSZSA-N 0 3 294.355 1.540 10 5 CDBEHN C[C@@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531878641 374514233 /nfs/dbraw/zinc/51/42/33/374514233.db2.gz WLAYNOYGUUWFRB-LLVKDONJSA-N 0 3 292.339 1.594 10 5 CDBEHN C[C@@H](NC(=O)C1(N)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000132148038 375404701 /nfs/dbraw/zinc/40/47/01/375404701.db2.gz PFCYPNVGBXPLSK-SNVBAGLBSA-N 0 3 293.323 1.280 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN[C@@H]1CNCCC1(F)F ZINC000414998418 391236924 /nfs/dbraw/zinc/23/69/24/391236924.db2.gz JABCRFXLLYSBJU-LLVKDONJSA-N 0 3 271.267 1.682 10 5 CDBEHN CCN1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000292928611 391638093 /nfs/dbraw/zinc/63/80/93/391638093.db2.gz ZBEWTILJRGKHPG-LSDHHAIUSA-N 0 3 291.351 1.894 10 5 CDBEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286008778 393039197 /nfs/dbraw/zinc/03/91/97/393039197.db2.gz HZARCFASCHABQY-VHSXEESVSA-N 0 3 293.327 1.017 10 5 CDBEHN CCN1CCC[C@H]1CNCc1ccc([N+](=O)[O-])o1 ZINC000037213798 173034832 /nfs/dbraw/zinc/03/48/32/173034832.db2.gz OHKDRNRABXNXEH-JTQLQIEISA-N 0 3 253.302 1.762 10 5 CDBEHN CNCc1ccc(O[C@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC000043641269 175084397 /nfs/dbraw/zinc/08/43/97/175084397.db2.gz UTZDMCMYUWTDBO-MRVPVSSYSA-N 0 3 268.269 1.255 10 5 CDBEHN C[C@H](CNCc1cc(F)ccc1[N+](=O)[O-])N(C)C ZINC000045107528 175308223 /nfs/dbraw/zinc/30/82/23/175308223.db2.gz RDAKQHKMCOOVQF-SECBINFHSA-N 0 3 255.293 1.774 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1N1CC[C@H](NC(C)C)C1=O ZINC000071042983 176029059 /nfs/dbraw/zinc/02/90/59/176029059.db2.gz WHJHGYBHKVWOOL-NSHDSACASA-N 0 3 293.323 1.707 10 5 CDBEHN CCC[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000178650866 276038725 /nfs/dbraw/zinc/03/87/25/276038725.db2.gz ZYFFKKQGVJNZGY-CYBMUJFWSA-N 0 3 279.340 1.941 10 5 CDBEHN CN(C)[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000170858446 276873702 /nfs/dbraw/zinc/87/37/02/276873702.db2.gz POYQQICVJXUOCD-JTQLQIEISA-N 0 3 263.297 1.371 10 5 CDBEHN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000569037247 294146124 /nfs/dbraw/zinc/14/61/24/294146124.db2.gz RBCWYDBSJRZPPW-UHFFFAOYSA-N 0 3 278.312 1.156 10 5 CDBEHN O=[N+]([O-])c1cccc(CN2CCNC[C@H]2C(F)F)c1 ZINC000581071395 324642511 /nfs/dbraw/zinc/64/25/11/324642511.db2.gz LJKXVJVJUWIXRU-NSHDSACASA-N 0 3 271.267 1.634 10 5 CDBEHN CCNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N(C)C ZINC000050779885 520328769 /nfs/dbraw/zinc/32/87/69/520328769.db2.gz UGHHOCDQCRBRND-SNVBAGLBSA-N 0 3 294.355 1.707 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[C@@H]2O)c1 ZINC000050516738 522124280 /nfs/dbraw/zinc/12/42/80/522124280.db2.gz VLIFHLFPECQICO-NWDGAFQWSA-N 0 3 266.297 1.606 10 5 CDBEHN CNc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)N(C)C)c1 ZINC000050779922 522640614 /nfs/dbraw/zinc/64/06/14/522640614.db2.gz ZSLIHGQROKAFNC-VIFPVBQESA-N 0 3 280.328 1.316 10 5 CDBEHN CO[C@@H]1CN[C@@H](C(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000050439859 523742167 /nfs/dbraw/zinc/74/21/67/523742167.db2.gz XLCZNDGNNJITBO-CMPLNLGQSA-N 0 3 293.323 1.527 10 5 CDBEHN C[C@H]1CNC[C@H](C)N1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000069133506 524698060 /nfs/dbraw/zinc/69/80/60/524698060.db2.gz RVJXVRZJGLFAET-UWVGGRQHSA-N 0 3 278.312 1.809 10 5 CDBEHN NCc1ccc(OC2CCOCC2)c([N+](=O)[O-])c1 ZINC000069288496 527256105 /nfs/dbraw/zinc/25/61/05/527256105.db2.gz AJNRCMDUXKTIGC-UHFFFAOYSA-N 0 3 252.270 1.611 10 5 CDBEHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC23CCOCC3)cc1 ZINC000766051621 576075031 /nfs/dbraw/zinc/07/50/31/576075031.db2.gz LRQBSULOXXFJQT-CQSZACIVSA-N 0 3 292.335 1.883 10 5 CDBEHN CC(COC(=O)[C@H]1Cc2ccccc2S1)[N+](=O)[O-] ZINC000813110547 617345692 /nfs/dbraw/zinc/34/56/92/617345692.db2.gz DBMLEXDWJWFLRU-LDYMZIIASA-N 0 3 267.306 1.912 10 5 CDBEHN COC(=O)c1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112940 1163816042 /nfs/dbraw/zinc/81/60/42/1163816042.db2.gz MJCHBWBQPPJEFM-SECBINFHSA-N 0 3 281.264 1.224 10 5 CDBEHN COc1ccc(/C=C/C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111555 1163815912 /nfs/dbraw/zinc/81/59/12/1163815912.db2.gz UQLWWOUEYXDJOV-VHODGJRUSA-N 0 3 265.265 1.917 10 5 CDBEHN CC(COC(=O)c1cnc(C(C)(C)C)nc1)[N+](=O)[O-] ZINC000813111271 1163816338 /nfs/dbraw/zinc/81/63/38/1163816338.db2.gz FQWSTAXSDRDWTP-MRVPVSSYSA-N 0 3 267.285 1.596 10 5 CDBEHN CCc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928437861 904963359 /nfs/dbraw/zinc/96/33/59/904963359.db2.gz JCDJEDCRGMLLNM-ZWNOBZJWSA-N 0 3 291.351 1.980 10 5 CDBEHN C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923494478 923881382 /nfs/dbraw/zinc/88/13/82/923881382.db2.gz NFWGQMCNJDZVLN-WDEREUQCSA-N 0 3 279.340 1.717 10 5 CDBEHN C[C@@H]1C[C@H](CO)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000860087305 929112705 /nfs/dbraw/zinc/11/27/05/929112705.db2.gz DJSAYELUQJQPHR-LALPHHSUSA-N 0 3 294.351 1.721 10 5 CDBEHN O=[N+]([O-])c1ccc2[nH]c(CNC[C@H](O)C3CC3)nc2c1 ZINC000819267724 930783072 /nfs/dbraw/zinc/78/30/72/930783072.db2.gz WLXFOFHSSUWLGX-LBPRGKRZSA-N 0 3 276.296 1.332 10 5 CDBEHN COc1ccc(CN2CC[C@@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590010669 342519362 /nfs/dbraw/zinc/51/93/62/342519362.db2.gz BSYGVMRCWADBSR-OCCSQVGLSA-N 0 3 291.351 1.739 10 5 CDBEHN CN1C[C@H]2CCN(Cc3c(F)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000590012535 342520172 /nfs/dbraw/zinc/52/01/72/342520172.db2.gz UPAVHLWEUPJUED-YGRLFVJLSA-N 0 3 279.315 1.870 10 5 CDBEHN CN1C[C@H]2[C@@H](CCN2C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000590045834 342520692 /nfs/dbraw/zinc/52/06/92/342520692.db2.gz XWGPRRDQEALXGS-JSGCOSHPSA-N 0 3 289.335 1.300 10 5 CDBEHN Cc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590441692 342546148 /nfs/dbraw/zinc/54/61/48/342546148.db2.gz DGZDBUNQRCVKAA-OCCSQVGLSA-N 0 3 289.335 1.679 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN[C@@H]1C[C@@H](O)C12CCC2 ZINC000594988757 342994310 /nfs/dbraw/zinc/99/43/10/342994310.db2.gz RPIVQQSEJIUOIE-CHWSQXEVSA-N 0 3 262.309 1.988 10 5 CDBEHN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1O ZINC000595748865 343151726 /nfs/dbraw/zinc/15/17/26/343151726.db2.gz ITLMATRCVSETMD-VXGBXAGGSA-N 0 3 294.351 1.922 10 5 CDBEHN N[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595908165 343189030 /nfs/dbraw/zinc/18/90/30/343189030.db2.gz ZFQXMHPGFBJNLT-VXGBXAGGSA-N 0 3 253.277 1.466 10 5 CDBEHN CC12CC(C1)CN2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595915125 343190792 /nfs/dbraw/zinc/19/07/92/343190792.db2.gz JRRMWNHQRDNVJJ-QRJNDHJOSA-N 0 3 292.335 1.819 10 5 CDBEHN O=[N+]([O-])c1ccsc1NC[C@H](O)CN1CCCCC1 ZINC000596277887 343296329 /nfs/dbraw/zinc/29/63/29/343296329.db2.gz FWAKDXGITPRMGE-JTQLQIEISA-N 0 3 285.369 1.915 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN[C@H](C(C)C)C1 ZINC000598573878 343833438 /nfs/dbraw/zinc/83/34/38/343833438.db2.gz QOWVECWREOXWPB-AWEZNQCLSA-N 0 3 291.351 1.973 10 5 CDBEHN Cc1nn(C)c(N2CCc3nccc(N)c3C2)c1[N+](=O)[O-] ZINC000598944112 343924593 /nfs/dbraw/zinc/92/45/93/343924593.db2.gz WRTVLIWPJIDKHG-UHFFFAOYSA-N 0 3 288.311 1.177 10 5 CDBEHN C[C@H](NC[C@@H](O)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000599067308 343948061 /nfs/dbraw/zinc/94/80/61/343948061.db2.gz ZFVKFLMEASCQLX-GDLCADMTSA-N 0 3 280.324 1.785 10 5 CDBEHN C[C@@H](NC[C@@H]1COCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000599075877 343949532 /nfs/dbraw/zinc/94/95/32/343949532.db2.gz AWFWEHLKVXIGSJ-BXUZGUMPSA-N 0 3 279.340 1.576 10 5 CDBEHN O=[N+]([O-])c1ccc2nc([S@](=O)C[C@@H]3CC[NH2+]C3)[n-]c2c1 ZINC000095092129 365949382 /nfs/dbraw/zinc/94/93/82/365949382.db2.gz WOSGLLMSTFRBSM-SQFXPLBJSA-N 0 3 294.336 1.188 10 5 CDBEHN O=[N+]([O-])c1ccc2[n-]c([S@](=O)C[C@@H]3CC[NH2+]C3)nc2c1 ZINC000095092129 365949390 /nfs/dbraw/zinc/94/93/90/365949390.db2.gz WOSGLLMSTFRBSM-SQFXPLBJSA-N 0 3 294.336 1.188 10 5 CDBEHN CC[C@@H](NCCC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000036746798 362938248 /nfs/dbraw/zinc/93/82/48/362938248.db2.gz LHVPDAIXYDWFNP-LLVKDONJSA-N 0 3 251.286 1.511 10 5 CDBEHN CCN1CC[C@@H](Nc2c([N+](=O)[O-])c(C)nn2CC)C1 ZINC000389459257 362941172 /nfs/dbraw/zinc/94/11/72/362941172.db2.gz RVYGOUXSXANHAN-SNVBAGLBSA-N 0 3 267.333 1.626 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000171193676 363410995 /nfs/dbraw/zinc/41/09/95/363410995.db2.gz LCZCQGRBMJHERL-ZDUSSCGKSA-N 0 3 292.339 1.488 10 5 CDBEHN CN1CC[C@H]2OCCN(c3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000284484009 283158864 /nfs/dbraw/zinc/15/88/64/283158864.db2.gz GTVYMOLBOGKIGO-UONOGXRCSA-N 0 3 295.314 1.643 10 5 CDBEHN C[C@H]1CCCCN1CCNc1ncc([N+](=O)[O-])cn1 ZINC000273649231 192246325 /nfs/dbraw/zinc/24/63/25/192246325.db2.gz UDPPEUAEVVCCDC-JTQLQIEISA-N 0 3 265.317 1.671 10 5 CDBEHN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN2CCC[C@H]2C1 ZINC000181048033 357306968 /nfs/dbraw/zinc/30/69/68/357306968.db2.gz SIHFKLODPXEQQS-JTQLQIEISA-N 0 3 290.323 1.097 10 5 CDBEHN CCN1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])nc3)[C@H]2C1 ZINC000582103304 364066401 /nfs/dbraw/zinc/06/64/01/364066401.db2.gz NEVLPEOESJYRJY-QWHCGFSZSA-N 0 3 292.339 1.289 10 5 CDBEHN COc1ccc(CNC(C)(C)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000161143781 367284028 /nfs/dbraw/zinc/28/40/28/367284028.db2.gz QPHBAQWQOTXTJT-SECBINFHSA-N 0 3 268.313 1.852 10 5 CDBEHN CC(C)(C)[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000330834380 203292272 /nfs/dbraw/zinc/29/22/72/203292272.db2.gz HVSDSJMSQZWMLL-STQMWFEESA-N 0 3 296.371 1.520 10 5 CDBEHN CC(C)(C)[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000330834379 203292767 /nfs/dbraw/zinc/29/27/67/203292767.db2.gz HVSDSJMSQZWMLL-QWHCGFSZSA-N 0 3 296.371 1.520 10 5 CDBEHN Cc1cc(C(=O)N2CC[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000170863415 369978508 /nfs/dbraw/zinc/97/85/08/369978508.db2.gz KMPCABLDDDDEGK-GFCCVEGCSA-N 0 3 277.324 1.679 10 5 CDBEHN CCC[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)N(C)C ZINC000179683682 372297946 /nfs/dbraw/zinc/29/79/46/372297946.db2.gz MWUDPYPTZVLNOB-ZDUSSCGKSA-N 0 3 279.340 1.941 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422938233 374364283 /nfs/dbraw/zinc/36/42/83/374364283.db2.gz HAHBMGBTLURVQG-CABCVRRESA-N 0 3 291.351 1.451 10 5 CDBEHN Cc1ccc(CNC[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000079929152 374430497 /nfs/dbraw/zinc/43/04/97/374430497.db2.gz NQKROIMZZYPJGV-NSHDSACASA-N 0 3 263.297 1.271 10 5 CDBEHN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000275142900 374689822 /nfs/dbraw/zinc/68/98/22/374689822.db2.gz FAQRFCNOPRSRQT-ZANVPECISA-N 0 3 276.296 1.702 10 5 CDBEHN CCOC[C@@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266765577 375416676 /nfs/dbraw/zinc/41/66/76/375416676.db2.gz HSZXUECVORAEBA-QWRGUYRKSA-N 0 3 268.313 1.643 10 5 CDBEHN CC1=C[C@@H](C)CN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430271391 247593922 /nfs/dbraw/zinc/59/39/22/247593922.db2.gz XHEYITGGSSXSNM-SNVBAGLBSA-N 0 3 250.302 1.689 10 5 CDBEHN O=C1C[C@]2(CCN(Cc3ccccc3[N+](=O)[O-])C2)CN1 ZINC000278785883 194154217 /nfs/dbraw/zinc/15/42/17/194154217.db2.gz DMTWMBBGHLLEBI-CQSZACIVSA-N 0 3 275.308 1.307 10 5 CDBEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000175027605 379625750 /nfs/dbraw/zinc/62/57/50/379625750.db2.gz HHWJOKZRLIJOBR-GHMZBOCLSA-N 0 3 293.323 1.887 10 5 CDBEHN O=[N+]([O-])c1ccc2nc([S@@](=O)[C@H]3CCC[NH2+]C3)[n-]c2c1 ZINC000095092112 285141437 /nfs/dbraw/zinc/14/14/37/285141437.db2.gz CKDQBJNQLSGPEB-GWNMQOMSSA-N 0 3 294.336 1.331 10 5 CDBEHN O=[N+]([O-])c1ccc2[n-]c([S@@](=O)[C@H]3CCC[NH2+]C3)nc2c1 ZINC000095092112 285141438 /nfs/dbraw/zinc/14/14/38/285141438.db2.gz CKDQBJNQLSGPEB-GWNMQOMSSA-N 0 3 294.336 1.331 10 5 CDBEHN O=C(NC1CC(N2CCCCC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000365424129 390968640 /nfs/dbraw/zinc/96/86/40/390968640.db2.gz AZSCISUFPYRROR-UHFFFAOYSA-N 0 3 293.323 1.935 10 5 CDBEHN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000183141222 391253499 /nfs/dbraw/zinc/25/34/99/391253499.db2.gz WAHZMESPCMNFHM-NOZJJQNGSA-N 0 3 293.323 1.351 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN(CCO)[C@@H]1CCO[C@H]1C ZINC000449677685 393139756 /nfs/dbraw/zinc/13/97/56/393139756.db2.gz NJOPYWJZJBTKFA-SWLSCSKDSA-N 0 3 294.351 1.875 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(N2CCO[C@@H]3CCN(C)C[C@H]32)c1 ZINC000284470056 393191293 /nfs/dbraw/zinc/19/12/93/393191293.db2.gz FTEZHIUPZZIAAT-HUUCEWRRSA-N 0 3 291.351 1.813 10 5 CDBEHN CCOc1ccc(C(=O)N[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000346143223 153068743 /nfs/dbraw/zinc/06/87/43/153068743.db2.gz SUNGFHFUQQEASZ-JTQLQIEISA-N 0 3 295.339 1.673 10 5 CDBEHN O=C(CNC1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037386737 173170354 /nfs/dbraw/zinc/17/03/54/173170354.db2.gz OBWNGNORCHTBBA-UHFFFAOYSA-N 0 3 269.688 1.939 10 5 CDBEHN CSCC[C@H](N)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000040463397 174272616 /nfs/dbraw/zinc/27/26/16/174272616.db2.gz BOFLIZLSRCJQQS-QMMMGPOBSA-N 0 3 269.326 1.614 10 5 CDBEHN N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043299766 175000636 /nfs/dbraw/zinc/00/06/36/175000636.db2.gz CJKXFOCAXVYPMX-MWLCHTKSSA-N 0 3 270.310 1.029 10 5 CDBEHN CCN[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300779 175001345 /nfs/dbraw/zinc/00/13/45/175001345.db2.gz WXICUFCKUDVNOF-AAEUAGOBSA-N 0 3 298.364 1.680 10 5 CDBEHN C[C@]1(NCCc2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)C1 ZINC000044930313 175279834 /nfs/dbraw/zinc/27/98/34/175279834.db2.gz LULQNBZEPXGKOM-ZDUSSCGKSA-N 0 3 298.364 1.304 10 5 CDBEHN N[C@H]1CCC(=O)N(C2CC2)[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000070987164 176018706 /nfs/dbraw/zinc/01/87/06/176018706.db2.gz GAJXHRVWKDEYAF-QPUJVOFHSA-N 0 3 265.269 1.341 10 5 CDBEHN N[C@H](CO)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000072199308 176340333 /nfs/dbraw/zinc/34/03/33/176340333.db2.gz WUEINPQYQVLXMM-SSDOTTSWSA-N 0 3 261.075 1.349 10 5 CDBEHN CO[C@@H](C)[C@H](C)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000191719034 270293172 /nfs/dbraw/zinc/29/31/72/270293172.db2.gz LHJDXZGHUOBAFH-AXFHLTTASA-N 0 3 295.339 1.935 10 5 CDBEHN CO[C@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000191718990 277325950 /nfs/dbraw/zinc/32/59/50/277325950.db2.gz LHJDXZGHUOBAFH-GARJFASQSA-N 0 3 295.339 1.935 10 5 CDBEHN C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3o2)CCN1 ZINC000094357267 278812308 /nfs/dbraw/zinc/81/23/08/278812308.db2.gz MZYZSCYXGAXDMI-MRVPVSSYSA-N 0 3 262.269 1.534 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000049096279 279169104 /nfs/dbraw/zinc/16/91/04/279169104.db2.gz VOISDGGOUGDFGE-LBPRGKRZSA-N 0 3 277.324 1.348 10 5 CDBEHN C[C@H]1C[C@H](C)CN(CCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000046880799 482436238 /nfs/dbraw/zinc/43/62/38/482436238.db2.gz LCSXIXGVCNQSHY-QWRGUYRKSA-N 0 3 295.339 1.896 10 5 CDBEHN CC(C)(C)NCc1cc([N+](=O)[O-])ccc1OCCO ZINC000062732000 518763491 /nfs/dbraw/zinc/76/34/91/518763491.db2.gz JOTKTPADDUQGBT-UHFFFAOYSA-N 0 3 268.313 1.854 10 5 CDBEHN CC(C)N[C@@H](CCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000062541077 519734777 /nfs/dbraw/zinc/73/47/77/519734777.db2.gz WIXVMHNCXUYIPT-LBPRGKRZSA-N 0 3 281.312 1.216 10 5 CDBEHN CC(C)N[C@@H](CCSc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000062596665 519734860 /nfs/dbraw/zinc/73/48/60/519734860.db2.gz ABRXUEQYVPHPGT-LBPRGKRZSA-N 0 3 297.380 1.929 10 5 CDBEHN CCNCc1ccc(OC[C@@H](O)COC)c([N+](=O)[O-])c1 ZINC000069053439 520000092 /nfs/dbraw/zinc/00/00/92/520000092.db2.gz YDHPBNSXRHBXFZ-NSHDSACASA-N 0 3 284.312 1.090 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[C@H]2O)c1 ZINC000050516965 520002371 /nfs/dbraw/zinc/00/23/71/520002371.db2.gz SGQOLYZTOGWLSL-CHWSQXEVSA-N 0 3 280.324 1.997 10 5 CDBEHN CCN[C@@](C)(COc1c(C)cc(C)cc1[N+](=O)[O-])C(N)=O ZINC000050442022 520136436 /nfs/dbraw/zinc/13/64/36/520136436.db2.gz LKXRQSISEIFVFK-AWEZNQCLSA-N 0 3 295.339 1.444 10 5 CDBEHN CCN[C@](C)(C[C@H](C)Oc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000068651531 520240169 /nfs/dbraw/zinc/24/01/69/520240169.db2.gz AVSZUIJLUAXTTG-IINYFYTJSA-N 0 3 295.339 1.606 10 5 CDBEHN CN(C)C[C@H]1CCCN1C(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000061644493 521863200 /nfs/dbraw/zinc/86/32/00/521863200.db2.gz MCTNJCNXUGNOQN-LLVKDONJSA-N 0 3 295.314 1.900 10 5 CDBEHN CN[C@@](C)(C[C@H](C)Oc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000068650885 522422506 /nfs/dbraw/zinc/42/25/06/522422506.db2.gz ALAMGVRSYWNGRS-ZANVPECISA-N 0 3 281.312 1.216 10 5 CDBEHN CN[C@@](COc1cccc(C)c1[N+](=O)[O-])(C(N)=O)C1CC1 ZINC000069194365 522430191 /nfs/dbraw/zinc/43/01/91/522430191.db2.gz QAFCARJUQGUWSL-CQSZACIVSA-N 0 3 293.323 1.136 10 5 CDBEHN CN[C@](C)(C[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000068628215 522519664 /nfs/dbraw/zinc/51/96/64/522519664.db2.gz CJFKIQBFZJUBRC-NOZJJQNGSA-N 0 3 297.380 1.929 10 5 CDBEHN C[C@H](CN1CCCC1)NC(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050709758 524314026 /nfs/dbraw/zinc/31/40/26/524314026.db2.gz OONORGAUFAGSBJ-SNVBAGLBSA-N 0 3 292.339 1.391 10 5 CDBEHN C[C@H](CN1CCCC1)Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050455421 524321804 /nfs/dbraw/zinc/32/18/04/524321804.db2.gz JGROQSLHGYCMTO-MRVPVSSYSA-N 0 3 285.735 1.934 10 5 CDBEHN Cc1ccc(O[C@H](C)C[C@@](C)(N)C(N)=O)c([N+](=O)[O-])c1 ZINC000068652094 525470678 /nfs/dbraw/zinc/47/06/78/525470678.db2.gz OTBFOPPXSNRSIN-NOZJJQNGSA-N 0 3 281.312 1.263 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@]1(O)CCSC1 ZINC000183539733 525566950 /nfs/dbraw/zinc/56/69/50/525566950.db2.gz QROLOOLJWMOJDN-CYBMUJFWSA-N 0 3 282.365 1.861 10 5 CDBEHN C[C@@H](CO)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766895910 576143445 /nfs/dbraw/zinc/14/34/45/576143445.db2.gz KGHIZKBYRPHHFN-GFCCVEGCSA-N 0 3 279.340 1.345 10 5 CDBEHN Cc1noc(C)c1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813110408 617345671 /nfs/dbraw/zinc/34/56/71/617345671.db2.gz AAEASZQTHSVJQN-SSDOTTSWSA-N 0 3 256.258 1.432 10 5 CDBEHN CCOCC(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001266632014 1158708860 /nfs/dbraw/zinc/70/88/60/1158708860.db2.gz PZQQPZMZARHDHN-UHFFFAOYSA-N 0 3 295.339 1.179 10 5 CDBEHN CC(COC(=O)c1cccc(N(C)C)c1)[N+](=O)[O-] ZINC000813105477 1163803805 /nfs/dbraw/zinc/80/38/05/1163803805.db2.gz MSCYKJFOAGYKEL-VIFPVBQESA-N 0 3 252.270 1.575 10 5 CDBEHN COc1ccc(CCC(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813107614 1163814011 /nfs/dbraw/zinc/81/40/11/1163814011.db2.gz PEQNEIVTGIWZKN-JTQLQIEISA-N 0 3 297.307 1.845 10 5 CDBEHN Cc1noc(C(C)C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110996 1163816086 /nfs/dbraw/zinc/81/60/86/1163816086.db2.gz NWZQTYABVVBRFI-SSDOTTSWSA-N 0 3 256.258 1.928 10 5 CDBEHN CC(COC(=O)[C@H]1CCOc2ccccc21)[N+](=O)[O-] ZINC000813112269 1163816210 /nfs/dbraw/zinc/81/62/10/1163816210.db2.gz FCXKRUNZZZCNOB-ONGXEEELSA-N 0 3 265.265 1.761 10 5 CDBEHN CC(COC(=O)c1cnn(C(C)(C)C)c1)[N+](=O)[O-] ZINC000813114844 1163817793 /nfs/dbraw/zinc/81/77/93/1163817793.db2.gz XABURZNHGFSDPV-MRVPVSSYSA-N 0 3 255.274 1.460 10 5 CDBEHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H]1CCN(C)C1 ZINC001645325847 1167392149 /nfs/dbraw/zinc/39/21/49/1167392149.db2.gz ODZHISVLNCHSMK-LLVKDONJSA-N 0 3 292.339 1.343 10 5 CDBEHN COC(C)(C)[C@H](C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001620601598 1172447753 /nfs/dbraw/zinc/44/77/53/1172447753.db2.gz GNPBYKCQZCEJIM-VIFPVBQESA-N 0 3 295.339 1.597 10 5 CDBEHN Cc1oc(C(C)C)nc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102712 784644096 /nfs/dbraw/zinc/64/40/96/784644096.db2.gz JKNKYZNOWJJHKU-SSDOTTSWSA-N 0 3 256.258 1.928 10 5 CDBEHN CC(C)c1nn(C)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112352 784761637 /nfs/dbraw/zinc/76/16/37/784761637.db2.gz FUUKQBXVCOUDDG-MRVPVSSYSA-N 0 3 255.274 1.366 10 5 CDBEHN CC(COC(=O)CCOCC(F)(F)F)[N+](=O)[O-] ZINC000813108336 784881166 /nfs/dbraw/zinc/88/11/66/784881166.db2.gz XQMSJMXNRADHRP-ZCFIWIBFSA-N 0 3 259.180 1.164 10 5 CDBEHN CC(COC(=O)Cc1ccn(-c2ccccc2)n1)[N+](=O)[O-] ZINC000813103059 785051161 /nfs/dbraw/zinc/05/11/61/785051161.db2.gz MPLXUUDXQRMCER-LLVKDONJSA-N 0 3 289.291 1.623 10 5 CDBEHN Cc1nn(C)c(C)c1[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813115137 785589679 /nfs/dbraw/zinc/58/96/79/785589679.db2.gz LCMQVVLUAVFINA-HTQZYQBOSA-N 0 3 269.301 1.349 10 5 CDBEHN C[N@@H+]1CC[C@@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC[C@H]21 ZINC000866207696 785867250 /nfs/dbraw/zinc/86/72/50/785867250.db2.gz FRWAMGDBFBYKGE-NXEZZACHSA-N 0 3 278.312 1.226 10 5 CDBEHN C[N@H+]1CC[C@@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC[C@H]21 ZINC000866207696 785867255 /nfs/dbraw/zinc/86/72/55/785867255.db2.gz FRWAMGDBFBYKGE-NXEZZACHSA-N 0 3 278.312 1.226 10 5 CDBEHN CC(COC(=O)CCc1cccc2c1OCO2)[N+](=O)[O-] ZINC000813112800 786020248 /nfs/dbraw/zinc/02/02/48/786020248.db2.gz LMKGICSKEUWXFY-SECBINFHSA-N 0 3 281.264 1.556 10 5 CDBEHN CC(COC(=O)[C@H]1CCOc2ccccc21)[N+](=O)[O-] ZINC000813112265 786268764 /nfs/dbraw/zinc/26/87/64/786268764.db2.gz FCXKRUNZZZCNOB-KOLCDFICSA-N 0 3 265.265 1.761 10 5 CDBEHN O=[N+]([O-])c1c(Cl)cccc1OC[C@@H]1CNCCO1 ZINC000164034207 786353323 /nfs/dbraw/zinc/35/33/23/786353323.db2.gz JXWLFUHMSXTEEM-QMMMGPOBSA-N 0 3 272.688 1.615 10 5 CDBEHN CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000855360239 787816637 /nfs/dbraw/zinc/81/66/37/787816637.db2.gz DAZULWMZPYFZBQ-NSHDSACASA-N 0 3 292.339 1.343 10 5 CDBEHN CO[C@@](C)(C(=O)OCC(C)[N+](=O)[O-])c1ccccc1F ZINC000813113350 787971680 /nfs/dbraw/zinc/97/16/80/787971680.db2.gz ZDWPSOSMAPZQCE-NOZJJQNGSA-N 0 3 285.271 1.896 10 5 CDBEHN Cc1ccncc1/C=C\C(=O)OCC(C)[N+](=O)[O-] ZINC000813100092 788257713 /nfs/dbraw/zinc/25/77/13/788257713.db2.gz MEHSAJIJOGNOBK-XOULXFPDSA-N 0 3 250.254 1.612 10 5 CDBEHN C[C@@H](C[N+](=O)[O-])OC(=O)C1CCN(C2CC2)CC1 ZINC000814045950 789185548 /nfs/dbraw/zinc/18/55/48/789185548.db2.gz DDIVUDNMBXCOOJ-VIFPVBQESA-N 0 3 256.302 1.069 10 5 CDBEHN O=[N+]([O-])c1ccc(NC[C@@H]2CN3CCC[C@H]3CO2)cn1 ZINC000252662157 789729791 /nfs/dbraw/zinc/72/97/91/789729791.db2.gz VKWUMSISFIHJLK-NWDGAFQWSA-N 0 3 278.312 1.265 10 5 CDBEHN CN(C(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H]1CCCN(C)C1 ZINC001545090594 967402561 /nfs/dbraw/zinc/40/25/61/967402561.db2.gz JCFFSEAGICWGBX-LLVKDONJSA-N 0 3 292.339 1.343 10 5 CDBEHN O=[N+]([O-])c1cc(F)cnc1NC[C@H](O)CN1CCCCC1 ZINC000601104689 342466021 /nfs/dbraw/zinc/46/60/21/342466021.db2.gz CZXXDBREDVZRDT-NSHDSACASA-N 0 3 298.318 1.388 10 5 CDBEHN O=[N+]([O-])c1ccc(NC2=NCCN2)cc1C(F)(F)F ZINC000675073145 539085254 /nfs/dbraw/zinc/08/52/54/539085254.db2.gz SBURTWMBLVATCT-UHFFFAOYSA-N 0 3 274.202 1.985 10 5 CDBEHN CCN1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@H]1C ZINC000588006087 342490950 /nfs/dbraw/zinc/49/09/50/342490950.db2.gz UMIMYWJQPOPELV-SNVBAGLBSA-N 0 3 294.355 1.200 10 5 CDBEHN CCN1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)[C@H](C)C1 ZINC000588068972 342492129 /nfs/dbraw/zinc/49/21/29/342492129.db2.gz SKNIPBNAFVLIAT-SNVBAGLBSA-N 0 3 294.355 1.200 10 5 CDBEHN NC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000401719585 342627972 /nfs/dbraw/zinc/62/79/72/342627972.db2.gz MURXHDQFMKYPNL-QMMMGPOBSA-N 0 3 295.192 1.353 10 5 CDBEHN CO[C@@](C)(CO)CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000594514676 342912972 /nfs/dbraw/zinc/91/29/72/342912972.db2.gz ZDMFYZJQORSBHZ-BXUZGUMPSA-N 0 3 282.340 1.951 10 5 CDBEHN C/C=C/CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600758169 342247809 /nfs/dbraw/zinc/24/78/09/342247809.db2.gz WERHYLGQDSJYRY-QAVQXKDTSA-N 0 3 266.297 1.500 10 5 CDBEHN O=[N+]([O-])c1cnccc1N[C@H]1CCN(CC2CC2)C1 ZINC000609384337 342267871 /nfs/dbraw/zinc/26/78/71/342267871.db2.gz KRYFNBXXDRLEOO-NSHDSACASA-N 0 3 262.313 1.308 10 5 CDBEHN C[C@@H](NC[C@@H](O)CC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000599350510 344016518 /nfs/dbraw/zinc/01/65/18/344016518.db2.gz RIZREUPMYDYRGT-RISCZKNCSA-N 0 3 294.351 1.911 10 5 CDBEHN O=[N+]([O-])c1ccc(OCCN[C@H]2C[C@H](O)C23CCC3)cc1 ZINC000595777587 343149425 /nfs/dbraw/zinc/14/94/25/343149425.db2.gz HOQNYHZHHZSIHN-KBPBESRZSA-N 0 3 292.335 1.867 10 5 CDBEHN C[C@@]12COC[C@]1(C)CN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC000595688873 343132265 /nfs/dbraw/zinc/13/22/65/343132265.db2.gz JRJXJFLRONBRII-BETUJISGSA-N 0 3 280.328 1.150 10 5 CDBEHN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000273921875 192363704 /nfs/dbraw/zinc/36/37/04/192363704.db2.gz BJJSDZOPIRSTHV-MXWKQRLJSA-N 0 3 295.339 1.528 10 5 CDBEHN Cc1cc(N2CCc3nccc(N)c3C2)ncc1[N+](=O)[O-] ZINC000598943676 343924752 /nfs/dbraw/zinc/92/47/52/343924752.db2.gz VLWORCWHBJUQTL-UHFFFAOYSA-N 0 3 285.307 1.838 10 5 CDBEHN C[C@H](NC[C@@H](O)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000599067310 343948139 /nfs/dbraw/zinc/94/81/39/343948139.db2.gz ZFVKFLMEASCQLX-ZLKJLUDKSA-N 0 3 280.324 1.785 10 5 CDBEHN C[C@@](CO)(NC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000602965279 344668990 /nfs/dbraw/zinc/66/89/90/344668990.db2.gz BKSYYSFACDNXHL-KBPBESRZSA-N 0 3 280.324 1.571 10 5 CDBEHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000292856965 362514104 /nfs/dbraw/zinc/51/41/04/362514104.db2.gz AJSXLILOANGHIE-WOPDTQHZSA-N 0 3 280.324 1.675 10 5 CDBEHN CCCCOC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000227892077 346533865 /nfs/dbraw/zinc/53/38/65/346533865.db2.gz WWZIEUBYEQNSFK-AWEZNQCLSA-N 0 3 282.340 1.862 10 5 CDBEHN CCN[C@H](CCO)C[S@](=O)c1ccccc1[N+](=O)[O-] ZINC000085927966 179202830 /nfs/dbraw/zinc/20/28/30/179202830.db2.gz JEAOLDMTULFSBR-GIGQVBGESA-N 0 3 286.353 1.063 10 5 CDBEHN COC[C@](C)(CCO)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154434307 188142798 /nfs/dbraw/zinc/14/27/98/188142798.db2.gz AMRXEWIONBTUJO-KBPBESRZSA-N 0 3 298.339 1.005 10 5 CDBEHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000341071942 366442911 /nfs/dbraw/zinc/44/29/11/366442911.db2.gz SPXYDAOUMHCQGX-GHMZBOCLSA-N 0 3 294.355 1.916 10 5 CDBEHN CCN1CC[C@@H](N(C)C(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H](C)C1 ZINC000548091091 360102269 /nfs/dbraw/zinc/10/22/69/360102269.db2.gz MXWVKBIZCANGQR-GXSJLCMTSA-N 0 3 295.343 1.120 10 5 CDBEHN CN(C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000116788555 374486321 /nfs/dbraw/zinc/48/63/21/374486321.db2.gz NYCZMKZAPHYXGR-SECBINFHSA-N 0 3 299.352 1.059 10 5 CDBEHN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CCN1C ZINC000531634251 374503810 /nfs/dbraw/zinc/50/38/10/374503810.db2.gz PDCHXMCCFCFTIA-NXEZZACHSA-N 0 3 278.312 1.202 10 5 CDBEHN COc1cc(CN(C)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000429244734 374577278 /nfs/dbraw/zinc/57/72/78/374577278.db2.gz MLFNLNJBWLMLOJ-UHFFFAOYSA-N 0 3 280.324 1.950 10 5 CDBEHN O=[N+]([O-])c1cc(CNC[C@H]2CCCCN2CCO)cs1 ZINC000449392843 374805754 /nfs/dbraw/zinc/80/57/54/374805754.db2.gz LFPNOQVJRBEVGY-GFCCVEGCSA-N 0 3 299.396 1.593 10 5 CDBEHN Cc1ccncc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000280442495 374996794 /nfs/dbraw/zinc/99/67/94/374996794.db2.gz YENPTCYLTSMMJD-UHFFFAOYSA-N 0 3 261.285 1.285 10 5 CDBEHN CC(C)(N)c1c(Br)cncc1[N+](=O)[O-] ZINC000306216676 377815472 /nfs/dbraw/zinc/81/54/72/377815472.db2.gz CHGYUQWOUPFNSI-UHFFFAOYSA-N 0 3 260.091 1.946 10 5 CDBEHN O=[N+]([O-])c1cccc(CN[C@@H]2CNCCC2(F)F)c1 ZINC000414993511 391237050 /nfs/dbraw/zinc/23/70/50/391237050.db2.gz CLLPSUKOYYQEOY-LLVKDONJSA-N 0 3 271.267 1.682 10 5 CDBEHN Nc1ccc([N+](=O)[O-])c(NC[C@H](O)CN2CCCCC2)c1 ZINC000192778504 391332698 /nfs/dbraw/zinc/33/26/98/391332698.db2.gz ILYWWMVKFOLURU-LBPRGKRZSA-N 0 3 294.355 1.436 10 5 CDBEHN COc1ccc(CN[C@@H]2CN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000358014265 391941384 /nfs/dbraw/zinc/94/13/84/391941384.db2.gz BWBWSSRCCTXVJY-ZYHUDNBSSA-N 0 3 279.340 1.643 10 5 CDBEHN CNC(=O)[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000420971229 392922659 /nfs/dbraw/zinc/92/26/59/392922659.db2.gz HQBPILFIYGPYDC-NSHDSACASA-N 0 3 263.297 1.163 10 5 CDBEHN CC1=C[C@H](C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000430276032 393097612 /nfs/dbraw/zinc/09/76/12/393097612.db2.gz CCSAUNXMMURDCV-GXFFZTMASA-N 0 3 280.328 1.050 10 5 CDBEHN CNc1c(C(=O)NC[C@@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000231523189 140216615 /nfs/dbraw/zinc/21/66/15/140216615.db2.gz RMXSVNLXNCHRDH-JTQLQIEISA-N 0 3 292.339 1.461 10 5 CDBEHN O=C1[C@@H](NC2CC2)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000071031137 176022453 /nfs/dbraw/zinc/02/24/53/176022453.db2.gz DTDLQHOVHWIDMU-AWEZNQCLSA-N 0 3 289.335 1.490 10 5 CDBEHN COc1cc(CN2CCC[C@@]2(C)CO)ccc1[N+](=O)[O-] ZINC000574848225 295063101 /nfs/dbraw/zinc/06/31/01/295063101.db2.gz VTXLCCWLKNVZCF-AWEZNQCLSA-N 0 3 280.324 1.950 10 5 CDBEHN CC(C)N[C@H](CCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000062541080 519738314 /nfs/dbraw/zinc/73/83/14/519738314.db2.gz WIXVMHNCXUYIPT-GFCCVEGCSA-N 0 3 281.312 1.216 10 5 CDBEHN CC(C)[C@@H](CN(C)C)NC(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050708760 519793277 /nfs/dbraw/zinc/79/32/77/519793277.db2.gz VTNIOQLEADXDPC-GFCCVEGCSA-N 0 3 294.355 1.493 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(OCC(=O)N(C)CC)c1 ZINC000050517012 520002049 /nfs/dbraw/zinc/00/20/49/520002049.db2.gz VJRYUYIFPVVOCL-UHFFFAOYSA-N 0 3 295.339 1.561 10 5 CDBEHN COCC[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000052792401 521946695 /nfs/dbraw/zinc/94/66/95/521946695.db2.gz FYIMLUSOTMESLU-VIFPVBQESA-N 0 3 287.703 1.551 10 5 CDBEHN CN[C@](COc1ccc(C)cc1[N+](=O)[O-])(C(N)=O)C1CC1 ZINC000069194677 522530691 /nfs/dbraw/zinc/53/06/91/522530691.db2.gz WXUKBQHKCKPGRD-AWEZNQCLSA-N 0 3 293.323 1.136 10 5 CDBEHN CNc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(C)CC2)c1 ZINC000050749552 522641627 /nfs/dbraw/zinc/64/16/27/522641627.db2.gz QIMRALCKPPNBNG-UHFFFAOYSA-N 0 3 292.339 1.461 10 5 CDBEHN CCn1ccnc1COc1ccc([N+](=O)[O-])cc1CN ZINC000054743538 523542356 /nfs/dbraw/zinc/54/23/56/523542356.db2.gz NVLHKBDFXCAHCJ-UHFFFAOYSA-N 0 3 276.296 1.849 10 5 CDBEHN C[C@@H](CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000049183767 524590506 /nfs/dbraw/zinc/59/05/06/524590506.db2.gz RGJXAWVOBNKPMA-JTQLQIEISA-N 0 3 295.314 1.948 10 5 CDBEHN C[C@](N)(C(=O)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000052943223 525144951 /nfs/dbraw/zinc/14/49/51/525144951.db2.gz SEZRBNRWJPSHCA-CYBMUJFWSA-N 0 3 263.297 1.338 10 5 CDBEHN Cc1ccc([N-]S(=O)(=O)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000049641291 525294310 /nfs/dbraw/zinc/29/43/10/525294310.db2.gz RYOGOKAKASDYCQ-UHFFFAOYSA-N 0 3 299.352 1.397 10 5 CDBEHN NNc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1CCCO ZINC000052763267 527282649 /nfs/dbraw/zinc/28/26/49/527282649.db2.gz YKDIDUAFTVKGHS-GFCCVEGCSA-N 0 3 294.355 1.617 10 5 CDBEHN Cc1cc(=O)cc(C)n1CCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813112018 617346559 /nfs/dbraw/zinc/34/65/59/617346559.db2.gz MKGLQRMVJIECKJ-LBPRGKRZSA-N 0 3 296.323 1.454 10 5 CDBEHN COCc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813113948 617347695 /nfs/dbraw/zinc/34/76/95/617347695.db2.gz WVONILUQFLBXHR-VIFPVBQESA-N 0 3 253.254 1.655 10 5 CDBEHN CC(COC(=O)Cc1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000813115121 617349264 /nfs/dbraw/zinc/34/92/64/617349264.db2.gz KVRMPJAYZOFYFI-MRVPVSSYSA-N 0 3 268.225 1.346 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928437727 619079827 /nfs/dbraw/zinc/07/98/27/619079827.db2.gz DASVEOGECOHQRV-GWCFXTLKSA-N 0 3 277.324 1.726 10 5 CDBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)F ZINC001691242498 1158972209 /nfs/dbraw/zinc/97/22/09/1158972209.db2.gz NJOOSSRXDREIDJ-UHFFFAOYSA-N 0 3 297.330 1.891 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@@H](CCO)C2CC2)c(F)c1 ZINC001645194481 1167374312 /nfs/dbraw/zinc/37/43/12/1167374312.db2.gz ZUJQXCGAWOAGHU-ZDUSSCGKSA-N 0 3 268.288 1.985 10 5 CDBEHN CC1CCN(CCNc2nn(C)cc2[N+](=O)[O-])CC1 ZINC000231667697 1178173668 /nfs/dbraw/zinc/17/36/68/1178173668.db2.gz BJCGAQVQYJQXMA-UHFFFAOYSA-N 0 3 267.333 1.472 10 5 CDBEHN Cc1nc(C(C)C)oc1C(=O)OCC(C)[N+](=O)[O-] ZINC000797283386 790312617 /nfs/dbraw/zinc/31/26/17/790312617.db2.gz WHWIAHLIZOFEPT-ZETCQYMHSA-N 0 3 256.258 1.928 10 5 CDBEHN Cc1ccc(CNC(=O)[C@H](N)C2CCC2)cc1[N+](=O)[O-] ZINC000870963411 790583739 /nfs/dbraw/zinc/58/37/39/790583739.db2.gz ZKLIZDIVJHXRKH-CYBMUJFWSA-N 0 3 277.324 1.647 10 5 CDBEHN COc1cc2c(cc1C(=O)OCC(C)[N+](=O)[O-])OCO2 ZINC000813100181 791022526 /nfs/dbraw/zinc/02/25/26/791022526.db2.gz OTOQJBWIRKGWIJ-SSDOTTSWSA-N 0 3 283.236 1.246 10 5 CDBEHN Cc1cncc(/C=C/C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112189 789870894 /nfs/dbraw/zinc/87/08/94/789870894.db2.gz NKUSHPVZVJKMNR-HMDXOVGESA-N 0 3 250.254 1.612 10 5 CDBEHN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000928458906 793070590 /nfs/dbraw/zinc/07/05/90/793070590.db2.gz ZEWRPRUTMWMJJO-CABZTGNLSA-N 0 3 263.297 1.417 10 5 CDBEHN CCc1nn(C)c(N[C@H]2CCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000719625941 794372841 /nfs/dbraw/zinc/37/28/41/794372841.db2.gz QBEZEGSSCXYCET-WPRPVWTQSA-N 0 3 267.333 1.395 10 5 CDBEHN CC(COC(=O)c1ccc2c(n1)CCCC2)[N+](=O)[O-] ZINC000813108034 795267243 /nfs/dbraw/zinc/26/72/43/795267243.db2.gz UIJYXRYMVOMMSB-VIFPVBQESA-N 0 3 264.281 1.782 10 5 CDBEHN Cc1nc(CC2CC2)oc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110656 795295787 /nfs/dbraw/zinc/29/57/87/795295787.db2.gz GYZQQZPARAHWRF-SSDOTTSWSA-N 0 3 268.269 1.758 10 5 CDBEHN CC(COC(=O)CSC[C@H]1CCCCO1)[N+](=O)[O-] ZINC000813108793 795815100 /nfs/dbraw/zinc/81/51/00/795815100.db2.gz LTZOHJHNUGHDIH-VHSXEESVSA-N 0 3 277.342 1.497 10 5 CDBEHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CNOC1 ZINC000925867964 795863047 /nfs/dbraw/zinc/86/30/47/795863047.db2.gz RHGNRXLMGYYKSO-GHMZBOCLSA-N 0 3 297.380 1.959 10 5 CDBEHN NC(=O)C1CC(NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000716683270 796329295 /nfs/dbraw/zinc/32/92/95/796329295.db2.gz KLOQBYPPPNWMMI-UHFFFAOYSA-N 0 3 283.715 1.602 10 5 CDBEHN CCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001126248635 900925804 /nfs/dbraw/zinc/92/58/04/900925804.db2.gz FIOHCIZVTAGEHT-UHFFFAOYSA-N 0 3 294.355 1.712 10 5 CDBEHN CCOC(=O)C[C@@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001648276916 1169112142 /nfs/dbraw/zinc/11/21/42/1169112142.db2.gz BVYDRGOSCMMABR-ZWNOBZJWSA-N 0 3 296.323 1.560 10 5 CDBEHN Cc1cc([N+](=O)[O-])cc(C(=O)NCCN2CCCC2)n1 ZINC001135822894 930441224 /nfs/dbraw/zinc/44/12/24/930441224.db2.gz IOQAFDCVPSQSNQ-UHFFFAOYSA-N 0 3 278.312 1.124 10 5 CDBEHN Cc1ccc([C@H](C)NC[C@H](O)C(C)(C)O)cc1[N+](=O)[O-] ZINC001653908049 1171574770 /nfs/dbraw/zinc/57/47/70/1171574770.db2.gz YHIOWXMDOOBWNS-GWCFXTLKSA-N 0 3 282.340 1.686 10 5 CDBEHN COc1cncc(CNCCn2cc([N+](=O)[O-])cn2)c1C ZINC000601111562 342468934 /nfs/dbraw/zinc/46/89/34/342468934.db2.gz RVQJDFPBHIVSKP-UHFFFAOYSA-N 0 3 291.311 1.293 10 5 CDBEHN CN1CCC(Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000401264844 342484795 /nfs/dbraw/zinc/48/47/95/342484795.db2.gz MAXMYUJWCPGHAL-UHFFFAOYSA-N 0 3 254.265 1.635 10 5 CDBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](CO)C(C)C)c1 ZINC000593022995 342758636 /nfs/dbraw/zinc/75/86/36/342758636.db2.gz NFGUPSLOLQLHIQ-GFCCVEGCSA-N 0 3 296.323 1.488 10 5 CDBEHN CCN(CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCOC1 ZINC000593070924 342762327 /nfs/dbraw/zinc/76/23/27/342762327.db2.gz YEQTZKQNLKLUIR-NSHDSACASA-N 0 3 268.317 1.292 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CC[C@@]3(CC3(F)F)C2)n1 ZINC000593117765 342770502 /nfs/dbraw/zinc/77/05/02/342770502.db2.gz RPAPSRWEDVHYJI-SNVBAGLBSA-N 0 3 272.255 1.522 10 5 CDBEHN COC[C@@H](CCNCc1ccccc1[N+](=O)[O-])OC ZINC000594952013 342982171 /nfs/dbraw/zinc/98/21/71/342982171.db2.gz PEJNUXDYOWISGF-GFCCVEGCSA-N 0 3 268.313 1.736 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000108336643 349736787 /nfs/dbraw/zinc/73/67/87/349736787.db2.gz UBJDEWOBSJTKRU-LBPRGKRZSA-N 0 3 291.351 1.975 10 5 CDBEHN O=[N+]([O-])c1ccc(OCCN[C@@H]2C[C@@H](O)C23CCC3)cc1 ZINC000595777590 343149257 /nfs/dbraw/zinc/14/92/57/343149257.db2.gz HOQNYHZHHZSIHN-ZIAGYGMSSA-N 0 3 292.335 1.867 10 5 CDBEHN C[C@H]1CCCCN1CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000079914557 342348446 /nfs/dbraw/zinc/34/84/46/342348446.db2.gz JKLFRKRKSRMEOY-VIFPVBQESA-N 0 3 280.332 1.253 10 5 CDBEHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000596438940 343321710 /nfs/dbraw/zinc/32/17/10/343321710.db2.gz AOOYKLMYDHCOOH-JTQLQIEISA-N 0 3 294.355 1.536 10 5 CDBEHN C[NH+](C)[C@H]1C[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596296785 343291213 /nfs/dbraw/zinc/29/12/13/343291213.db2.gz BMSMNYYLSVSSAJ-DTORHVGOSA-N 0 3 266.301 1.448 10 5 CDBEHN Cn1c(C(=O)NC[C@@H]2CCN2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000597857613 343647959 /nfs/dbraw/zinc/64/79/59/343647959.db2.gz GVRXBAOIAJMJDN-JTQLQIEISA-N 0 3 294.355 1.536 10 5 CDBEHN C[C@H](N[C@@H]1CCOC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000599079313 343955966 /nfs/dbraw/zinc/95/59/66/343955966.db2.gz DNINRWUEPFLVMS-BIMULSAOSA-N 0 3 266.297 1.395 10 5 CDBEHN CC[C@H](N[C@H]1CCOC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000599078789 343956191 /nfs/dbraw/zinc/95/61/91/343956191.db2.gz BCOWGDGAVSQULJ-IHRRRGAJSA-N 0 3 280.324 1.785 10 5 CDBEHN C[C@]1(C(=O)NCc2cccc([N+](=O)[O-])c2)CCCCN1 ZINC000136157925 362307148 /nfs/dbraw/zinc/30/71/48/362307148.db2.gz CZAGPGXQEYYJTN-CQSZACIVSA-N 0 3 277.324 1.743 10 5 CDBEHN C[C@H](C(=O)N[C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000617722345 345927128 /nfs/dbraw/zinc/92/71/28/345927128.db2.gz MMOHUUXWYRJESZ-WCQYABFASA-N 0 3 291.351 1.909 10 5 CDBEHN [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccc([O-])cc1[N+](=O)[O-] ZINC000085359300 179031962 /nfs/dbraw/zinc/03/19/62/179031962.db2.gz BCCQLVOEYBESPT-BDAKNGLRSA-N 0 3 265.269 1.366 10 5 CDBEHN O=[N+]([O-])c1ccc(NC2CCN([C@@H]3CCOC3)CC2)cn1 ZINC000089603083 347599408 /nfs/dbraw/zinc/59/94/08/347599408.db2.gz FAKFXBVWYATBHU-CYBMUJFWSA-N 0 3 292.339 1.655 10 5 CDBEHN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000273964859 192381568 /nfs/dbraw/zinc/38/15/68/192381568.db2.gz GXESLZMPGJOFDA-NXEZZACHSA-N 0 3 281.312 1.140 10 5 CDBEHN COC(=O)[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000107848123 186195798 /nfs/dbraw/zinc/19/57/98/186195798.db2.gz AQMJYIGRMYKXDG-LBPRGKRZSA-N 0 3 278.308 1.632 10 5 CDBEHN O=[N+]([O-])c1cccc(CN[C@H]2CCC[C@@H](O)C2)c1 ZINC000037163593 363530786 /nfs/dbraw/zinc/53/07/86/363530786.db2.gz PMCZAPYCGNIXCP-WCQYABFASA-N 0 3 250.298 1.988 10 5 CDBEHN Cn1cc([C@H]2CCN(CCn3ccc([N+](=O)[O-])n3)C2)cn1 ZINC000176247544 358750376 /nfs/dbraw/zinc/75/03/76/358750376.db2.gz LZZANDDIHLTGMO-NSHDSACASA-N 0 3 290.327 1.014 10 5 CDBEHN CCN1CC[C@H](Nc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000389341966 358996583 /nfs/dbraw/zinc/99/65/83/358996583.db2.gz JJKVVZXDBQFRRV-JTQLQIEISA-N 0 3 250.302 1.804 10 5 CDBEHN C[C@@H]1C[C@@H](O)C[C@H](C)N1CCn1cc([N+](=O)[O-])cn1 ZINC000253336192 140333350 /nfs/dbraw/zinc/33/33/50/140333350.db2.gz IBXJUPHQPLOWLK-PEGIJTEDSA-N 0 3 268.317 1.025 10 5 CDBEHN O=[N+]([O-])c1ccn(C2CCN([C@@H]3CCOC3)CC2)n1 ZINC000375724487 374509188 /nfs/dbraw/zinc/50/91/88/374509188.db2.gz WQZKEWAZXXPOQC-LLVKDONJSA-N 0 3 266.301 1.217 10 5 CDBEHN CN(C)C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000531793044 374509224 /nfs/dbraw/zinc/50/92/24/374509224.db2.gz AXINRFQBGXYJOL-SNVBAGLBSA-N 0 3 280.328 1.100 10 5 CDBEHN CN(C)[C@H](CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)C1CC1 ZINC000447674887 374706248 /nfs/dbraw/zinc/70/62/48/374706248.db2.gz HXBKCAUIWRNNAR-CYBMUJFWSA-N 0 3 289.339 1.645 10 5 CDBEHN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1n[n-]cc1[N+](=O)[O-] ZINC000132812864 375599186 /nfs/dbraw/zinc/59/91/86/375599186.db2.gz YJOWLRGVZYKISV-NXEZZACHSA-N 0 3 293.327 1.017 10 5 CDBEHN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1n[n-]cc1[N+](=O)[O-] ZINC000132812864 375599194 /nfs/dbraw/zinc/59/91/94/375599194.db2.gz YJOWLRGVZYKISV-NXEZZACHSA-N 0 3 293.327 1.017 10 5 CDBEHN CN(C)C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CCO1 ZINC000172304926 377440143 /nfs/dbraw/zinc/44/01/43/377440143.db2.gz MTTBCBMTWSPKDM-SNVBAGLBSA-N 0 3 299.352 1.059 10 5 CDBEHN CC(C)N(CCN(C)C)c1ccc([N+](=O)[O-])nc1 ZINC000450447488 251287353 /nfs/dbraw/zinc/28/73/53/251287353.db2.gz VZYMWIOFBBIOQB-UHFFFAOYSA-N 0 3 252.318 1.766 10 5 CDBEHN CN(CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000094771906 392524873 /nfs/dbraw/zinc/52/48/73/392524873.db2.gz XLROVGFUXMTUOZ-UHFFFAOYSA-N 0 3 275.312 1.977 10 5 CDBEHN O=C(NC[C@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000532141387 393067536 /nfs/dbraw/zinc/06/75/36/393067536.db2.gz OIIHHEWVSLQYOQ-SNVBAGLBSA-N 0 3 290.323 1.204 10 5 CDBEHN CCN1CCC[C@H]1CNc1ccncc1[N+](=O)[O-] ZINC000020370361 171167943 /nfs/dbraw/zinc/16/79/43/171167943.db2.gz QAWINQBZGGFTJC-JTQLQIEISA-N 0 3 250.302 1.886 10 5 CDBEHN Cc1nn(C)c(Oc2cccc([N+](=O)[O-])c2)c1CN ZINC000038080500 174090064 /nfs/dbraw/zinc/09/00/64/174090064.db2.gz CYULGMGIBKRPKS-UHFFFAOYSA-N 0 3 262.269 1.888 10 5 CDBEHN CO[C@@H]1CN[C@H](C(=O)Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000040632929 174359584 /nfs/dbraw/zinc/35/95/84/174359584.db2.gz RMKWZLNIMNUOSJ-WPRPVWTQSA-N 0 3 283.259 1.049 10 5 CDBEHN CCOC(=O)[C@H](C)CNCc1ccc([N+](=O)[O-])cc1 ZINC000043613295 175079425 /nfs/dbraw/zinc/07/94/25/175079425.db2.gz VELOAXLXIKHGRQ-SNVBAGLBSA-N 0 3 266.297 1.884 10 5 CDBEHN Nc1c([N+](=O)[O-])cnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000043669926 175086782 /nfs/dbraw/zinc/08/67/82/175086782.db2.gz GGOJOVFDRLAUPY-GFCCVEGCSA-N 0 3 287.323 1.821 10 5 CDBEHN CCNCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000044286802 175159466 /nfs/dbraw/zinc/15/94/66/175159466.db2.gz YPVULBNTQGMVJH-UHFFFAOYSA-N 0 3 257.677 1.796 10 5 CDBEHN Cn1ccnc1CCNCc1cc(F)ccc1[N+](=O)[O-] ZINC000045134422 175312855 /nfs/dbraw/zinc/31/28/55/175312855.db2.gz TZURUBYJSZDGDD-UHFFFAOYSA-N 0 3 278.287 1.800 10 5 CDBEHN C[C@@H]1CC[C@H](O)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000399164665 270369856 /nfs/dbraw/zinc/36/98/56/270369856.db2.gz CSZVKMZSQDDSIO-RISCZKNCSA-N 0 3 264.325 1.983 10 5 CDBEHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)N1CCCC1 ZINC000531898138 281865538 /nfs/dbraw/zinc/86/55/38/281865538.db2.gz RWZBDWFPKWNZJC-JTQLQIEISA-N 0 3 278.312 1.204 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(O[C@H](C)C(=O)OC)c1 ZINC000050516911 520001253 /nfs/dbraw/zinc/00/12/53/520001253.db2.gz AYNLKHVCMPBNHF-SECBINFHSA-N 0 3 282.296 1.645 10 5 CDBEHN CCOC(=O)[C@@H](C)Oc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516112 521031711 /nfs/dbraw/zinc/03/17/11/521031711.db2.gz UDAZJNZZGVVJKY-MRVPVSSYSA-N 0 3 268.269 1.384 10 5 CDBEHN COCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000052810222 521947700 /nfs/dbraw/zinc/94/77/00/521947700.db2.gz PEOMZERIWGWITO-VIFPVBQESA-N 0 3 271.248 1.036 10 5 CDBEHN CCC[C@@H](C)NC(=O)COc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516126 520654597 /nfs/dbraw/zinc/65/45/97/520654597.db2.gz WULMMTXEBBLGEG-SNVBAGLBSA-N 0 3 295.339 1.737 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(OCC(=O)NC(C)(C)C)c1 ZINC000050516888 522125511 /nfs/dbraw/zinc/12/55/11/522125511.db2.gz KCPWINJJZMESOU-UHFFFAOYSA-N 0 3 295.339 1.608 10 5 CDBEHN CN(Cc1cc([N+](=O)[O-])ccc1N)C1CCOCC1 ZINC000050814132 523185864 /nfs/dbraw/zinc/18/58/64/523185864.db2.gz RNAGQVKCEKMXBY-UHFFFAOYSA-N 0 3 265.313 1.788 10 5 CDBEHN CNC(=O)COc1ccc([N+](=O)[O-])cc1CNC(C)(C)C ZINC000062731999 524074983 /nfs/dbraw/zinc/07/49/83/524074983.db2.gz QZHMJJFGIBRTBK-UHFFFAOYSA-N 0 3 295.339 1.608 10 5 CDBEHN COc1ccc(Cn2cc(CN)cn2)cc1[N+](=O)[O-] ZINC000054716777 524259580 /nfs/dbraw/zinc/25/95/80/524259580.db2.gz MFQWEOAZUBTRDW-UHFFFAOYSA-N 0 3 262.269 1.307 10 5 CDBEHN C[C@@]1(NCCc2ccccc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000062726524 525873722 /nfs/dbraw/zinc/87/37/22/525873722.db2.gz NZBXGCXNQUNBGT-CYBMUJFWSA-N 0 3 298.364 1.304 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(O[C@@H](C)C[C@@](C)(N)C(N)=O)c1 ZINC000068651063 526065430 /nfs/dbraw/zinc/06/54/30/526065430.db2.gz WICDRNCQZKNFNS-TVQRCGJNSA-N 0 3 281.312 1.263 10 5 CDBEHN CC(=O)NCc1ccc(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813103770 617342852 /nfs/dbraw/zinc/34/28/52/617342852.db2.gz SXDQSBOVPZEJKS-SSDOTTSWSA-N 0 3 286.309 1.206 10 5 CDBEHN CC(COC(=O)[C@@H]1Cc2ccccc2S1)[N+](=O)[O-] ZINC000813110546 617345612 /nfs/dbraw/zinc/34/56/12/617345612.db2.gz DBMLEXDWJWFLRU-KWQFWETISA-N 0 3 267.306 1.912 10 5 CDBEHN CC(COC(=O)CNC(=O)CCC1CCCC1)[N+](=O)[O-] ZINC000813112596 617347124 /nfs/dbraw/zinc/34/71/24/617347124.db2.gz IYFFBSIDKDDUQC-SNVBAGLBSA-N 0 3 286.328 1.281 10 5 CDBEHN C[C@H]1[C@H](NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CCN1C ZINC000931607620 618075345 /nfs/dbraw/zinc/07/53/45/618075345.db2.gz LHMNDAROPRIMPG-GZMMTYOYSA-N 0 3 296.302 1.948 10 5 CDBEHN C[C@H]1[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000928430205 619006014 /nfs/dbraw/zinc/00/60/14/619006014.db2.gz FQOLCJNCDDOKBL-CABZTGNLSA-N 0 3 295.314 1.485 10 5 CDBEHN Cc1cc(N2CC(N[C@H]3CCOC3)C2)c([N+](=O)[O-])s1 ZINC001640464554 1167026500 /nfs/dbraw/zinc/02/65/00/1167026500.db2.gz AETHPRKPUZFNMH-VIFPVBQESA-N 0 3 283.353 1.532 10 5 CDBEHN Cc1ccc(O[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813107933 1163814365 /nfs/dbraw/zinc/81/43/65/1163814365.db2.gz RUKROJOIYYSMQW-QWRGUYRKSA-N 0 3 267.281 1.971 10 5 CDBEHN CC(COC(=O)c1nc(Cl)cs1)[N+](=O)[O-] ZINC000813107903 1163814388 /nfs/dbraw/zinc/81/43/88/1163814388.db2.gz YTEXKLAZZWRAEI-BYPYZUCNSA-N 0 3 250.663 1.619 10 5 CDBEHN CC(COC(=O)c1cccc([S@](C)=O)c1)[N+](=O)[O-] ZINC000813113831 1163815885 /nfs/dbraw/zinc/81/58/85/1163815885.db2.gz JUDVJRGHCNDFES-ASCAZGACSA-N 0 3 271.294 1.246 10 5 CDBEHN CC(COC(=O)[C@@H]1COc2ccccc2C1)[N+](=O)[O-] ZINC000813108108 796462633 /nfs/dbraw/zinc/46/26/33/796462633.db2.gz AGMCBLSXQVOAMV-ONGXEEELSA-N 0 3 265.265 1.446 10 5 CDBEHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC3(COC3)C2)cc1 ZINC000852683662 796556359 /nfs/dbraw/zinc/55/63/59/796556359.db2.gz OXMTVOZKSOWFNE-CYBMUJFWSA-N 0 3 278.308 1.351 10 5 CDBEHN CC(COC(=O)/C=C\c1ccnc(Cl)c1)[N+](=O)[O-] ZINC000813101478 796894003 /nfs/dbraw/zinc/89/40/03/796894003.db2.gz BHKWGFZPSAAYHW-KZUAUGPASA-N 0 3 270.672 1.957 10 5 CDBEHN CC(COC(=O)CC1CCC2(CC1)OCCO2)[N+](=O)[O-] ZINC000813108125 797038003 /nfs/dbraw/zinc/03/80/03/797038003.db2.gz ASJPKZJGFAEGRO-SNVBAGLBSA-N 0 3 287.312 1.518 10 5 CDBEHN CC(COC(=O)CSCc1cscn1)[N+](=O)[O-] ZINC000813101474 797839655 /nfs/dbraw/zinc/83/96/55/797839655.db2.gz BGGCOWVYMFXMNE-SSDOTTSWSA-N 0 3 276.339 1.585 10 5 CDBEHN CC[C@@H](C)n1ncc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813104634 797853874 /nfs/dbraw/zinc/85/38/74/797853874.db2.gz PLMYVADOOXNVQK-BDAKNGLRSA-N 0 3 269.301 1.985 10 5 CDBEHN CC(COC(=O)CCc1ccccc1F)[N+](=O)[O-] ZINC000813111484 798034166 /nfs/dbraw/zinc/03/41/66/798034166.db2.gz IKCPRHMDFFMDQU-SECBINFHSA-N 0 3 255.245 1.967 10 5 CDBEHN O=[N+]([O-])c1cc(CN[C@@H](CO)[C@@H]2CCCOC2)cs1 ZINC001653887082 1171574866 /nfs/dbraw/zinc/57/48/66/1171574866.db2.gz FOUUQVGRHQBELM-MNOVXSKESA-N 0 3 286.353 1.533 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCCC[C@]23CCCOC3)c1 ZINC001655142273 1171672607 /nfs/dbraw/zinc/67/26/07/1171672607.db2.gz UXKBBXBZPZIUDW-CQSZACIVSA-N 0 3 294.355 1.826 10 5 CDBEHN O=[N+]([O-])c1ccc(CNCC[C@H](O)C(F)F)c(F)c1 ZINC000601147854 342482062 /nfs/dbraw/zinc/48/20/62/342482062.db2.gz YGAXGXDCINUKLR-JTQLQIEISA-N 0 3 278.230 1.840 10 5 CDBEHN C[C@@H](CO)[C@@H](C)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595429109 343057769 /nfs/dbraw/zinc/05/77/69/343057769.db2.gz LPIJJYRVMJMJHL-DTWKUNHWSA-N 0 3 256.277 1.840 10 5 CDBEHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CNCCO1 ZINC000595892925 343182373 /nfs/dbraw/zinc/18/23/73/343182373.db2.gz SKZPHGFFGGSPCM-HNNXBMFYSA-N 0 3 293.367 1.794 10 5 CDBEHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000596439932 343322017 /nfs/dbraw/zinc/32/20/17/343322017.db2.gz HMIBJMKSZIVHPU-VIFPVBQESA-N 0 3 280.328 1.526 10 5 CDBEHN CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCN(C)C1 ZINC000597944549 343675055 /nfs/dbraw/zinc/67/50/55/343675055.db2.gz DXUOPYKYBYNJJK-VIFPVBQESA-N 0 3 266.301 1.089 10 5 CDBEHN Cc1ccc(CNC[C@@H](O)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000598989825 343935395 /nfs/dbraw/zinc/93/53/95/343935395.db2.gz BTVHZLVRFIOVEJ-ZIAGYGMSSA-N 0 3 280.324 1.533 10 5 CDBEHN CC[C@H](N[C@H]1C[C@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599070392 343949079 /nfs/dbraw/zinc/94/90/79/343949079.db2.gz MXGLHZHQODSAFF-GVXVVHGQSA-N 0 3 277.324 1.899 10 5 CDBEHN CCc1nn(C)c(N[C@H]2CCN(CC)C2)c1[N+](=O)[O-] ZINC000389407311 362283840 /nfs/dbraw/zinc/28/38/40/362283840.db2.gz MFHJFLHUDRNUAI-VIFPVBQESA-N 0 3 267.333 1.397 10 5 CDBEHN NC[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])C(F)(F)F ZINC000602520631 344452769 /nfs/dbraw/zinc/45/27/69/344452769.db2.gz JSUBJMJVEQEBKO-SSDOTTSWSA-N 0 3 295.192 1.353 10 5 CDBEHN CN1CCC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000604198887 344865738 /nfs/dbraw/zinc/86/57/38/344865738.db2.gz JEJYETXBBCOQJK-NSHDSACASA-N 0 3 293.323 1.184 10 5 CDBEHN C[C@@H](CO)[C@@H](C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000265851767 362616211 /nfs/dbraw/zinc/61/62/11/362616211.db2.gz IEWVWCNRFJNIDL-VHSXEESVSA-N 0 3 296.323 1.568 10 5 CDBEHN CCCN1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000074258546 345668863 /nfs/dbraw/zinc/66/88/63/345668863.db2.gz BTVCENPFNDZZKI-UHFFFAOYSA-N 0 3 264.329 1.912 10 5 CDBEHN C[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000123481970 187094184 /nfs/dbraw/zinc/09/41/84/187094184.db2.gz XPCRJZFIWXKQBT-OLZOCXBDSA-N 0 3 293.367 1.966 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C)[C@@H](C)CO ZINC000450732225 358995279 /nfs/dbraw/zinc/99/52/79/358995279.db2.gz FJAUVWGZYLBCNB-QWRGUYRKSA-N 0 3 295.339 1.448 10 5 CDBEHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)CN(C)C)c1 ZINC000134360378 360949146 /nfs/dbraw/zinc/94/91/46/360949146.db2.gz QAKQPISUGMQERA-VIFPVBQESA-N 0 3 281.312 1.743 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNCCN1CCCOCC1 ZINC000289424412 197340929 /nfs/dbraw/zinc/34/09/29/197340929.db2.gz JPPIMYXEUAOTMG-UHFFFAOYSA-N 0 3 293.367 1.715 10 5 CDBEHN O=[N+]([O-])c1ccc2[nH]c(N3CC[C@H](N4CC=CC4)C3)nc2c1 ZINC000278544413 285140840 /nfs/dbraw/zinc/14/08/40/285140840.db2.gz VEMMQGCZQLHDEW-LBPRGKRZSA-N 0 3 299.334 1.922 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CC[C@@H](C)C1 ZINC000525291988 392926166 /nfs/dbraw/zinc/92/61/66/392926166.db2.gz PGWQVZPOWPITPX-SNVBAGLBSA-N 0 3 292.339 1.370 10 5 CDBEHN Cc1cccc(C(=O)N2CCN3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000195309231 140153010 /nfs/dbraw/zinc/15/30/10/140153010.db2.gz XTZGHSQNUBHBCR-LBPRGKRZSA-N 0 3 289.335 1.823 10 5 CDBEHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CCN(C)C2)n1 ZINC000359079532 158120384 /nfs/dbraw/zinc/12/03/84/158120384.db2.gz BUJIZFNFGDFYKY-LLVKDONJSA-N 0 3 264.329 1.970 10 5 CDBEHN C[C@@H](NCCN1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000020526084 171238930 /nfs/dbraw/zinc/23/89/30/171238930.db2.gz HWAOLPQLSSRISK-GFCCVEGCSA-N 0 3 279.340 1.578 10 5 CDBEHN O=[N+]([O-])c1ccc(OCCO)c(CNC2CC2)c1 ZINC000035414796 172188990 /nfs/dbraw/zinc/18/89/90/172188990.db2.gz NOIRKZBDTFIJMO-UHFFFAOYSA-N 0 3 252.270 1.218 10 5 CDBEHN CC[C@H](C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000037386470 173170375 /nfs/dbraw/zinc/17/03/75/173170375.db2.gz PWYDGNKRKPCUEI-VIFPVBQESA-N 0 3 251.286 1.921 10 5 CDBEHN Cc1ccc([C@@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000038097555 174111861 /nfs/dbraw/zinc/11/18/61/174111861.db2.gz AAPKGXUFFMQJIC-ZYHUDNBSSA-N 0 3 294.311 1.404 10 5 CDBEHN CCNCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000044648772 175223544 /nfs/dbraw/zinc/22/35/44/175223544.db2.gz STMRUCGDHSDTJR-UHFFFAOYSA-N 0 3 259.212 1.421 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN1CCCN(CCO)CC1 ZINC000071349990 176133323 /nfs/dbraw/zinc/13/33/23/176133323.db2.gz LUADXYBWAIFXLT-UHFFFAOYSA-N 0 3 279.340 1.095 10 5 CDBEHN C[C@H]1CNC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000069132737 278453828 /nfs/dbraw/zinc/45/38/28/278453828.db2.gz SPPZQWDVTCDBRZ-UWVGGRQHSA-N 0 3 263.297 1.417 10 5 CDBEHN CC(C)[C@@H](CN(C)C)NCc1ccc([N+](=O)[O-])o1 ZINC000049198242 519793661 /nfs/dbraw/zinc/79/36/61/519793661.db2.gz GDIKNAFTVCBMQQ-LLVKDONJSA-N 0 3 255.318 1.864 10 5 CDBEHN CC(C)(C)N1C(=O)C[C@H](N)[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000070294086 518704242 /nfs/dbraw/zinc/70/42/42/518704242.db2.gz BDOFEEKCGFSBOO-WRWORJQWSA-N 0 3 267.285 1.587 10 5 CDBEHN CC(C)OCCOc1ccc([N+](=O)[O-])cc1CN ZINC000049259107 519768833 /nfs/dbraw/zinc/76/88/33/519768833.db2.gz YZWHBUTXKYZZLP-UHFFFAOYSA-N 0 3 254.286 1.857 10 5 CDBEHN CC(C)[C@@H](C)NC(=O)COc1ccc(CN)cc1[N+](=O)[O-] ZINC000049307220 519791773 /nfs/dbraw/zinc/79/17/73/519791773.db2.gz OUUKLBMXWKURNY-SNVBAGLBSA-N 0 3 295.339 1.593 10 5 CDBEHN CCNCc1cc([N+](=O)[O-])ccc1OC[C@@H](O)COC ZINC000069053613 519992591 /nfs/dbraw/zinc/99/25/91/519992591.db2.gz PRHVJXXBSIHJDT-LBPRGKRZSA-N 0 3 284.312 1.090 10 5 CDBEHN CCN1CCC(N(C)c2ncnc(Cl)c2[N+](=O)[O-])CC1 ZINC000050455708 521570132 /nfs/dbraw/zinc/57/01/32/521570132.db2.gz ZNMJSKAHERQXSB-UHFFFAOYSA-N 0 3 299.762 1.959 10 5 CDBEHN CN(C)C[C@@H]1CCCN1c1ccc(C=O)cc1[N+](=O)[O-] ZINC000061644949 521842757 /nfs/dbraw/zinc/84/27/57/521842757.db2.gz SJQFVPZODOKESZ-LBPRGKRZSA-N 0 3 277.324 1.938 10 5 CDBEHN CN(C)C[C@@H]1CCCN1c1ncnc(Cl)c1[N+](=O)[O-] ZINC000061654778 521846622 /nfs/dbraw/zinc/84/66/22/521846622.db2.gz VAGPAPTUBOKHKC-QMMMGPOBSA-N 0 3 285.735 1.569 10 5 CDBEHN CNCc1cc([N+](=O)[O-])ccc1OCCn1cccn1 ZINC000049313768 522115210 /nfs/dbraw/zinc/11/52/10/522115210.db2.gz RPCJBMIVHQXVBI-UHFFFAOYSA-N 0 3 276.296 1.590 10 5 CDBEHN Cc1cc(C)c(OCC[C@@](C)(N)C(N)=O)c([N+](=O)[O-])c1 ZINC000050442063 524311215 /nfs/dbraw/zinc/31/12/15/524311215.db2.gz LLEHBCJEBROHCZ-CYBMUJFWSA-N 0 3 281.312 1.183 10 5 CDBEHN C[C@H](C[C@@](C)(N)C(N)=O)Oc1ccc([N+](=O)[O-])cc1F ZINC000068651449 524631709 /nfs/dbraw/zinc/63/17/09/524631709.db2.gz JZPXNITWHSOQKL-JMCQJSRRSA-N 0 3 285.275 1.094 10 5 CDBEHN C[C@@H](C[C@](C)(N)C(N)=O)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000068651166 524859718 /nfs/dbraw/zinc/85/97/18/524859718.db2.gz OMXSFEWELLWJDH-MADCSZMMSA-N 0 3 285.275 1.094 10 5 CDBEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1ccccc1[N+](=O)[O-] ZINC000069133093 525101581 /nfs/dbraw/zinc/10/15/81/525101581.db2.gz NELRIZZPQJNCSW-AOOOYVTPSA-N 0 3 263.297 1.417 10 5 CDBEHN NCc1ccc(OCCn2cccn2)c([N+](=O)[O-])c1 ZINC000049313554 527257110 /nfs/dbraw/zinc/25/71/10/527257110.db2.gz WEZDTAOTSQMNBO-UHFFFAOYSA-N 0 3 262.269 1.329 10 5 CDBEHN Nc1cc(C(=O)NCCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000054415052 527445445 /nfs/dbraw/zinc/44/54/45/527445445.db2.gz XYMBTYHSMLTDCT-UHFFFAOYSA-N 0 3 292.339 1.393 10 5 CDBEHN Nc1ccc(CN2CCN(CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000050818119 527482174 /nfs/dbraw/zinc/48/21/74/527482174.db2.gz HWFOIMSGVJXBNL-UHFFFAOYSA-N 0 3 290.367 1.705 10 5 CDBEHN CC(COC(=O)c1cnn(CC(F)(F)F)c1)[N+](=O)[O-] ZINC000813107000 617343886 /nfs/dbraw/zinc/34/38/86/617343886.db2.gz JXVOKTCATKBCBO-LURJTMIESA-N 0 3 281.190 1.267 10 5 CDBEHN CCC[C@@H]1C[C@H](C(=O)OCC(C)[N+](=O)[O-])CCO1 ZINC000813113926 617347690 /nfs/dbraw/zinc/34/76/90/617347690.db2.gz WLMWBJZFPXXGBJ-GMTAPVOTSA-N 0 3 259.302 1.790 10 5 CDBEHN CC(C)Oc1cccc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813105761 1163802832 /nfs/dbraw/zinc/80/28/32/1163802832.db2.gz UEHFJVNVMHWHBK-SECBINFHSA-N 0 3 268.269 1.691 10 5 CDBEHN CN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001640056371 1166991200 /nfs/dbraw/zinc/99/12/00/1166991200.db2.gz HXXMBIIOTFXWGS-NSHDSACASA-N 0 3 292.339 1.391 10 5 CDBEHN O=C1OC[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC001655245955 1171680163 /nfs/dbraw/zinc/68/01/63/1171680163.db2.gz QXBSTFVMSOQUDI-GWCFXTLKSA-N 0 3 292.291 1.078 10 5 CDBEHN COc1cc(CC(=O)OCC(C)[N+](=O)[O-])ccc1C ZINC000813106841 812038778 /nfs/dbraw/zinc/03/87/78/812038778.db2.gz IPJKGUKYFJYYEG-JTQLQIEISA-N 0 3 267.281 1.755 10 5 CDBEHN NC(=O)C1CC(NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000716789920 812954884 /nfs/dbraw/zinc/95/48/84/812954884.db2.gz OACAHMFFGYQYLL-UHFFFAOYSA-N 0 3 283.715 1.602 10 5 CDBEHN COc1cccc(CCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813109610 813168524 /nfs/dbraw/zinc/16/85/24/813168524.db2.gz NDPUAHLHHDAVDC-JTQLQIEISA-N 0 3 267.281 1.836 10 5 CDBEHN CC(COC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C)[N+](=O)[O-] ZINC000813099866 813375247 /nfs/dbraw/zinc/37/52/47/813375247.db2.gz FQPGJOUCNFGJOR-ZJUUUORDSA-N 0 3 286.328 1.232 10 5 CDBEHN CC[C@@H](C)n1ncc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813104640 813849770 /nfs/dbraw/zinc/84/97/70/813849770.db2.gz PLMYVADOOXNVQK-RKDXNWHRSA-N 0 3 269.301 1.985 10 5 CDBEHN C[C@@H]1CC[C@@H](O)CN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000817287240 814026842 /nfs/dbraw/zinc/02/68/42/814026842.db2.gz DLTRMNVSBZUDFU-LERXQTSPSA-N 0 3 280.324 1.473 10 5 CDBEHN CC(=O)[C@@H]1C[C@H](CC(=O)OCC(C)[N+](=O)[O-])C1(C)C ZINC000813103360 817060117 /nfs/dbraw/zinc/06/01/17/817060117.db2.gz PGCJLROGCYDFTF-IEBDPFPHSA-N 0 3 271.313 1.836 10 5 CDBEHN CCc1ccccc1OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813112273 817405568 /nfs/dbraw/zinc/40/55/68/817405568.db2.gz FDDGTRALJHDCRG-SNVBAGLBSA-N 0 3 267.281 1.836 10 5 CDBEHN CCc1cccc(OCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112698 817429042 /nfs/dbraw/zinc/42/90/42/817429042.db2.gz TWGWFWWJCBIOHE-SNVBAGLBSA-N 0 3 267.281 1.836 10 5 CDBEHN CO[C@](C)(CO)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848556327 817866332 /nfs/dbraw/zinc/86/63/32/817866332.db2.gz UQOURVALZLQVBL-RNCFNFMXSA-N 0 3 283.328 1.225 10 5 CDBEHN O=[N+]([O-])c1ccc(CNCCOC2CCOCC2)cc1 ZINC000701375297 922373183 /nfs/dbraw/zinc/37/31/83/922373183.db2.gz UPUBNXDJHNETTP-UHFFFAOYSA-N 0 3 280.324 1.880 10 5 CDBEHN CO[C@H]1C[C@@H](CN(C)c2ccccc2[N+](=O)[O-])N(C)C1 ZINC000585783497 342455524 /nfs/dbraw/zinc/45/55/24/342455524.db2.gz JBQQZAHFCVFFQT-RYUDHWBXSA-N 0 3 279.340 1.750 10 5 CDBEHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ccccc1[N+](=O)[O-] ZINC000591982983 342659419 /nfs/dbraw/zinc/65/94/19/342659419.db2.gz SDEKUHYZCJLADT-NSHDSACASA-N 0 3 292.339 1.151 10 5 CDBEHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN2CCC[C@@H]2C1 ZINC000588811050 342222045 /nfs/dbraw/zinc/22/20/45/342222045.db2.gz VCJUAXDPTZAHTJ-LLVKDONJSA-N 0 3 279.344 1.404 10 5 CDBEHN COc1ccc(CNC[C@](C)(CO)OC)cc1[N+](=O)[O-] ZINC000594508962 342914590 /nfs/dbraw/zinc/91/45/90/342914590.db2.gz FVKJEFCHCXTRGI-CYBMUJFWSA-N 0 3 284.312 1.090 10 5 CDBEHN O=[N+]([O-])c1cc([O-])ccc1-n1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000594652796 342933794 /nfs/dbraw/zinc/93/37/94/342933794.db2.gz OVANCHBEHGFDDS-VIFPVBQESA-N 0 3 289.295 1.348 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](CCF)C2)c1 ZINC000595754419 343153237 /nfs/dbraw/zinc/15/32/37/343153237.db2.gz BDDGACJQBXYDQH-LLVKDONJSA-N 0 3 270.308 1.863 10 5 CDBEHN CC(C)(C)N1CC[C@@H]1CNc1ccncc1[N+](=O)[O-] ZINC000596308479 343293851 /nfs/dbraw/zinc/29/38/51/343293851.db2.gz SSRGAOLQLSHMRN-SNVBAGLBSA-N 0 3 264.329 1.696 10 5 CDBEHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H](O)[C@@H]1CCCO1 ZINC000599065411 343948180 /nfs/dbraw/zinc/94/81/80/343948180.db2.gz LFTXRSJPGVNJEE-QEJZJMRPSA-N 0 3 292.335 1.712 10 5 CDBEHN CC[C@H](N[C@H]1CCOC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000599078790 343956067 /nfs/dbraw/zinc/95/60/67/343956067.db2.gz BCOWGDGAVSQULJ-MELADBBJSA-N 0 3 280.324 1.785 10 5 CDBEHN CC[C@H](N[C@@H]1CCOC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000599078791 343956223 /nfs/dbraw/zinc/95/62/23/343956223.db2.gz BCOWGDGAVSQULJ-MJBXVCDLSA-N 0 3 280.324 1.785 10 5 CDBEHN O=[N+]([O-])c1ccc(NC[C@H](O)CN2CCCCC2)c(F)c1 ZINC000052131504 362472406 /nfs/dbraw/zinc/47/24/06/362472406.db2.gz AOULZWJDSMKEHK-LBPRGKRZSA-N 0 3 297.330 1.993 10 5 CDBEHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000292856954 362515034 /nfs/dbraw/zinc/51/50/34/362515034.db2.gz AJSXLILOANGHIE-GRYCIOLGSA-N 0 3 280.324 1.675 10 5 CDBEHN C[C@H](CO)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000611236116 346704293 /nfs/dbraw/zinc/70/42/93/346704293.db2.gz HFFIKCROYASJQN-WDEREUQCSA-N 0 3 280.328 1.104 10 5 CDBEHN CCN(CCc1nccs1)CCn1ccc([N+](=O)[O-])n1 ZINC000159197810 358803542 /nfs/dbraw/zinc/80/35/42/358803542.db2.gz CRHPFGBJOQFKMN-UHFFFAOYSA-N 0 3 295.368 1.812 10 5 CDBEHN CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CCN(C2CC2)C1 ZINC000347901844 359924382 /nfs/dbraw/zinc/92/43/82/359924382.db2.gz UWUSJRZNFPUTPN-SNVBAGLBSA-N 0 3 278.312 1.232 10 5 CDBEHN C[C@@H](O)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566474833 316607929 /nfs/dbraw/zinc/60/79/29/316607929.db2.gz JAKLJMBYDKMISC-BXKDBHETSA-N 0 3 250.298 1.943 10 5 CDBEHN Cc1ccc(C(=O)NC[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000049096725 361459001 /nfs/dbraw/zinc/45/90/01/361459001.db2.gz VAPUDDROGYIMQX-LBPRGKRZSA-N 0 3 277.324 1.727 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000441218476 368531399 /nfs/dbraw/zinc/53/13/99/368531399.db2.gz SAEAWMICTAMKCE-OLZOCXBDSA-N 0 3 294.355 1.540 10 5 CDBEHN CN(C)[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000170860970 369951215 /nfs/dbraw/zinc/95/12/15/369951215.db2.gz QTFMPFYBKNTOMF-GFCCVEGCSA-N 0 3 293.323 1.136 10 5 CDBEHN Cc1ccc([C@H](C)NC[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000091666730 374090871 /nfs/dbraw/zinc/09/08/71/374090871.db2.gz GITQOEHHBUAVSV-GXTWGEPZSA-N 0 3 293.367 1.884 10 5 CDBEHN Cc1c(CN(CCO)[C@@H]2CCO[C@H]2C)cccc1[N+](=O)[O-] ZINC000331164390 374896891 /nfs/dbraw/zinc/89/68/91/374896891.db2.gz LVQVNGUBHXODLG-SWLSCSKDSA-N 0 3 294.351 1.875 10 5 CDBEHN NC(=O)CC1(NC/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000351502483 375302355 /nfs/dbraw/zinc/30/23/55/375302355.db2.gz LTCCDOFHFUXZDB-ZZXKWVIFSA-N 0 3 289.335 1.996 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491881715 253111311 /nfs/dbraw/zinc/11/13/11/253111311.db2.gz BPVMKXPEYFQQFB-PIZKADEWSA-N 0 3 289.335 1.818 10 5 CDBEHN CN[C@H]1CCC[C@H]1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942610 177905327 /nfs/dbraw/zinc/90/53/27/177905327.db2.gz LFIXZJQNEVSQDL-GXSJLCMTSA-N 0 3 284.337 1.509 10 5 CDBEHN NC(=O)C[C@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000120567764 391646144 /nfs/dbraw/zinc/64/61/44/391646144.db2.gz JVPGQGWWQMVCFR-GFCCVEGCSA-N 0 3 277.324 1.825 10 5 CDBEHN COc1cc(CN2CC[C@H](C)[C@H]2CO)ccc1[N+](=O)[O-] ZINC000442888433 392505588 /nfs/dbraw/zinc/50/55/88/392505588.db2.gz GSIMCQXHXFZEMM-GXFFZTMASA-N 0 3 280.324 1.806 10 5 CDBEHN CNC(=O)[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000420963165 392922556 /nfs/dbraw/zinc/92/25/56/392922556.db2.gz MRIQFXNTUKBTKQ-NSHDSACASA-N 0 3 263.297 1.163 10 5 CDBEHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532143206 393067984 /nfs/dbraw/zinc/06/79/84/393067984.db2.gz VMTUTKDVGZSEBP-NSHDSACASA-N 0 3 292.339 1.404 10 5 CDBEHN CC[C@@H](NC[C@](C)(O)C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000343759737 152292692 /nfs/dbraw/zinc/29/26/92/152292692.db2.gz IFGDGYGZFPEGBD-OCCSQVGLSA-N 0 3 296.323 1.560 10 5 CDBEHN CNC(=O)[C@@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1C ZINC000350077107 154320730 /nfs/dbraw/zinc/32/07/30/154320730.db2.gz BWNUPJUCPIFORZ-ZIAGYGMSSA-N 0 3 291.351 1.908 10 5 CDBEHN C[C@@H](CO)[C@@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000358788409 158026465 /nfs/dbraw/zinc/02/64/65/158026465.db2.gz GCDINIMAJACIFW-AXFHLTTASA-N 0 3 295.339 1.528 10 5 CDBEHN CC(C)NC(=O)CCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285427456 196281050 /nfs/dbraw/zinc/28/10/50/196281050.db2.gz WHVIIPLYGZCKQA-UHFFFAOYSA-N 0 3 293.367 1.984 10 5 CDBEHN CC(C)[C@H](N)C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000040459120 174268943 /nfs/dbraw/zinc/26/89/43/174268943.db2.gz LANUJROMHOAGSC-NSHDSACASA-N 0 3 251.286 1.541 10 5 CDBEHN CCNCC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000044286660 175159356 /nfs/dbraw/zinc/15/93/56/175159356.db2.gz QXFODMRREXTEKS-UHFFFAOYSA-N 0 3 267.285 1.542 10 5 CDBEHN CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)N(C)C ZINC000569171061 294169263 /nfs/dbraw/zinc/16/92/63/294169263.db2.gz QVTVOTKBVVBTOL-GFCCVEGCSA-N 0 3 294.355 1.696 10 5 CDBEHN CC(C)OC[C@H](O)CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000577216951 317287985 /nfs/dbraw/zinc/28/79/85/317287985.db2.gz ZRYLTXUQVIELIC-CYBMUJFWSA-N 0 3 298.339 1.349 10 5 CDBEHN COC[C@@](C)(CCO)NCc1ccc([N+](=O)[O-])cc1C ZINC000183540366 522524677 /nfs/dbraw/zinc/52/46/77/522524677.db2.gz XPECWEJKJMAJGS-CQSZACIVSA-N 0 3 282.340 1.780 10 5 CDBEHN CC(C)[C@H](CN(C)C)Nc1ccc([N+](=O)[O-])cn1 ZINC000049218324 519814947 /nfs/dbraw/zinc/81/49/47/519814947.db2.gz AGBRJWLHWZMZID-NSHDSACASA-N 0 3 252.318 1.988 10 5 CDBEHN CN(C)C[C@@H]1CCCN1CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000061645722 521835411 /nfs/dbraw/zinc/83/54/11/521835411.db2.gz QKIHVAQPTYDFQA-AWEZNQCLSA-N 0 3 291.351 1.804 10 5 CDBEHN CN[C@@](C)(C[C@@H](C)Oc1cccc(C)c1[N+](=O)[O-])C(N)=O ZINC000068651397 522415291 /nfs/dbraw/zinc/41/52/91/522415291.db2.gz DAPUKIZGUWPZQO-YGRLFVJLSA-N 0 3 295.339 1.524 10 5 CDBEHN CC[C@H](C)NC(=O)[C@H](C)Oc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516488 523994272 /nfs/dbraw/zinc/99/42/72/523994272.db2.gz RZLDJAQRINOGDZ-UWVGGRQHSA-N 0 3 295.339 1.736 10 5 CDBEHN Cc1ccc(OCC[C@@H](NC(C)C)C(N)=O)c([N+](=O)[O-])c1 ZINC000062541865 525425033 /nfs/dbraw/zinc/42/50/33/525425033.db2.gz NRNLMVKKVNIFKE-LLVKDONJSA-N 0 3 295.339 1.524 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@](C)(O)C1 ZINC000183389397 525564605 /nfs/dbraw/zinc/56/46/05/525564605.db2.gz UJXCKIIOLHQKNG-CYBMUJFWSA-N 0 3 250.298 1.860 10 5 CDBEHN NCc1ccc([N+](=O)[O-])c(OCc2ncccn2)c1 ZINC000054458563 527258513 /nfs/dbraw/zinc/25/85/13/527258513.db2.gz BDBBDUXLLVDLAP-UHFFFAOYSA-N 0 3 260.253 1.423 10 5 CDBEHN O=[N+]([O-])c1ccc(F)cc1CN[C@@H](CCO)C1CC1 ZINC000771804374 575703072 /nfs/dbraw/zinc/70/30/72/575703072.db2.gz RVUDYLIDXQDZLA-LBPRGKRZSA-N 0 3 268.288 1.985 10 5 CDBEHN CC(COC(=O)C(=O)c1cnn(C(C)(C)C)c1)[N+](=O)[O-] ZINC000813112187 617346863 /nfs/dbraw/zinc/34/68/63/617346863.db2.gz DERCNKCPBNKTDV-MRVPVSSYSA-N 0 3 283.284 1.029 10 5 CDBEHN C[C@H]1[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000915089849 631647722 /nfs/dbraw/zinc/64/77/22/631647722.db2.gz MOHHYBLBFIFPAJ-GXFFZTMASA-N 0 3 292.339 1.487 10 5 CDBEHN Cc1ccc(CNCCOCCCO)cc1[N+](=O)[O-] ZINC000353020838 1167323841 /nfs/dbraw/zinc/32/38/41/1167323841.db2.gz RKBCZCQVBBVDPF-UHFFFAOYSA-N 0 3 268.313 1.392 10 5 CDBEHN CN(CCN1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001542842136 1167939816 /nfs/dbraw/zinc/93/98/16/1167939816.db2.gz WOFYQTVCWBMWST-UHFFFAOYSA-N 0 3 292.339 1.345 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001655575146 1171706587 /nfs/dbraw/zinc/70/65/87/1171706587.db2.gz DDLUOEUAJGZLOY-DDTOSNHZSA-N 0 3 292.335 1.806 10 5 CDBEHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(F)c1 ZINC000813106550 818709976 /nfs/dbraw/zinc/70/99/76/818709976.db2.gz DIEYZTAEOJBRJH-ZETCQYMHSA-N 0 3 257.217 1.656 10 5 CDBEHN COc1nc(C)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103238 818812055 /nfs/dbraw/zinc/81/20/55/818812055.db2.gz BCWKPAIDUVKMPH-MRVPVSSYSA-N 0 3 254.242 1.221 10 5 CDBEHN CC(C)(C)O[C@@H]1C[C@H](NCC[N+](=O)[O-])C12CCC2 ZINC000931022244 819651400 /nfs/dbraw/zinc/65/14/00/819651400.db2.gz NPJVVLCFENRDNK-WDEREUQCSA-N 0 3 256.346 1.979 10 5 CDBEHN C[C@](CO)(NCCN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000931469042 819888537 /nfs/dbraw/zinc/88/85/37/819888537.db2.gz NCOLFZFKISMOSJ-OAHLLOKOSA-N 0 3 293.367 1.488 10 5 CDBEHN O=[N+]([O-])c1ccc(Cl)cc1CNCC1COC1 ZINC000858297375 819979819 /nfs/dbraw/zinc/97/98/19/819979819.db2.gz HKJAKHXWOGHTAH-UHFFFAOYSA-N 0 3 256.689 1.984 10 5 CDBEHN CC[C@H](NC[C@@H](O)[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000717369679 820646138 /nfs/dbraw/zinc/64/61/38/820646138.db2.gz VREBUDIAHRZTPY-JIMOISOXSA-N 0 3 268.313 1.377 10 5 CDBEHN CC(COC(=O)[C@@H]1CCOc2ccccc21)[N+](=O)[O-] ZINC000813112262 820875719 /nfs/dbraw/zinc/87/57/19/820875719.db2.gz FCXKRUNZZZCNOB-GXSJLCMTSA-N 0 3 265.265 1.761 10 5 CDBEHN COC(=O)C12CCC(C(=O)OCC(C)[N+](=O)[O-])(CC1)CC2 ZINC000816091862 820885963 /nfs/dbraw/zinc/88/59/63/820885963.db2.gz LMGJQQLXTLWISP-GWMXKSKGSA-N 0 3 299.323 1.708 10 5 CDBEHN Cc1ccc(CNC[C@H](O)Cn2cccn2)cc1[N+](=O)[O-] ZINC000872231287 821829427 /nfs/dbraw/zinc/82/94/27/821829427.db2.gz HFSKKBFBSMSGOS-ZDUSSCGKSA-N 0 3 290.323 1.250 10 5 CDBEHN CC(COC(=O)[C@@H]1CCC(=O)c2cccn21)[N+](=O)[O-] ZINC000813106628 821901640 /nfs/dbraw/zinc/90/16/40/821901640.db2.gz FVXRVYXMRSSYRX-WPRPVWTQSA-N 0 3 266.253 1.214 10 5 CDBEHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@@H]2C)c1 ZINC000928445179 822396523 /nfs/dbraw/zinc/39/65/23/822396523.db2.gz OZWLFQIMOJGFBB-BXKDBHETSA-N 0 3 293.323 1.426 10 5 CDBEHN CN1CCOC[C@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000700116061 922176806 /nfs/dbraw/zinc/17/68/06/922176806.db2.gz HOTHFTTWTBITSJ-GFCCVEGCSA-N 0 3 299.758 1.668 10 5 CDBEHN C[C@H]1[C@@H](O)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001653619298 1171555413 /nfs/dbraw/zinc/55/54/13/1171555413.db2.gz PUDZGWJNZMOEMN-TVYUQYBPSA-N 0 3 266.297 1.083 10 5 CDBEHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ccsc1[N+](=O)[O-] ZINC000601180988 342487681 /nfs/dbraw/zinc/48/76/81/342487681.db2.gz BRXQUXAQXUHZND-VIFPVBQESA-N 0 3 298.368 1.213 10 5 CDBEHN COc1ccc(CN2CC[C@@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590010672 342519445 /nfs/dbraw/zinc/51/94/45/342519445.db2.gz BSYGVMRCWADBSR-TZMCWYRMSA-N 0 3 291.351 1.739 10 5 CDBEHN COc1ccc(CN[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000609287742 342100395 /nfs/dbraw/zinc/10/03/95/342100395.db2.gz ZJFGWCMDUGCOTL-LBPRGKRZSA-N 0 3 279.340 1.787 10 5 CDBEHN CN(C)C1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593464325 342803529 /nfs/dbraw/zinc/80/35/29/342803529.db2.gz DQHPOSZHDLCVRM-UHFFFAOYSA-N 0 3 272.308 1.893 10 5 CDBEHN C/C=C\CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600758171 342247729 /nfs/dbraw/zinc/24/77/29/342247729.db2.gz WERHYLGQDSJYRY-ZZKXABKFSA-N 0 3 266.297 1.500 10 5 CDBEHN CN(C)[C@@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000062969361 282200016 /nfs/dbraw/zinc/20/00/16/282200016.db2.gz UHBQRISALABLCZ-SNVBAGLBSA-N 0 3 281.287 1.510 10 5 CDBEHN CO[C@H](CNCc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000594956009 342983355 /nfs/dbraw/zinc/98/33/55/342983355.db2.gz SQNJBHLCPAYZOA-TZMCWYRMSA-N 0 3 280.324 1.736 10 5 CDBEHN C[C@@]12COC[C@]1(C)CN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC000595688530 343132286 /nfs/dbraw/zinc/13/22/86/343132286.db2.gz JHHRROPNWPBDTN-BETUJISGSA-N 0 3 280.328 1.150 10 5 CDBEHN COc1cc(N(C)CC2CN(C)C2)ccc1[N+](=O)[O-] ZINC000596452107 343324373 /nfs/dbraw/zinc/32/43/73/343324373.db2.gz CNXXUSOGSNEHQS-UHFFFAOYSA-N 0 3 265.313 1.601 10 5 CDBEHN CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000598535307 343827951 /nfs/dbraw/zinc/82/79/51/343827951.db2.gz APROHXGYNWFMBF-CMPLNLGQSA-N 0 3 277.324 1.807 10 5 CDBEHN CN(CCOc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599645744 344112799 /nfs/dbraw/zinc/11/27/99/344112799.db2.gz VTMCXUGDAYZMER-KLPPZKSPSA-N 0 3 293.323 1.169 10 5 CDBEHN CN(CCN(C)C1CC1)c1ccc([N+](=O)[O-])nc1 ZINC000351564132 362463760 /nfs/dbraw/zinc/46/37/60/362463760.db2.gz QEFVHQOLZPXCGK-UHFFFAOYSA-N 0 3 250.302 1.520 10 5 CDBEHN C[C@H](CO)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000121428758 346049699 /nfs/dbraw/zinc/04/96/99/346049699.db2.gz HFFIKCROYASJQN-QWRGUYRKSA-N 0 3 280.328 1.104 10 5 CDBEHN CCOC[C@H](O)CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000075611637 346763447 /nfs/dbraw/zinc/76/34/47/346763447.db2.gz HDHLFFMAWCCLML-SMDDNHRTSA-N 0 3 282.340 1.985 10 5 CDBEHN O=[N+]([O-])c1ccc(CNCCC2CS(=O)(=O)C2)cc1 ZINC000615728203 348653852 /nfs/dbraw/zinc/65/38/52/348653852.db2.gz SWGBTQRKKGKXKN-UHFFFAOYSA-N 0 3 284.337 1.119 10 5 CDBEHN C[C@H](NC[C@H]1CN(C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000091666877 180222033 /nfs/dbraw/zinc/22/20/33/180222033.db2.gz BVFWVIGMVFFPCL-FZMZJTMJSA-N 0 3 279.340 1.576 10 5 CDBEHN C[C@H](O)C(C)(C)NCc1ccc([N+](=O)[O-])cc1F ZINC000336790137 356263457 /nfs/dbraw/zinc/26/34/57/356263457.db2.gz KSDGZWKQMWDXTN-QMMMGPOBSA-N 0 3 256.277 1.983 10 5 CDBEHN CCN1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000273636369 192240653 /nfs/dbraw/zinc/24/06/53/192240653.db2.gz RFMKDAAOHNSZIW-ZYHUDNBSSA-N 0 3 279.344 1.551 10 5 CDBEHN CCN1CC[C@@H](Nc2nccc(C)c2[N+](=O)[O-])C1 ZINC000389321920 358899796 /nfs/dbraw/zinc/89/97/96/358899796.db2.gz GNEYOMUENFDVMW-SNVBAGLBSA-N 0 3 250.302 1.804 10 5 CDBEHN CCCN1CCC[C@H]1CNc1ccncc1[N+](=O)[O-] ZINC000340973529 365062699 /nfs/dbraw/zinc/06/26/99/365062699.db2.gz QJYHVMFOGMTONJ-NSHDSACASA-N 0 3 264.329 1.698 10 5 CDBEHN COc1cc(CN[C@H](C)[C@H](C)CO)c([N+](=O)[O-])cc1F ZINC000295715084 370587326 /nfs/dbraw/zinc/58/73/26/370587326.db2.gz KNUSWMSOXHLPRL-RKDXNWHRSA-N 0 3 286.303 1.849 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN[C@H](C1CC1)[C@H]1CNCCO1 ZINC000422945817 374364045 /nfs/dbraw/zinc/36/40/45/374364045.db2.gz NZNKMDMHKNBNSE-HUUCEWRRSA-N 0 3 291.351 1.451 10 5 CDBEHN C[C@@H](NC[C@@H]1CCC(=O)N1)c1ccccc1[N+](=O)[O-] ZINC000079927371 374429434 /nfs/dbraw/zinc/42/94/34/374429434.db2.gz CUEPKFAEOBHVOQ-ZJUUUORDSA-N 0 3 263.297 1.524 10 5 CDBEHN O=[N+]([O-])c1ccc(CN2CC[C@H](CCO)C2)cc1 ZINC000227568918 375564635 /nfs/dbraw/zinc/56/46/35/375564635.db2.gz CJKYXWCEFDLFNS-GFCCVEGCSA-N 0 3 250.298 1.799 10 5 CDBEHN NC(=O)CC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000354930229 375762518 /nfs/dbraw/zinc/76/25/18/375762518.db2.gz XDXTVMBIXSNGDQ-UHFFFAOYSA-N 0 3 263.297 1.483 10 5 CDBEHN CN(C)[C@@H]1CCN(c2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000062966104 184568304 /nfs/dbraw/zinc/56/83/04/184568304.db2.gz KEFAWKPGBJOEEO-LLVKDONJSA-N 0 3 263.297 1.548 10 5 CDBEHN Cc1cc(C)c([N+](=O)[O-])c(N2CCN3CCC[C@H]3C2)n1 ZINC000408169832 391457552 /nfs/dbraw/zinc/45/75/52/391457552.db2.gz AZZDVNIZVMGXBP-LBPRGKRZSA-N 0 3 276.340 1.891 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CC[C@H](C)C1 ZINC000525291987 392925926 /nfs/dbraw/zinc/92/59/26/392925926.db2.gz PGWQVZPOWPITPX-JTQLQIEISA-N 0 3 292.339 1.370 10 5 CDBEHN C[C@@H]1CC[C@H](O)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000421014512 392926001 /nfs/dbraw/zinc/92/60/01/392926001.db2.gz KLUJKZZJNABLCR-YPMHNXCESA-N 0 3 280.324 1.819 10 5 CDBEHN CNC(=O)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1C ZINC000449603453 393136076 /nfs/dbraw/zinc/13/60/76/393136076.db2.gz QVEQEYRQXDPXLW-SNVBAGLBSA-N 0 3 265.313 1.517 10 5 CDBEHN Cc1ccsc1[C@@H](CO)NCCn1cc([N+](=O)[O-])cn1 ZINC000494637676 393236258 /nfs/dbraw/zinc/23/62/58/393236258.db2.gz PRPOMVCLXOKSIO-LLVKDONJSA-N 0 3 296.352 1.484 10 5 CDBEHN Cc1nc(N2CCO[C@@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000284519094 393191557 /nfs/dbraw/zinc/19/15/57/393191557.db2.gz JXIMOIXHZRDZGF-QWHCGFSZSA-N 0 3 292.339 1.208 10 5 CDBEHN C[C@@H]1C[C@H](C)N1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000548754091 393365462 /nfs/dbraw/zinc/36/54/62/393365462.db2.gz AXIHHHSGIBJSPY-LOWVWBTDSA-N 0 3 280.324 1.817 10 5 CDBEHN O=C(Nc1cccc([N+](=O)[O-])c1)c1n[nH]c2c1CNCC2 ZINC000188190077 140090335 /nfs/dbraw/zinc/09/03/35/140090335.db2.gz ZOJFERFHWLOZLI-UHFFFAOYSA-N 0 3 287.279 1.216 10 5 CDBEHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000094466979 397608260 /nfs/dbraw/zinc/60/82/60/397608260.db2.gz NTJJNDQHPPUSKT-NSHDSACASA-N 0 3 290.323 1.097 10 5 CDBEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000035231912 172071617 /nfs/dbraw/zinc/07/16/17/172071617.db2.gz NCCAUSZFESISCS-LDYMZIIASA-N 0 3 251.286 1.907 10 5 CDBEHN Cc1nn(C)c(Oc2ccc([N+](=O)[O-])cc2)c1CN ZINC000038080310 174090215 /nfs/dbraw/zinc/09/02/15/174090215.db2.gz ITMSNGPLBCAZKJ-UHFFFAOYSA-N 0 3 262.269 1.888 10 5 CDBEHN CCN1CCC[C@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000040503267 174299924 /nfs/dbraw/zinc/29/99/24/174299924.db2.gz UOWYWVKFISERHE-JTQLQIEISA-N 0 3 250.302 1.886 10 5 CDBEHN CCN[C@@H](c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000043300919 175001564 /nfs/dbraw/zinc/00/15/64/175001564.db2.gz GCKJDHUEZFKMCX-GXFFZTMASA-N 0 3 298.364 1.680 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1N1CC[C@@H](NC(C)C)C1=O ZINC000071042982 176029146 /nfs/dbraw/zinc/02/91/46/176029146.db2.gz WHJHGYBHKVWOOL-LLVKDONJSA-N 0 3 293.323 1.707 10 5 CDBEHN CN(C[C@@H]1CCN(C)C1)c1ccc(C=O)cc1[N+](=O)[O-] ZINC000071189466 176064362 /nfs/dbraw/zinc/06/43/62/176064362.db2.gz NAASENWEWHZXFK-GFCCVEGCSA-N 0 3 277.324 1.795 10 5 CDBEHN CN(C[C@H]1CCN(C)C1)C(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000071189321 176064794 /nfs/dbraw/zinc/06/47/94/176064794.db2.gz NSQCTXFVBTYLRI-JTQLQIEISA-N 0 3 295.314 1.758 10 5 CDBEHN CC(C)CNCc1cc([N+](=O)[O-])ccc1OCCC(N)=O ZINC000062732058 519746943 /nfs/dbraw/zinc/74/69/43/519746943.db2.gz XVGAIKKYARKBMM-UHFFFAOYSA-N 0 3 295.339 1.595 10 5 CDBEHN CCCN(CCN(C)C)c1ccc([N+](=O)[O-])cc1N ZINC000052841414 521658897 /nfs/dbraw/zinc/65/88/97/521658897.db2.gz VIEOTZGQVADUQO-UHFFFAOYSA-N 0 3 266.345 1.955 10 5 CDBEHN COC(=O)COc1cc(CNC(C)C)ccc1[N+](=O)[O-] ZINC000050517176 523218253 /nfs/dbraw/zinc/21/82/53/523218253.db2.gz MCRPUJWQEGQQJR-UHFFFAOYSA-N 0 3 282.296 1.645 10 5 CDBEHN Cc1nnc(COc2cc(CN)ccc2[N+](=O)[O-])n1C ZINC000050516537 526347092 /nfs/dbraw/zinc/34/70/92/526347092.db2.gz OECPMYYFHTVMSY-UHFFFAOYSA-N 0 3 277.284 1.069 10 5 CDBEHN NNc1ccc(Cl)c(Cn2cnc([N+](=O)[O-])c2)n1 ZINC000061639287 527280030 /nfs/dbraw/zinc/28/00/30/527280030.db2.gz NWEPEQJEDFKAQX-UHFFFAOYSA-N 0 3 268.664 1.174 10 5 CDBEHN CN1CCC[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000729919516 574827648 /nfs/dbraw/zinc/82/76/48/574827648.db2.gz PHFHVESOSHREGI-PPGNKHEKSA-N 0 3 289.335 1.818 10 5 CDBEHN C[C@@H](NC1CCN(C=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000774271915 575192962 /nfs/dbraw/zinc/19/29/62/575192962.db2.gz MIXLYRGUXXZGJW-LLVKDONJSA-N 0 3 277.324 1.866 10 5 CDBEHN CC(COC(=O)c1noc2c1CCCC2)[N+](=O)[O-] ZINC000813111057 617345827 /nfs/dbraw/zinc/34/58/27/617345827.db2.gz BKIBVKHWTZCPQR-ZETCQYMHSA-N 0 3 254.242 1.375 10 5 CDBEHN Cc1c(CC(=O)N[C@H]2CCN(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000928432689 619044329 /nfs/dbraw/zinc/04/43/29/619044329.db2.gz GFDOBYIAGTWWEY-AAEUAGOBSA-N 0 3 291.351 1.655 10 5 CDBEHN CC[C@@H](NC[C@@H](O)[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC001658034774 1172007134 /nfs/dbraw/zinc/00/71/34/1172007134.db2.gz VREBUDIAHRZTPY-ZWKOPEQDSA-N 0 3 268.313 1.377 10 5 CDBEHN CCOC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])nc1 ZINC000816090984 823792460 /nfs/dbraw/zinc/79/24/60/823792460.db2.gz GRDULBQAEITBGP-MRVPVSSYSA-N 0 3 282.252 1.080 10 5 CDBEHN CC(COC(=O)[C@H]1CCC(=O)c2cccn21)[N+](=O)[O-] ZINC000813106625 828614612 /nfs/dbraw/zinc/61/46/12/828614612.db2.gz FVXRVYXMRSSYRX-PSASIEDQSA-N 0 3 266.253 1.214 10 5 CDBEHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(C)c1 ZINC000813103160 824414005 /nfs/dbraw/zinc/41/40/05/824414005.db2.gz ANCPPHNXWLTPEK-VIFPVBQESA-N 0 3 253.254 1.826 10 5 CDBEHN C[C@@](CO)(NCCN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000931469041 824720360 /nfs/dbraw/zinc/72/03/60/824720360.db2.gz NCOLFZFKISMOSJ-HNNXBMFYSA-N 0 3 293.367 1.488 10 5 CDBEHN CC(COC(=O)CO[C@@H]1CCCC[C@H]1C)[N+](=O)[O-] ZINC000813114366 824792945 /nfs/dbraw/zinc/79/29/45/824792945.db2.gz AGOAMIQTMJKURV-OUAUKWLOSA-N 0 3 259.302 1.790 10 5 CDBEHN CC(COC(=O)c1ccc(C(F)(F)F)nc1)[N+](=O)[O-] ZINC000813103657 825577698 /nfs/dbraw/zinc/57/76/98/825577698.db2.gz DIVNRLHRWAGRLK-LURJTMIESA-N 0 3 278.186 1.922 10 5 CDBEHN C[C@H]1[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000719383012 826218934 /nfs/dbraw/zinc/21/89/34/826218934.db2.gz YFUOGOTZODQCNN-KWQFWETISA-N 0 3 281.287 1.556 10 5 CDBEHN Cc1ccc2c(c1)CC[C@@H](C(=O)OCC(C)[N+](=O)[O-])O2 ZINC000813102071 826826186 /nfs/dbraw/zinc/82/61/86/826826186.db2.gz NKWCAIGKPQMGTN-MFKMUULPSA-N 0 3 279.292 1.897 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001642757572 1167194508 /nfs/dbraw/zinc/19/45/08/1167194508.db2.gz WDOQVJKNSFRALZ-JTQLQIEISA-N 0 3 278.312 1.001 10 5 CDBEHN NC(=O)[C@H]1CCCC[C@@H]1NCc1cccnc1[N+](=O)[O-] ZINC001645210829 1167376038 /nfs/dbraw/zinc/37/60/38/1167376038.db2.gz YRGQIHOEPHOMTA-QWRGUYRKSA-N 0 3 278.312 1.124 10 5 CDBEHN CN1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001178704626 915601546 /nfs/dbraw/zinc/60/15/46/915601546.db2.gz ZLSOTDLPUFPTQD-CYBMUJFWSA-N 0 3 291.351 1.594 10 5 CDBEHN CN(C)CCNc1cc(-n2ccnc2)ccc1[N+](=O)[O-] ZINC000038979836 342550422 /nfs/dbraw/zinc/55/04/22/342550422.db2.gz BCRUVUNFLILCIS-UHFFFAOYSA-N 0 3 275.312 1.754 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](CN)C(F)(F)F ZINC000401725105 342635238 /nfs/dbraw/zinc/63/52/38/342635238.db2.gz LDPTWRBBKVZMGJ-MRVPVSSYSA-N 0 3 291.229 1.523 10 5 CDBEHN COc1cc(CN(C[C@@H](C)O)C2CC2)ccc1[N+](=O)[O-] ZINC000594066376 342870223 /nfs/dbraw/zinc/87/02/23/342870223.db2.gz WITUHTVGTQFMKH-SNVBAGLBSA-N 0 3 280.324 1.949 10 5 CDBEHN CO[C@@H](CNCc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000594956007 342983410 /nfs/dbraw/zinc/98/34/10/342983410.db2.gz SQNJBHLCPAYZOA-JSGCOSHPSA-N 0 3 280.324 1.736 10 5 CDBEHN COc1ccc(CN[C@H](CO)C2CCC2)cc1[N+](=O)[O-] ZINC000594956291 342983457 /nfs/dbraw/zinc/98/34/57/342983457.db2.gz IZNWTRVAIQKKIU-GFCCVEGCSA-N 0 3 280.324 1.854 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@H](CO)C2CCC2)c(F)c1 ZINC000594958040 342983839 /nfs/dbraw/zinc/98/38/39/342983839.db2.gz YBUDAGXRQJGSEL-CYBMUJFWSA-N 0 3 268.288 1.985 10 5 CDBEHN N[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[C@H]1F ZINC000595260963 343014600 /nfs/dbraw/zinc/01/46/00/343014600.db2.gz PECRYMWKXJGLOE-CHWSQXEVSA-N 0 3 295.314 1.425 10 5 CDBEHN O=[N+]([O-])c1ccc2[nH]c(CN[C@H](CO)C3CCC3)nc2c1 ZINC000595617314 343110714 /nfs/dbraw/zinc/11/07/14/343110714.db2.gz RPONZDZOUPAIIP-CYBMUJFWSA-N 0 3 290.323 1.722 10 5 CDBEHN O=[N+]([O-])c1ccc(CCN2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000595756074 343141893 /nfs/dbraw/zinc/14/18/93/343141893.db2.gz DLCZLKDWAFRROK-GXTWGEPZSA-N 0 3 262.309 1.594 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCC[C@](O)(C3CC3)C2)c1 ZINC000595753296 343153102 /nfs/dbraw/zinc/15/31/02/343153102.db2.gz YLTJHFADZQMMNH-CYBMUJFWSA-N 0 3 280.328 1.028 10 5 CDBEHN O=[N+]([O-])c1ccc(OCCN2CC[C@H]3COC[C@H]3C2)cc1 ZINC000595833874 343169890 /nfs/dbraw/zinc/16/98/90/343169890.db2.gz SMZLUMGVAGNIDI-QWHCGFSZSA-N 0 3 292.335 1.942 10 5 CDBEHN CC(C)(C)N1CC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000596308831 343294033 /nfs/dbraw/zinc/29/40/33/343294033.db2.gz WFZILAGRUPFBHW-SNVBAGLBSA-N 0 3 264.329 1.696 10 5 CDBEHN COc1ccc(CN2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1[N+](=O)[O-] ZINC000599682261 344118449 /nfs/dbraw/zinc/11/84/49/344118449.db2.gz XWHBWDAVPSCGFL-NJZAAPMLSA-N 0 3 292.335 1.949 10 5 CDBEHN NC(=O)C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000120544584 362459714 /nfs/dbraw/zinc/45/97/14/362459714.db2.gz XYSYOWHMJSTPQA-CYBMUJFWSA-N 0 3 277.324 1.825 10 5 CDBEHN CCN1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000344422203 362767886 /nfs/dbraw/zinc/76/78/86/362767886.db2.gz BUALUXVLOIQWAP-LBPRGKRZSA-N 0 3 293.371 1.428 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1OC[C@H]1CNCCO1 ZINC000167027786 362957276 /nfs/dbraw/zinc/95/72/76/362957276.db2.gz CKSNETDLDGJDOT-LLVKDONJSA-N 0 3 252.270 1.270 10 5 CDBEHN CCN1CCN(c2ccc([N+](=O)[O-])c3nonc32)[C@H](C)C1 ZINC000286199192 356233657 /nfs/dbraw/zinc/23/36/57/356233657.db2.gz BPDLPFPGYJIYKK-SECBINFHSA-N 0 3 291.311 1.661 10 5 CDBEHN O=[N+]([O-])c1cnccc1NC1CCN(C2CC2)CC1 ZINC000340152757 359579028 /nfs/dbraw/zinc/57/90/28/359579028.db2.gz NPCQFPBJURBCCG-UHFFFAOYSA-N 0 3 262.313 1.450 10 5 CDBEHN Cc1nccn1CCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347791127 359648026 /nfs/dbraw/zinc/64/80/26/359648026.db2.gz UKPZQTFNSOXBBC-UHFFFAOYSA-N 0 3 287.323 1.553 10 5 CDBEHN Cn1cc([C@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000174866213 364585647 /nfs/dbraw/zinc/58/56/47/364585647.db2.gz HSQNCJHVNHFOGR-NSHDSACASA-N 0 3 290.327 1.014 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](CO)[C@@H]1CCCOC1 ZINC000414561145 241257715 /nfs/dbraw/zinc/25/77/15/241257715.db2.gz RUPIHIWEOXYYBH-UKRRQHHQSA-N 0 3 294.351 1.780 10 5 CDBEHN COc1ccc(CNC[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000089168709 370244456 /nfs/dbraw/zinc/24/44/56/370244456.db2.gz FMGLWHSGVOVAAQ-WCQYABFASA-N 0 3 280.324 1.854 10 5 CDBEHN CCN1CCC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173563601 378620956 /nfs/dbraw/zinc/62/09/56/378620956.db2.gz FIWWYKVWCQVWQZ-CYBMUJFWSA-N 0 3 291.351 1.738 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@]2(CNC(=O)C2)C1 ZINC000279164269 194312163 /nfs/dbraw/zinc/31/21/63/194312163.db2.gz AYFHIHZPSRGCDT-OAHLLOKOSA-N 0 3 289.335 1.615 10 5 CDBEHN C[C@H]1CN2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000408464283 391646470 /nfs/dbraw/zinc/64/64/70/391646470.db2.gz DTOFRLMJACAYIO-VHSXEESVSA-N 0 3 280.303 1.802 10 5 CDBEHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000069508245 391983845 /nfs/dbraw/zinc/98/38/45/391983845.db2.gz PQBMAYFXASRMFB-PWSUYJOCSA-N 0 3 277.324 1.681 10 5 CDBEHN CNC(=O)[C@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000421394219 392935178 /nfs/dbraw/zinc/93/51/78/392935178.db2.gz XKQRMMHCFDWZKY-LBPRGKRZSA-N 0 3 277.324 1.471 10 5 CDBEHN Cc1cc([C@H]2NC(=O)CCC2[N+](=O)[O-])c(C)n1C ZINC000238855881 392954692 /nfs/dbraw/zinc/95/46/92/392954692.db2.gz TUYCFZQTNREGEH-ZYHUDNBSSA-N 0 3 251.286 1.238 10 5 CDBEHN CC1=C[C@H](C)CN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000430285355 393097086 /nfs/dbraw/zinc/09/70/86/393097086.db2.gz QASQCFLEGRBQGW-JTQLQIEISA-N 0 3 250.302 1.689 10 5 CDBEHN CC(C)[C@](C)(CO)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352895411 393230551 /nfs/dbraw/zinc/23/05/51/393230551.db2.gz VGGAWWBPMIHFBO-AWEZNQCLSA-N 0 3 292.339 1.968 10 5 CDBEHN CCN(CC)C(=O)[C@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676125 174373958 /nfs/dbraw/zinc/37/39/58/174373958.db2.gz YZLKTFJOIDXYDV-LBPRGKRZSA-N 0 3 293.367 1.984 10 5 CDBEHN Cc1cc(NC(=O)CNCC2CC2)ccc1[N+](=O)[O-] ZINC000043570223 175068236 /nfs/dbraw/zinc/06/82/36/175068236.db2.gz UJARYUCDKRYFRC-UHFFFAOYSA-N 0 3 263.297 1.841 10 5 CDBEHN C[C@H]1CC[C@@H](O)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000399168391 270369787 /nfs/dbraw/zinc/36/97/87/270369787.db2.gz BYRQXXSFKIEQBR-GXFFZTMASA-N 0 3 250.298 1.940 10 5 CDBEHN O=C([C@H]1CCCCN1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000572881826 294710077 /nfs/dbraw/zinc/71/00/77/294710077.db2.gz WLMKHGYMUNFKLE-CYBMUJFWSA-N 0 3 290.323 1.017 10 5 CDBEHN CC(C)CNCc1cc([N+](=O)[O-])ccc1OCC(N)=O ZINC000062732047 519747084 /nfs/dbraw/zinc/74/70/84/519747084.db2.gz JDDUMUCMKFHQNR-UHFFFAOYSA-N 0 3 281.312 1.205 10 5 CDBEHN C[C@@H](CO)[C@@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000274051177 534143530 /nfs/dbraw/zinc/14/35/30/534143530.db2.gz PKHJYQGBSJDWPW-AXFHLTTASA-N 0 3 295.339 1.528 10 5 CDBEHN CCNCc1ccc(O[C@H](CC)C(N)=O)c([N+](=O)[O-])c1 ZINC000061675727 520000996 /nfs/dbraw/zinc/00/09/96/520000996.db2.gz ALJMQZNBTSHKQG-LLVKDONJSA-N 0 3 281.312 1.347 10 5 CDBEHN CCNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N(C)C ZINC000050779887 520328606 /nfs/dbraw/zinc/32/86/06/520328606.db2.gz UGHHOCDQCRBRND-JTQLQIEISA-N 0 3 294.355 1.707 10 5 CDBEHN CNC(C)(C)C(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000061316139 521941705 /nfs/dbraw/zinc/94/17/05/521941705.db2.gz CSTJGPKWKJNPJD-UHFFFAOYSA-N 0 3 251.286 1.840 10 5 CDBEHN CNC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000061318986 521942374 /nfs/dbraw/zinc/94/23/74/521942374.db2.gz VAHGGQWEVJUFKH-UHFFFAOYSA-N 0 3 251.286 1.840 10 5 CDBEHN CN[C@](C)(C[C@@H](C)Oc1cccc([N+](=O)[O-])c1C)C(N)=O ZINC000068651280 522519429 /nfs/dbraw/zinc/51/94/29/522519429.db2.gz BWEKCQYTIHOFPA-YMTOWFKASA-N 0 3 295.339 1.524 10 5 CDBEHN CO[C@H]1CN[C@H](C(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000050439860 524009095 /nfs/dbraw/zinc/00/90/95/524009095.db2.gz XLCZNDGNNJITBO-PWSUYJOCSA-N 0 3 293.323 1.527 10 5 CDBEHN Cc1cccc(OCC[C@@H](NC(C)C)C(N)=O)c1[N+](=O)[O-] ZINC000062540794 524751670 /nfs/dbraw/zinc/75/16/70/524751670.db2.gz PUKUQFMFULUOKU-LLVKDONJSA-N 0 3 295.339 1.524 10 5 CDBEHN CC(COC(=O)[C@H](C)OCc1ccccc1)[N+](=O)[O-] ZINC000813102181 617342058 /nfs/dbraw/zinc/34/20/58/617342058.db2.gz ORYCSTFZDGNEFQ-QWRGUYRKSA-N 0 3 267.281 1.800 10 5 CDBEHN CC(COC(=O)COc1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813103990 617342657 /nfs/dbraw/zinc/34/26/57/617342657.db2.gz VTYHOJHXHLGBJE-MRVPVSSYSA-N 0 3 284.224 1.182 10 5 CDBEHN Cc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928453787 619118998 /nfs/dbraw/zinc/11/89/98/619118998.db2.gz LHOPXZGAPDWVOA-JQWIXIFHSA-N 0 3 277.324 1.726 10 5 CDBEHN Cc1ccc(CN2C[C@@H](CO)[C@H](CCO)C2)cc1[N+](=O)[O-] ZINC001620677752 1172604930 /nfs/dbraw/zinc/60/49/30/1172604930.db2.gz WWTSBIPLDFHHSQ-KGLIPLIRSA-N 0 3 294.351 1.326 10 5 CDBEHN COC[C@@]1(C)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001618077197 1165621055 /nfs/dbraw/zinc/62/10/55/1165621055.db2.gz YYHYDMNOAUOTNB-AWEZNQCLSA-N 0 3 295.339 1.115 10 5 CDBEHN CCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001629903174 1166170962 /nfs/dbraw/zinc/17/09/62/1166170962.db2.gz QQXWFWDJXAGNNP-UHFFFAOYSA-N 0 3 294.355 1.591 10 5 CDBEHN Cc1cc(C)n(CCC(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813112650 829816281 /nfs/dbraw/zinc/81/62/81/829816281.db2.gz SCQBXKQETPYWKF-SNVBAGLBSA-N 0 3 255.274 1.098 10 5 CDBEHN CNC(=O)c1cccc(CCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813103853 833665227 /nfs/dbraw/zinc/66/52/27/833665227.db2.gz HEVMBUTVTJXMNF-JTQLQIEISA-N 0 3 294.307 1.187 10 5 CDBEHN CSc1cc(C(=O)OCC(C)[N+](=O)[O-])ccn1 ZINC000813111099 832530122 /nfs/dbraw/zinc/53/01/22/832530122.db2.gz CMGULUCWMOQWNI-SSDOTTSWSA-N 0 3 256.283 1.626 10 5 CDBEHN CC(C)Oc1ccc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813115265 832642604 /nfs/dbraw/zinc/64/26/04/832642604.db2.gz NZGZTWQQWLDZII-VIFPVBQESA-N 0 3 268.269 1.691 10 5 CDBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000855162320 832772540 /nfs/dbraw/zinc/77/25/40/832772540.db2.gz JABGEYKFPXRCCU-LLVKDONJSA-N 0 3 285.388 1.811 10 5 CDBEHN CC(COC(=O)[C@H](C)OC[C@H]1CCCCO1)[N+](=O)[O-] ZINC000813102204 835278407 /nfs/dbraw/zinc/27/84/07/835278407.db2.gz PGCZCFOCUCOKAC-GARJFASQSA-N 0 3 275.301 1.169 10 5 CDBEHN CCN1CC[C@@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000712593234 835321845 /nfs/dbraw/zinc/32/18/45/835321845.db2.gz XFKHNDDGXFOHPC-MRVPVSSYSA-N 0 3 252.274 1.202 10 5 CDBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C1(C)CC1 ZINC001567499109 1168812960 /nfs/dbraw/zinc/81/29/60/1168812960.db2.gz IJTSBTMIIUOSHZ-UHFFFAOYSA-N 0 3 291.351 1.943 10 5 CDBEHN Cc1cc(C(=O)N[C@@H]2CN(C)CC2(C)C)cc([N+](=O)[O-])c1 ZINC001178708173 915599452 /nfs/dbraw/zinc/59/94/52/915599452.db2.gz CXYNKXVBCBPCGJ-CYBMUJFWSA-N 0 3 291.351 1.973 10 5 CDBEHN CN(CCO)CCN(C)c1ccsc1[N+](=O)[O-] ZINC000691248349 917634810 /nfs/dbraw/zinc/63/48/10/917634810.db2.gz BZKPVEMSBHVDEU-UHFFFAOYSA-N 0 3 259.331 1.017 10 5 CDBEHN CN(C)CCn1cc(Nc2ncc(F)cc2[N+](=O)[O-])cn1 ZINC000601109788 342468924 /nfs/dbraw/zinc/46/89/24/342468924.db2.gz ZJABPVCEGJLRRU-UHFFFAOYSA-N 0 3 294.290 1.631 10 5 CDBEHN CN1C[C@H]2[C@@H](CCN2Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000590012532 342520150 /nfs/dbraw/zinc/52/01/50/342520150.db2.gz UPAVHLWEUPJUED-HZMBPMFUSA-N 0 3 279.315 1.870 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000590046954 342520893 /nfs/dbraw/zinc/52/08/93/342520893.db2.gz PMWIYBDMWHFBGO-BXUZGUMPSA-N 0 3 289.335 1.679 10 5 CDBEHN COC[C@@H]1C[C@@H](O)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000593060541 342761098 /nfs/dbraw/zinc/76/10/98/342761098.db2.gz AJUOOLBLNZIDFT-QWHCGFSZSA-N 0 3 296.323 1.055 10 5 CDBEHN CCN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCOC1 ZINC000593068047 342762155 /nfs/dbraw/zinc/76/21/55/342762155.db2.gz COLISRMFSTZNPQ-LLVKDONJSA-N 0 3 268.317 1.292 10 5 CDBEHN O=C(NC[C@@H]1CCN1C1CCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000600469180 342214749 /nfs/dbraw/zinc/21/47/49/342214749.db2.gz IAWFUKSIJPSBFY-JTQLQIEISA-N 0 3 293.327 1.065 10 5 CDBEHN CO[C@@](C)(CO)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594510859 342912566 /nfs/dbraw/zinc/91/25/66/342912566.db2.gz LWWGZIDUBKODKA-TZMCWYRMSA-N 0 3 280.324 1.569 10 5 CDBEHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCC[C@@]1(O)CCOC1 ZINC000594507384 342914700 /nfs/dbraw/zinc/91/47/00/342914700.db2.gz LCKCVKLNRCSCRA-UKRRQHHQSA-N 0 3 292.335 1.713 10 5 CDBEHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCC[C@]1(O)CCOC1 ZINC000594507385 342914847 /nfs/dbraw/zinc/91/48/47/342914847.db2.gz LCKCVKLNRCSCRA-ZFWWWQNUSA-N 0 3 292.335 1.713 10 5 CDBEHN CC(=O)c1ccc(OC[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000594698007 342943731 /nfs/dbraw/zinc/94/37/31/342943731.db2.gz GXYOOJLXYHQICQ-LLVKDONJSA-N 0 3 280.280 1.165 10 5 CDBEHN CN(CCc1ccccc1[N+](=O)[O-])C[C@]1(O)CCCOC1 ZINC000595485921 343075113 /nfs/dbraw/zinc/07/51/13/343075113.db2.gz ZGODIVNOLIXCMD-OAHLLOKOSA-N 0 3 294.351 1.611 10 5 CDBEHN CN(C)C[C@@H](CO)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599084936 343950787 /nfs/dbraw/zinc/95/07/87/343950787.db2.gz GJBJQFGAVBSRAQ-NSHDSACASA-N 0 3 290.323 1.477 10 5 CDBEHN CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599645732 344112685 /nfs/dbraw/zinc/11/26/85/344112685.db2.gz VFOSVFDPAFSFTN-KLPPZKSPSA-N 0 3 263.297 1.291 10 5 CDBEHN C[C@@](O)(C[C@H](O)CNCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000601966113 344298291 /nfs/dbraw/zinc/29/82/91/344298291.db2.gz PSZWZHPZPUIBLG-LSDHHAIUSA-N 0 3 294.351 1.596 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@H]2CCCS(=O)(=O)CC2)cc1 ZINC000602006253 344319813 /nfs/dbraw/zinc/31/98/13/344319813.db2.gz RJNKYMHBVCXCEG-LBPRGKRZSA-N 0 3 298.364 1.652 10 5 CDBEHN COc1cc(C[NH2+]CC[C@H]2CCOC2)c([N+](=O)[O-])cc1[O-] ZINC000344301033 362560575 /nfs/dbraw/zinc/56/05/75/362560575.db2.gz TWAVBCLCKIVQPI-JTQLQIEISA-N 0 3 296.323 1.825 10 5 CDBEHN CC(C)N1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000344424042 362766855 /nfs/dbraw/zinc/76/68/55/362766855.db2.gz SRUPYRGLZZASHY-NSHDSACASA-N 0 3 250.302 1.884 10 5 CDBEHN COCCN1CC[C@H](NCc2ccc([N+](=O)[O-])cc2C)C1 ZINC000273353667 192123329 /nfs/dbraw/zinc/12/33/29/192123329.db2.gz BPUJZJXKQJCDNM-AWEZNQCLSA-N 0 3 293.367 1.714 10 5 CDBEHN CCCc1n[nH]c(C(=O)NC[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000109620554 186267526 /nfs/dbraw/zinc/26/75/26/186267526.db2.gz VQXJOVALNLGLLH-VIFPVBQESA-N 0 3 295.343 1.094 10 5 CDBEHN C[C@H]1C[C@@H](O)CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000401688938 356426810 /nfs/dbraw/zinc/42/68/10/356426810.db2.gz DPQUOFJANPNXCJ-SMDDNHRTSA-N 0 3 264.325 1.840 10 5 CDBEHN CCN1CC[C@H](N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C1 ZINC000389263453 357352623 /nfs/dbraw/zinc/35/26/23/357352623.db2.gz DTDJNXFYFVXMNC-VIFPVBQESA-N 0 3 275.312 1.399 10 5 CDBEHN C[C@@H](N[C@H]1CCC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000084062948 357440677 /nfs/dbraw/zinc/44/06/77/357440677.db2.gz BQMWRMCUAUCEHW-PWSUYJOCSA-N 0 3 277.324 1.866 10 5 CDBEHN CC(=O)c1ccc(N2CC[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000062965971 358760479 /nfs/dbraw/zinc/76/04/79/358760479.db2.gz KQFXHPXAJAWKEX-GFCCVEGCSA-N 0 3 277.324 1.938 10 5 CDBEHN COc1cc(CN[C@H](C)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000450735894 358994447 /nfs/dbraw/zinc/99/44/47/358994447.db2.gz CQIMVDRMCJVMRR-NXEZZACHSA-N 0 3 268.313 1.710 10 5 CDBEHN C[C@H](NC[C@H](O)Cn1cccn1)c1ccccc1[N+](=O)[O-] ZINC000271758689 367028808 /nfs/dbraw/zinc/02/88/08/367028808.db2.gz OLTTZEDLTFRXNR-RYUDHWBXSA-N 0 3 290.323 1.503 10 5 CDBEHN C[C@@H](CO)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000272355195 367693275 /nfs/dbraw/zinc/69/32/75/367693275.db2.gz DSBSFKQESCZOEQ-DTWKUNHWSA-N 0 3 256.277 1.840 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)[C@@H](C)CO ZINC000295713098 370583496 /nfs/dbraw/zinc/58/34/96/370583496.db2.gz KIDKODDOXFWRDG-QWRGUYRKSA-N 0 3 295.339 1.448 10 5 CDBEHN CCN1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000389746798 373139388 /nfs/dbraw/zinc/13/93/88/373139388.db2.gz ULPBYWVCJTTYSG-JTQLQIEISA-N 0 3 281.287 1.558 10 5 CDBEHN C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cn2)CCN1C ZINC000266192522 373977719 /nfs/dbraw/zinc/97/77/19/373977719.db2.gz BWBASXVIGBZJGR-WDEREUQCSA-N 0 3 264.329 1.909 10 5 CDBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](CC(N)=O)C1 ZINC000368571670 374317535 /nfs/dbraw/zinc/31/75/35/374317535.db2.gz FMXDCPYJRRGCAF-MNOVXSKESA-N 0 3 277.324 1.853 10 5 CDBEHN C[C@H]1[C@@H](O)CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000296494639 376305437 /nfs/dbraw/zinc/30/54/37/376305437.db2.gz YYBLWPASIHAKNR-FZMZJTMJSA-N 0 3 280.324 1.819 10 5 CDBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@]2(CNC(=O)C2)C1 ZINC000278746839 194135789 /nfs/dbraw/zinc/13/57/89/194135789.db2.gz AQLPDFWCVYNALO-NHYWBVRUSA-N 0 3 289.335 1.868 10 5 CDBEHN CNC(=O)[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000420968084 392922760 /nfs/dbraw/zinc/92/27/60/392922760.db2.gz BECHSAPVIVTBBE-NSHDSACASA-N 0 3 293.323 1.042 10 5 CDBEHN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCN2CCC[C@@H]2C1 ZINC000195336146 140153838 /nfs/dbraw/zinc/15/38/38/140153838.db2.gz PAIKBZDDXFGYQS-LLVKDONJSA-N 0 3 293.298 1.654 10 5 CDBEHN CC(C)(C)[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000040459059 174268912 /nfs/dbraw/zinc/26/89/12/174268912.db2.gz HEZJECDAZJOMNN-SNVBAGLBSA-N 0 3 251.286 1.907 10 5 CDBEHN CO[C@H]1CN[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000040633272 174359700 /nfs/dbraw/zinc/35/97/00/174359700.db2.gz KQRACUWHGAAWMW-KOLCDFICSA-N 0 3 279.296 1.219 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)C1CC[NH2+]CC1 ZINC000043511955 175060740 /nfs/dbraw/zinc/06/07/40/175060740.db2.gz TVKHQTVSOCLXJS-UHFFFAOYSA-N 0 3 299.352 1.397 10 5 CDBEHN CCCNCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000044288118 175159733 /nfs/dbraw/zinc/15/97/33/175159733.db2.gz XAZRMIVESNAZJJ-UHFFFAOYSA-N 0 3 251.286 1.841 10 5 CDBEHN CNC(=O)CCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000044987607 175285116 /nfs/dbraw/zinc/28/51/16/175285116.db2.gz NBDAZIXKGNDZJQ-VIFPVBQESA-N 0 3 251.286 1.382 10 5 CDBEHN CC(C)N[C@H]1CCN(c2cc([N+](=O)[O-])ccc2F)C1=O ZINC000071040000 176027182 /nfs/dbraw/zinc/02/71/82/176027182.db2.gz YDYNTKUDLPVEII-NSHDSACASA-N 0 3 281.287 1.837 10 5 CDBEHN CN(C[C@@H]1CCN(C)C1)C(=O)c1ccc([N+](=O)[O-])c(N)c1 ZINC000071193198 176075285 /nfs/dbraw/zinc/07/52/85/176075285.db2.gz QBKAQXMYCQLOOL-SNVBAGLBSA-N 0 3 292.339 1.201 10 5 CDBEHN COC(=O)C[C@@]1(N)CCc2ccc([N+](=O)[O-])cc21 ZINC000091691540 277327763 /nfs/dbraw/zinc/32/77/63/277327763.db2.gz KEXFYLCQLKBIGG-LBPRGKRZSA-N 0 3 250.254 1.258 10 5 CDBEHN C[C@@H]1C[C@@H](C)N1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000547769353 289805879 /nfs/dbraw/zinc/80/58/79/289805879.db2.gz IUZYRPHIFRBQEC-IJLUTSLNSA-N 0 3 280.324 1.817 10 5 CDBEHN CN1CC[C@@H]2OCCN(c3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000284483999 290170169 /nfs/dbraw/zinc/17/01/69/290170169.db2.gz GTVYMOLBOGKIGO-KBPBESRZSA-N 0 3 295.314 1.643 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN1CCNC[C@@H]1C(F)F ZINC000563149628 293290719 /nfs/dbraw/zinc/29/07/19/293290719.db2.gz DNKBUUBOXVJMHQ-LLVKDONJSA-N 0 3 271.267 1.634 10 5 CDBEHN COCC[C@](C)(O)CNCc1ccc([N+](=O)[O-])cc1C ZINC000183477543 323337759 /nfs/dbraw/zinc/33/77/59/323337759.db2.gz FGAPIJUZFJJSJJ-AWEZNQCLSA-N 0 3 282.340 1.780 10 5 CDBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C(F)F ZINC001731886193 1159367343 /nfs/dbraw/zinc/36/73/43/1159367343.db2.gz DFESUQXISIJNAI-UHFFFAOYSA-N 0 3 287.266 1.408 10 5 CDBEHN CCNc1ccc(CN(C)C[C@@H](O)COC)cc1[N+](=O)[O-] ZINC000050817903 520298675 /nfs/dbraw/zinc/29/86/75/520298675.db2.gz CXURDIYERFOABC-GFCCVEGCSA-N 0 3 297.355 1.466 10 5 CDBEHN COCCNCc1ccc([N+](=O)[O-])c(OCC(F)F)c1 ZINC000062733350 523953087 /nfs/dbraw/zinc/95/30/87/523953087.db2.gz AOTHCBYBPRDYEI-UHFFFAOYSA-N 0 3 290.266 1.975 10 5 CDBEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000069132925 525096861 /nfs/dbraw/zinc/09/68/61/525096861.db2.gz SLUOHPMYUZBXOD-RKDXNWHRSA-N 0 3 281.287 1.556 10 5 CDBEHN NCc1ccc([N+](=O)[O-])c(O[C@@H]2CCCC[C@@H]2O)c1 ZINC000050516332 527259650 /nfs/dbraw/zinc/25/96/50/527259650.db2.gz AODNCRDLSNYDGS-NWDGAFQWSA-N 0 3 266.297 1.736 10 5 CDBEHN NNc1ccc(Cl)c(Cn2ccc([N+](=O)[O-])n2)n1 ZINC000061639338 527280078 /nfs/dbraw/zinc/28/00/78/527280078.db2.gz QTAXIGNOEMUAPN-UHFFFAOYSA-N 0 3 268.664 1.174 10 5 CDBEHN CC(COC(=O)c1cnn(CC(F)(F)F)c1)[N+](=O)[O-] ZINC000813107001 617344044 /nfs/dbraw/zinc/34/40/44/617344044.db2.gz JXVOKTCATKBCBO-ZCFIWIBFSA-N 0 3 281.190 1.267 10 5 CDBEHN CNc1c(C(=O)N[C@@H]2CCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000928433679 619074227 /nfs/dbraw/zinc/07/42/27/619074227.db2.gz BATBUXJAPLYDNS-MWLCHTKSSA-N 0 3 292.339 1.459 10 5 CDBEHN O=[N+]([O-])c1ccc(-c2cnc([C@@H]3CCCN3)nc2)cn1 ZINC000906171270 627141955 /nfs/dbraw/zinc/14/19/55/627141955.db2.gz RNGRMUNAMFVRLN-NSHDSACASA-N 0 3 271.280 1.871 10 5 CDBEHN O=[N+]([O-])c1cncc(Cl)c1N1CC(N[C@@H]2CCOC2)C1 ZINC001612979382 1165527590 /nfs/dbraw/zinc/52/75/90/1165527590.db2.gz YUFHQVSBPVNFBL-MRVPVSSYSA-N 0 3 298.730 1.210 10 5 CDBEHN C[C@@H]1[C@@H](CO)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001653448209 1171544321 /nfs/dbraw/zinc/54/43/21/1171544321.db2.gz AYQHKRIFBNUEQT-QKCSRTOESA-N 0 3 280.324 1.331 10 5 CDBEHN COc1ccccc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813107852 835785195 /nfs/dbraw/zinc/78/51/95/835785195.db2.gz XZBBOGWNJBVPLE-VIFPVBQESA-N 0 3 253.254 1.446 10 5 CDBEHN Cc1nn(CC(F)F)c(C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813115026 836025001 /nfs/dbraw/zinc/02/50/01/836025001.db2.gz JBUJCNJIXFZGBW-LURJTMIESA-N 0 3 291.254 1.587 10 5 CDBEHN CO[C@@](C)(CO)CNCc1cccc([N+](=O)[O-])c1C ZINC000702539131 836863522 /nfs/dbraw/zinc/86/35/22/836863522.db2.gz MSHDUYXCYPQKGR-CYBMUJFWSA-N 0 3 268.313 1.390 10 5 CDBEHN C[C@H](C(=O)N[C@@H]1CCN(C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000928444803 837150515 /nfs/dbraw/zinc/15/05/15/837150515.db2.gz VBWMQYFETUVEHY-COPLHBTASA-N 0 3 291.351 1.907 10 5 CDBEHN CC(COC(=O)c1cnn(Cc2ccccc2)c1)[N+](=O)[O-] ZINC000813109604 838917702 /nfs/dbraw/zinc/91/77/02/838917702.db2.gz UQPFPOJYKWDXMS-LLVKDONJSA-N 0 3 289.291 1.753 10 5 CDBEHN Cc1cnc(N[C@H]2CCN(CC(C)(C)O)C2)c([N+](=O)[O-])c1 ZINC000865998479 839566282 /nfs/dbraw/zinc/56/62/82/839566282.db2.gz JXMKOWINTGSQCO-NSHDSACASA-N 0 3 294.355 1.555 10 5 CDBEHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000787994222 841690566 /nfs/dbraw/zinc/69/05/66/841690566.db2.gz DFSPGNULPMYRCZ-NEPJUHHUSA-N 0 3 295.314 1.738 10 5 CDBEHN CO[C@](C)(CO)CNCc1cccc([N+](=O)[O-])c1C ZINC000702539133 841973671 /nfs/dbraw/zinc/97/36/71/841973671.db2.gz MSHDUYXCYPQKGR-ZDUSSCGKSA-N 0 3 268.313 1.390 10 5 CDBEHN O=[N+]([O-])c1ccc(NC[C@@H]2CN3CCC[C@@H]3CO2)cn1 ZINC000079617814 842658528 /nfs/dbraw/zinc/65/85/28/842658528.db2.gz VKWUMSISFIHJLK-VXGBXAGGSA-N 0 3 278.312 1.265 10 5 CDBEHN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC001347157174 965399281 /nfs/dbraw/zinc/39/92/81/965399281.db2.gz IBDAUIXKNHRSNP-GHMZBOCLSA-N 0 3 296.302 1.148 10 5 CDBEHN CN(C(=O)c1ccc([N+](=O)[O-])cc1N)[C@H]1CCCN(C)C1 ZINC001545090595 967404491 /nfs/dbraw/zinc/40/44/91/967404491.db2.gz JCFFSEAGICWGBX-NSHDSACASA-N 0 3 292.339 1.343 10 5 CDBEHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1cn[nH]n1 ZINC000600175787 341982978 /nfs/dbraw/zinc/98/29/78/341982978.db2.gz CIAYEZYAAHEJJV-JTQLQIEISA-N 0 3 275.312 1.824 10 5 CDBEHN O=[N+]([O-])c1cccc(CNCC[C@@H](O)C(F)F)c1 ZINC000601150151 342482438 /nfs/dbraw/zinc/48/24/38/342482438.db2.gz WTMJNIHJZSVWPT-SNVBAGLBSA-N 0 3 260.240 1.701 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593465511 342803714 /nfs/dbraw/zinc/80/37/14/342803714.db2.gz ALFRJRNEMIGIJF-LBPRGKRZSA-N 0 3 295.314 1.487 10 5 CDBEHN CO[C@](C)(CO)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594510855 342912649 /nfs/dbraw/zinc/91/26/49/342912649.db2.gz LWWGZIDUBKODKA-JSGCOSHPSA-N 0 3 280.324 1.569 10 5 CDBEHN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000595748833 343151621 /nfs/dbraw/zinc/15/16/21/343151621.db2.gz IFGMOBNKMFPOMV-JYAVWHMHSA-N 0 3 294.351 1.922 10 5 CDBEHN Cc1c(CN2CC[C@@H](F)[C@H](N)C2)cccc1[N+](=O)[O-] ZINC000595907790 343189123 /nfs/dbraw/zinc/18/91/23/343189123.db2.gz YKBUEQZCGHHSGP-VXGBXAGGSA-N 0 3 267.304 1.774 10 5 CDBEHN CC[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1 ZINC000598536628 343828485 /nfs/dbraw/zinc/82/84/85/343828485.db2.gz UTEPCRDAFDDBDP-WCQYABFASA-N 0 3 291.351 1.736 10 5 CDBEHN O=[N+]([O-])c1cnccc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000089602915 347599165 /nfs/dbraw/zinc/59/91/65/347599165.db2.gz ZPRANOZJFDEXAE-GFCCVEGCSA-N 0 3 292.339 1.655 10 5 CDBEHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CCC[C@@H]1O ZINC000089161697 179730498 /nfs/dbraw/zinc/73/04/98/179730498.db2.gz IROKUQWFNMAIBQ-AAEUAGOBSA-N 0 3 250.298 1.845 10 5 CDBEHN C[C@H](CO)[C@H](C)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000167106206 362978929 /nfs/dbraw/zinc/97/89/29/362978929.db2.gz XIWLLXAVVPAPCB-BDAKNGLRSA-N 0 3 256.277 1.840 10 5 CDBEHN CO[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[C@H]1C ZINC000189252827 357988760 /nfs/dbraw/zinc/98/87/60/357988760.db2.gz GXWNADMPSBLCJR-YPMHNXCESA-N 0 3 295.339 1.113 10 5 CDBEHN CN1CCC([C@@H]2C(=O)Nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000167739321 366412458 /nfs/dbraw/zinc/41/24/58/366412458.db2.gz UCQZXTLKDRLPQG-ZDUSSCGKSA-N 0 3 275.308 1.972 10 5 CDBEHN C[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000305761125 358652836 /nfs/dbraw/zinc/65/28/36/358652836.db2.gz KRTQOJIYHJIMFZ-SMDDNHRTSA-N 0 3 280.324 1.676 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CC[C@]3(O)CCCC[C@H]3C2)n1 ZINC000248146918 360409175 /nfs/dbraw/zinc/40/91/75/360409175.db2.gz QHTQOSAZRNWUML-GXTWGEPZSA-N 0 3 294.355 1.418 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](CO)[C@@H]1CCCOC1 ZINC000414561143 241257911 /nfs/dbraw/zinc/25/79/11/241257911.db2.gz RUPIHIWEOXYYBH-HIFRSBDPSA-N 0 3 294.351 1.780 10 5 CDBEHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[C@H]2O)c(F)c1 ZINC000311779385 374266690 /nfs/dbraw/zinc/26/66/90/374266690.db2.gz XBHXXELAJZUABS-GXFFZTMASA-N 0 3 268.288 1.985 10 5 CDBEHN O=[N+]([O-])c1ccc(C2=[N+]([O-])[C@@H]3CCCC[C@H]3[N+]([O-])=C2)cc1 ZINC000225405149 374300349 /nfs/dbraw/zinc/30/03/49/374300349.db2.gz IHKVUPKKDOPRNE-CHWSQXEVSA-N 0 3 291.307 1.583 10 5 CDBEHN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN2CCC[C@@H]2C1 ZINC000173575589 378645593 /nfs/dbraw/zinc/64/55/93/378645593.db2.gz WDLOASSQDUDXRS-CQSZACIVSA-N 0 3 289.335 1.444 10 5 CDBEHN CNC(=O)[C@H](C)CN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000246127735 379434667 /nfs/dbraw/zinc/43/46/67/379434667.db2.gz DVRVJOPHHAEXGU-GHMZBOCLSA-N 0 3 279.340 1.970 10 5 CDBEHN O=[N+]([O-])c1ccc(NC[C@@H]2CCCN2CCCO)cn1 ZINC000450587844 251352877 /nfs/dbraw/zinc/35/28/77/251352877.db2.gz ADIMKHFYASZSCX-LBPRGKRZSA-N 0 3 280.328 1.249 10 5 CDBEHN CC[C@H](CO)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000451157131 390602515 /nfs/dbraw/zinc/60/25/15/390602515.db2.gz HDAFDOWIIPULPD-LLVKDONJSA-N 0 3 268.313 1.806 10 5 CDBEHN COc1cccc(C(=O)NC[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000192567918 533409825 /nfs/dbraw/zinc/40/98/25/533409825.db2.gz IFJBRMUKYKHXPG-JTQLQIEISA-N 0 3 293.323 1.427 10 5 CDBEHN CNC(=O)[C@@H](NCCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000183671453 391291589 /nfs/dbraw/zinc/29/15/89/391291589.db2.gz JRXOVLQCHJHEDF-ZDUSSCGKSA-N 0 3 279.340 1.498 10 5 CDBEHN CN(C)CCN1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000069458135 391981365 /nfs/dbraw/zinc/98/13/65/391981365.db2.gz RFYREIARVKBLRA-UHFFFAOYSA-N 0 3 292.383 1.669 10 5 CDBEHN C[C@H](NC[C@@]1(O)CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000595424164 392567005 /nfs/dbraw/zinc/56/70/05/392567005.db2.gz OKXRSWSCDSIFEW-FZMZJTMJSA-N 0 3 280.324 1.787 10 5 CDBEHN COCCCN(C)CCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359093825 158125326 /nfs/dbraw/zinc/12/53/26/158125326.db2.gz HTLWGBNDGKYPAR-UHFFFAOYSA-N 0 3 296.371 1.987 10 5 CDBEHN CCCNCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000044288078 175159594 /nfs/dbraw/zinc/15/95/94/175159594.db2.gz NEUIFUDSJAOULS-UHFFFAOYSA-N 0 3 267.285 1.542 10 5 CDBEHN CCN[C@@H]1CCN(c2cc([N+](=O)[O-])ccc2F)C1=O ZINC000071040014 176027125 /nfs/dbraw/zinc/02/71/25/176027125.db2.gz LSZJONMDVZEINU-SNVBAGLBSA-N 0 3 267.260 1.449 10 5 CDBEHN CCCN[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000071038951 176027180 /nfs/dbraw/zinc/02/71/80/176027180.db2.gz SFVVPVYWYXGIFM-GFCCVEGCSA-N 0 3 263.297 1.700 10 5 CDBEHN CCN[C@@H]1CCN(c2ccc(F)c([N+](=O)[O-])c2)C1=O ZINC000071039943 176027285 /nfs/dbraw/zinc/02/72/85/176027285.db2.gz GQYBRMKFNXMJMY-SNVBAGLBSA-N 0 3 267.260 1.449 10 5 CDBEHN O=[N+]([O-])c1ccc(F)cc1CN1CCCN(CCO)CC1 ZINC000071349970 176134036 /nfs/dbraw/zinc/13/40/36/176134036.db2.gz WNWQOBOSOMPJQJ-UHFFFAOYSA-N 0 3 297.330 1.234 10 5 CDBEHN C[C@@H]1CN2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000408464280 274375034 /nfs/dbraw/zinc/37/50/34/274375034.db2.gz DTOFRLMJACAYIO-NXEZZACHSA-N 0 3 280.303 1.802 10 5 CDBEHN COc1cc(C[NH2+]CC2(CCO)CC2)c([N+](=O)[O-])cc1[O-] ZINC000189998710 279956235 /nfs/dbraw/zinc/95/62/35/279956235.db2.gz YOZULUAMLSBHSQ-UHFFFAOYSA-N 0 3 296.323 1.561 10 5 CDBEHN CN(C)CCN(C)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000576153878 317086056 /nfs/dbraw/zinc/08/60/56/317086056.db2.gz POGOESUFOBYBQQ-UHFFFAOYSA-N 0 3 278.356 1.866 10 5 CDBEHN CC(C)[C@H](CN(C)C)Nc1ncccc1[N+](=O)[O-] ZINC000049218685 519815041 /nfs/dbraw/zinc/81/50/41/519815041.db2.gz RJFJUPCJTSUHAL-JTQLQIEISA-N 0 3 252.318 1.988 10 5 CDBEHN CC[NH2+][C@H](C)CC(=O)Nc1ccc([O-])cc1[N+](=O)[O-] ZINC000061270025 520169473 /nfs/dbraw/zinc/16/94/73/520169473.db2.gz JXKFDKWOAYLAJG-MRVPVSSYSA-N 0 3 267.285 1.627 10 5 CDBEHN CN(C)C[C@@H]1CCCN1C(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000061656024 521834885 /nfs/dbraw/zinc/83/48/85/521834885.db2.gz VRQYXCIRINRDMP-NSHDSACASA-N 0 3 292.339 1.343 10 5 CDBEHN CN(C)C[C@@H]1CCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000061656011 521834951 /nfs/dbraw/zinc/83/49/51/521834951.db2.gz UMXRBCCUFHLDFI-NSHDSACASA-N 0 3 292.339 1.343 10 5 CDBEHN CN[C@@](C)(C[C@H](C)Oc1cccc([N+](=O)[O-])c1C)C(N)=O ZINC000068651272 522423429 /nfs/dbraw/zinc/42/34/29/522423429.db2.gz BWEKCQYTIHOFPA-XPTSAGLGSA-N 0 3 295.339 1.524 10 5 CDBEHN C[C@@H](Oc1cc(CN)ccc1[N+](=O)[O-])C(=O)NC(C)(C)C ZINC000050516456 525916270 /nfs/dbraw/zinc/91/62/70/525916270.db2.gz HOHYVIQXHHBWJD-SECBINFHSA-N 0 3 295.339 1.736 10 5 CDBEHN Cc1ccc(C(=O)N2[C@@H](C)CNC[C@@H]2C)cc1[N+](=O)[O-] ZINC000069133368 526141687 /nfs/dbraw/zinc/14/16/87/526141687.db2.gz CLBBHOJPUPQLDV-QWRGUYRKSA-N 0 3 277.324 1.726 10 5 CDBEHN NCc1ccc([N+](=O)[O-])c(OC[C@H](O)C(F)(F)F)c1 ZINC000068877399 527257316 /nfs/dbraw/zinc/25/73/16/527257316.db2.gz JJCPCHGCALZZTG-VIFPVBQESA-N 0 3 280.202 1.356 10 5 CDBEHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC23CCOCC3)c1 ZINC000368895731 527394735 /nfs/dbraw/zinc/39/47/35/527394735.db2.gz JZWHWRMZOYMFKF-CQSZACIVSA-N 0 3 292.335 1.883 10 5 CDBEHN O=[N+]([O-])c1ccccc1CCN1CCC[C@@H](O)C1 ZINC000062727274 527398058 /nfs/dbraw/zinc/39/80/58/527398058.db2.gz RSLFLFCOMNVUGU-GFCCVEGCSA-N 0 3 250.298 1.594 10 5 CDBEHN O=[N+]([O-])c1ccccc1CCN1CC[C@H](CO)C1 ZINC000062727299 527398622 /nfs/dbraw/zinc/39/86/22/527398622.db2.gz QOTVHQDIBPZEBC-NSHDSACASA-N 0 3 250.298 1.452 10 5 CDBEHN C[C@@H]1CCCN1CCNc1ccncc1[N+](=O)[O-] ZINC000742427832 576602687 /nfs/dbraw/zinc/60/26/87/576602687.db2.gz QXLDJBXGKZMYLE-SNVBAGLBSA-N 0 3 250.302 1.308 10 5 CDBEHN COc1cccc(CO[C@H](C)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813110708 617346067 /nfs/dbraw/zinc/34/60/67/617346067.db2.gz HYZQZKHTFCASMG-WDEREUQCSA-N 0 3 297.307 1.809 10 5 CDBEHN COCc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813113947 617347621 /nfs/dbraw/zinc/34/76/21/617347621.db2.gz WVONILUQFLBXHR-SECBINFHSA-N 0 3 253.254 1.655 10 5 CDBEHN Cc1cc(F)cc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000928443745 619089937 /nfs/dbraw/zinc/08/99/37/619089937.db2.gz VLVPPBOHYYYOGA-BXKDBHETSA-N 0 3 295.314 1.865 10 5 CDBEHN C[C@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000902926183 625642741 /nfs/dbraw/zinc/64/27/41/625642741.db2.gz AGSQDKXKEUGWON-KWQFWETISA-N 0 3 296.302 1.948 10 5 CDBEHN C[C@@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000902927003 625643800 /nfs/dbraw/zinc/64/38/00/625643800.db2.gz YLVDXOWFACKCIG-BXKDBHETSA-N 0 3 278.312 1.809 10 5 CDBEHN O=[N+]([O-])c1cc(CN[C@@H](CO)[C@H]2CCCOC2)cs1 ZINC001653887083 1171573431 /nfs/dbraw/zinc/57/34/31/1171573431.db2.gz FOUUQVGRHQBELM-QWRGUYRKSA-N 0 3 286.353 1.533 10 5 CDBEHN CC(C)CCn1cc(C(=O)OCC(C)[N+](=O)[O-])nn1 ZINC000813113969 844423834 /nfs/dbraw/zinc/42/38/34/844423834.db2.gz XHKPDIHUPBVJQC-VIFPVBQESA-N 0 3 270.289 1.146 10 5 CDBEHN Cc1cncc(CCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000797279144 844458243 /nfs/dbraw/zinc/45/82/43/844458243.db2.gz JKRADKZNDFNFRS-SNVBAGLBSA-N 0 3 252.270 1.531 10 5 CDBEHN CC(COC(=O)c1cccc2c1CC(=O)CC2)[N+](=O)[O-] ZINC000813107269 844620164 /nfs/dbraw/zinc/62/01/64/844620164.db2.gz ODCXDKAYCWCTQN-VIFPVBQESA-N 0 3 277.276 1.566 10 5 CDBEHN CCOc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813107879 843227995 /nfs/dbraw/zinc/22/79/95/843227995.db2.gz RJQLSWIJEBGXHS-SECBINFHSA-N 0 3 253.254 1.907 10 5 CDBEHN CC(COC(=O)Cc1c(F)cccc1F)[N+](=O)[O-] ZINC000813104950 843540403 /nfs/dbraw/zinc/54/04/03/843540403.db2.gz HWDVBBJANXZFNF-ZETCQYMHSA-N 0 3 259.208 1.716 10 5 CDBEHN CC[S@@](=O)CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000134638388 843926224 /nfs/dbraw/zinc/92/62/24/843926224.db2.gz SYNJRDKPMXKJTF-IBGZPJMESA-N 0 3 286.353 1.462 10 5 CDBEHN CC(COC(=O)c1ncsc1C(F)(F)F)[N+](=O)[O-] ZINC000813112238 845238092 /nfs/dbraw/zinc/23/80/92/845238092.db2.gz DOPRYRYLRVGBAX-BYPYZUCNSA-N 0 3 284.215 1.984 10 5 CDBEHN COc1ccc(OCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111746 845507072 /nfs/dbraw/zinc/50/70/72/845507072.db2.gz KUNHQXDHYNXXMG-SECBINFHSA-N 0 3 269.253 1.282 10 5 CDBEHN N[C@H](CCO)c1ccc(Br)cc1[N+](=O)[O-] ZINC000238673670 845602268 /nfs/dbraw/zinc/60/22/68/845602268.db2.gz VGQCOOUYVVDSLD-MRVPVSSYSA-N 0 3 275.102 1.740 10 5 CDBEHN C[C@@H]1CC[C@@H](O)CN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000817288702 846388234 /nfs/dbraw/zinc/38/82/34/846388234.db2.gz LGVAJYLQUNVVSU-LERXQTSPSA-N 0 3 280.324 1.473 10 5 CDBEHN CC(COC(=O)CCc1ccc(F)cc1)[N+](=O)[O-] ZINC000813100571 847275988 /nfs/dbraw/zinc/27/59/88/847275988.db2.gz UPEQEBYLAWRLTQ-SECBINFHSA-N 0 3 255.245 1.967 10 5 CDBEHN CC(COC(=O)c1cccc(C(=O)N(C)C)c1)[N+](=O)[O-] ZINC000813102761 847282234 /nfs/dbraw/zinc/28/22/34/847282234.db2.gz UYFNENTWMTYYDB-VIFPVBQESA-N 0 3 280.280 1.210 10 5 CDBEHN CC1(C)[C@H]2[C@H](CCCN2CCn2cc([N+](=O)[O-])cn2)[C@@H]1O ZINC000872257933 847580732 /nfs/dbraw/zinc/58/07/32/847580732.db2.gz MSHYLKWGKNQVJQ-XQQFMLRXSA-N 0 3 294.355 1.273 10 5 CDBEHN CC[S@](=O)CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000134638409 847894563 /nfs/dbraw/zinc/89/45/63/847894563.db2.gz SYNJRDKPMXKJTF-LJQANCHMSA-N 0 3 286.353 1.462 10 5 CDBEHN Cc1c(CN2C[C@H](CO)[C@H](CCO)C2)cccc1[N+](=O)[O-] ZINC001176964296 914404260 /nfs/dbraw/zinc/40/42/60/914404260.db2.gz AFLWSLSEXBLVNT-ZIAGYGMSSA-N 0 3 294.351 1.326 10 5 CDBEHN Cc1cc(N2CC(N[C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001187739859 920641587 /nfs/dbraw/zinc/64/15/87/920641587.db2.gz LWZHJWRZCSRWCP-NSHDSACASA-N 0 3 277.324 1.470 10 5 CDBEHN CN1CC[C@]2(CCN(c3ncc(F)cc3[N+](=O)[O-])C2)C1 ZINC000601168483 342485521 /nfs/dbraw/zinc/48/55/21/342485521.db2.gz YIAINSBHXKQRGP-ZDUSSCGKSA-N 0 3 280.303 1.661 10 5 CDBEHN CN(C)C1(CNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000401172353 342481476 /nfs/dbraw/zinc/48/14/76/342481476.db2.gz WAYODLZKEJWHSN-UHFFFAOYSA-N 0 3 254.265 1.635 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000590046955 342520899 /nfs/dbraw/zinc/52/08/99/342520899.db2.gz PMWIYBDMWHFBGO-FZMZJTMJSA-N 0 3 289.335 1.679 10 5 CDBEHN CN1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000609258036 342098836 /nfs/dbraw/zinc/09/88/36/342098836.db2.gz JCXCCJYIYJFOED-GFCCVEGCSA-N 0 3 277.324 1.348 10 5 CDBEHN Cc1c([C@@H](C)N[C@H]2C[C@@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000593717793 342828458 /nfs/dbraw/zinc/82/84/58/342828458.db2.gz NDRUCHZOVYBRHL-MXWKQRLJSA-N 0 3 277.324 1.818 10 5 CDBEHN O=C(NC[C@H]1CCN1C1CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000600473942 342215405 /nfs/dbraw/zinc/21/54/05/342215405.db2.gz VCCGCOSSQHYFRW-LLVKDONJSA-N 0 3 292.339 1.670 10 5 CDBEHN COc1cccc([N+](=O)[O-])c1N1CC(N(C)C)C1 ZINC000594569979 342919577 /nfs/dbraw/zinc/91/95/77/342919577.db2.gz YCQAFAYGYRDNMW-UHFFFAOYSA-N 0 3 251.286 1.354 10 5 CDBEHN CC(C)c1[nH]nc(C(=O)N(C)CC2CN(C)C2)c1[N+](=O)[O-] ZINC000598164674 343728208 /nfs/dbraw/zinc/72/82/08/343728208.db2.gz UINZXWJIIXJHAF-UHFFFAOYSA-N 0 3 295.343 1.075 10 5 CDBEHN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)N1 ZINC000598535350 343828131 /nfs/dbraw/zinc/82/81/31/343828131.db2.gz CDVCMMLROMURMT-VHSXEESVSA-N 0 3 295.314 1.946 10 5 CDBEHN COc1cc(C[NH2+]C[C@H]2C[C@@H](OC)C2)c([N+](=O)[O-])cc1[O-] ZINC000599018071 343945088 /nfs/dbraw/zinc/94/50/88/343945088.db2.gz UMKRYWYXIMOFTM-JGZJWPJOSA-N 0 3 296.323 1.824 10 5 CDBEHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H](O)[C@H]1CCCO1 ZINC000599065409 343947905 /nfs/dbraw/zinc/94/79/05/343947905.db2.gz LFTXRSJPGVNJEE-NWANDNLSSA-N 0 3 292.335 1.712 10 5 CDBEHN C[C@@](O)(C[C@@H](O)CNCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000601966112 344298156 /nfs/dbraw/zinc/29/81/56/344298156.db2.gz PSZWZHPZPUIBLG-HUUCEWRRSA-N 0 3 294.351 1.596 10 5 CDBEHN COc1cc(CN2C[C@@H]3COC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000601974453 344301228 /nfs/dbraw/zinc/30/12/28/344301228.db2.gz RWQPNQUACBAPIJ-TXEJJXNPSA-N 0 3 278.308 1.682 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CCCC1 ZINC000042505686 348726969 /nfs/dbraw/zinc/72/69/69/348726969.db2.gz OHUQTYBMSFIRMY-SNVBAGLBSA-N 0 3 292.339 1.512 10 5 CDBEHN C[C@H](NCC1(O)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000091957516 180291997 /nfs/dbraw/zinc/29/19/97/180291997.db2.gz QFKJBDVHQQREEK-NSHDSACASA-N 0 3 280.324 1.787 10 5 CDBEHN O=[N+]([O-])c1ccc(OCCN2[C@@H]3CC[C@H]2CC(O)C3)cc1 ZINC000111313569 186396408 /nfs/dbraw/zinc/39/64/08/186396408.db2.gz DTGWGKWXMSQJAD-PBWFPOADSA-N 0 3 292.335 1.961 10 5 CDBEHN CC(C)C[C@H](CN(C)C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000152908801 188052576 /nfs/dbraw/zinc/05/25/76/188052576.db2.gz LJJYDGGDXJZTHU-SECBINFHSA-N 0 3 283.332 1.024 10 5 CDBEHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000341036135 366178292 /nfs/dbraw/zinc/17/82/92/366178292.db2.gz IVWQVEXYRYTNQL-PHIMTYICSA-N 0 3 294.355 1.916 10 5 CDBEHN COC[C@@](C)(CCO)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000175852197 357399385 /nfs/dbraw/zinc/39/93/85/357399385.db2.gz BBXBMIMHJVTHOE-KEDPEKRHSA-N 0 3 294.351 1.985 10 5 CDBEHN COC[C@](C)(CCO)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000175852215 357399509 /nfs/dbraw/zinc/39/95/09/357399509.db2.gz BBXBMIMHJVTHOE-ZKKXHLJNSA-N 0 3 294.351 1.985 10 5 CDBEHN O=[N+]([O-])c1ccc(OC[C@@H]2CNCCO2)c(F)c1 ZINC000080745199 359002826 /nfs/dbraw/zinc/00/28/26/359002826.db2.gz RPGWMBBMHZMWPZ-VIFPVBQESA-N 0 3 256.233 1.101 10 5 CDBEHN CC1(C)NC(=O)CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000338475481 359136791 /nfs/dbraw/zinc/13/67/91/359136791.db2.gz DCYUXZWLKYNJOJ-LBPRGKRZSA-N 0 3 277.324 1.742 10 5 CDBEHN O=[N+]([O-])c1cccc(CN2CCNC[C@@H]2C(F)F)c1 ZINC000581071394 363964024 /nfs/dbraw/zinc/96/40/24/363964024.db2.gz LJKXVJVJUWIXRU-LLVKDONJSA-N 0 3 271.267 1.634 10 5 CDBEHN CN(C)[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000170863130 369978554 /nfs/dbraw/zinc/97/85/54/369978554.db2.gz IOMIOHJNXISQKH-GFCCVEGCSA-N 0 3 277.324 1.300 10 5 CDBEHN CSCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000178882687 372217154 /nfs/dbraw/zinc/21/71/54/372217154.db2.gz WLUTXBIYALRRPO-JTQLQIEISA-N 0 3 282.369 1.839 10 5 CDBEHN CC(C)c1ccc(CNC[C@](C)(O)CO)cc1[N+](=O)[O-] ZINC000619464230 374044075 /nfs/dbraw/zinc/04/40/75/374044075.db2.gz BPKJXACNLIFIHD-AWEZNQCLSA-N 0 3 282.340 1.551 10 5 CDBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](CC(N)=O)C1 ZINC000368571672 374317760 /nfs/dbraw/zinc/31/77/60/374317760.db2.gz FMXDCPYJRRGCAF-WDEREUQCSA-N 0 3 277.324 1.853 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](CC(N)=O)C1 ZINC000377848578 374622278 /nfs/dbraw/zinc/62/22/78/374622278.db2.gz YLZYAENJTQQDQV-NSHDSACASA-N 0 3 277.324 1.601 10 5 CDBEHN COC(=O)c1cc(N(C)CCN(C)C)cc(C)c1[N+](=O)[O-] ZINC000354383424 375703459 /nfs/dbraw/zinc/70/34/59/375703459.db2.gz GDERREKIRQUEGA-UHFFFAOYSA-N 0 3 295.339 1.688 10 5 CDBEHN C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CCN1CC(C)(C)O ZINC000443986368 250069334 /nfs/dbraw/zinc/06/93/34/250069334.db2.gz IHWDOXOTTSBJAH-NSHDSACASA-N 0 3 294.355 1.271 10 5 CDBEHN Cc1ccc(CN[C@@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000415010084 391716472 /nfs/dbraw/zinc/71/64/72/391716472.db2.gz XYDWBBXXUIHESP-GFCCVEGCSA-N 0 3 285.294 1.990 10 5 CDBEHN CC1=C[C@H](C)CN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430271390 393095428 /nfs/dbraw/zinc/09/54/28/393095428.db2.gz XHEYITGGSSXSNM-JTQLQIEISA-N 0 3 250.302 1.689 10 5 CDBEHN COCCC(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001663782421 1172761460 /nfs/dbraw/zinc/76/14/60/1172761460.db2.gz VLDOKKDVYPGQLV-UHFFFAOYSA-N 0 3 295.339 1.179 10 5 CDBEHN CN(C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000347022595 153381874 /nfs/dbraw/zinc/38/18/74/153381874.db2.gz YQUZHPYXOLTWMX-LBPRGKRZSA-N 0 3 289.335 1.904 10 5 CDBEHN CC(C)(C)[C@H](O)C[C@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000284201564 196003109 /nfs/dbraw/zinc/00/31/09/196003109.db2.gz YYHCNJSDLJUVTE-TZMCWYRMSA-N 0 3 296.367 1.842 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@H]2CN3CCC2CC3)o1 ZINC000037211631 173033102 /nfs/dbraw/zinc/03/31/02/173033102.db2.gz ZXRMBGRZTDBYQT-NSHDSACASA-N 0 3 251.286 1.372 10 5 CDBEHN N[C@@H](c1csc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300105 175000895 /nfs/dbraw/zinc/00/08/95/175000895.db2.gz DAVHBSAVVOOJNB-HZGVNTEJSA-N 0 3 276.339 1.091 10 5 CDBEHN O=[N+]([O-])c1cc(F)cc(N2CCCN(CCO)CC2)c1 ZINC000071349602 176133313 /nfs/dbraw/zinc/13/33/13/176133313.db2.gz ZNEGCTQMCZRPCJ-UHFFFAOYSA-N 0 3 283.303 1.238 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1C[C@@](C)(O)C1 ZINC000418106476 228059142 /nfs/dbraw/zinc/05/91/42/228059142.db2.gz NFRJJDGUSUODBN-BJHJDKERSA-N 0 3 250.298 1.906 10 5 CDBEHN Cc1cc([N+](=O)[O-])cnc1NC[C@H](O)CN1CCCCC1 ZINC000174683991 280665788 /nfs/dbraw/zinc/66/57/88/280665788.db2.gz BLHKMIMKHBODGV-ZDUSSCGKSA-N 0 3 294.355 1.557 10 5 CDBEHN O=C(NC1CCN(C2CC2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000531633778 281812035 /nfs/dbraw/zinc/81/20/35/281812035.db2.gz OQLIHSKVGZWFLZ-UHFFFAOYSA-N 0 3 290.323 1.346 10 5 CDBEHN CN1CC[C@H]2OCCN(c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000284577928 290237672 /nfs/dbraw/zinc/23/76/72/290237672.db2.gz OYAWUIZTWXFING-UONOGXRCSA-N 0 3 277.324 1.504 10 5 CDBEHN Cc1nc(N2CCO[C@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000284519100 293300093 /nfs/dbraw/zinc/30/00/93/293300093.db2.gz JXIMOIXHZRDZGF-STQMWFEESA-N 0 3 292.339 1.208 10 5 CDBEHN CC(C)CN1CCN(c2ccc([N+](=O)[O-])cc2CO)CC1 ZINC000055080009 519728856 /nfs/dbraw/zinc/72/88/56/519728856.db2.gz GPBPLBUIKWKXAC-UHFFFAOYSA-N 0 3 293.367 1.865 10 5 CDBEHN COCC[C@@H](N)C(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000052810410 521825550 /nfs/dbraw/zinc/82/55/50/521825550.db2.gz LPMWPRDARKELAP-SNVBAGLBSA-N 0 3 281.312 1.514 10 5 CDBEHN COCC[C@@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000052791430 521826583 /nfs/dbraw/zinc/82/65/83/521826583.db2.gz PXCHBSRKKUCYQP-SECBINFHSA-N 0 3 271.248 1.036 10 5 CDBEHN COCC[C@@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000052792397 521827009 /nfs/dbraw/zinc/82/70/09/521827009.db2.gz AMKQBEJWHMNAQU-SNVBAGLBSA-N 0 3 267.285 1.206 10 5 CDBEHN COCC[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000052791429 521946116 /nfs/dbraw/zinc/94/61/16/521946116.db2.gz PXCHBSRKKUCYQP-VIFPVBQESA-N 0 3 271.248 1.036 10 5 CDBEHN COCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000052792410 521947268 /nfs/dbraw/zinc/94/72/68/521947268.db2.gz WBSOEVYDIHPTSA-JTQLQIEISA-N 0 3 267.285 1.206 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(OCCC(=O)OC)c1 ZINC000069317429 522124102 /nfs/dbraw/zinc/12/41/02/522124102.db2.gz ISNWIFMKBJHKHJ-UHFFFAOYSA-N 0 3 268.269 1.256 10 5 CDBEHN CC[C@@H](Oc1ccc(CNC(C)C)cc1[N+](=O)[O-])C(N)=O ZINC000061675731 523040732 /nfs/dbraw/zinc/04/07/32/523040732.db2.gz UFZONBURNBJYJF-GFCCVEGCSA-N 0 3 295.339 1.736 10 5 CDBEHN C[C@H](Oc1cc(CN)ccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000050516463 525924199 /nfs/dbraw/zinc/92/41/99/525924199.db2.gz PBPAWZQENZUUOD-JTQLQIEISA-N 0 3 293.323 1.443 10 5 CDBEHN Cc1nn(CN(C)[C@H]2CCN(C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000732188612 575082895 /nfs/dbraw/zinc/08/28/95/575082895.db2.gz KVYUPNQCWONGBB-ZDUSSCGKSA-N 0 3 293.371 1.534 10 5 CDBEHN C[C@H](OC(=O)C1CCN(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000774016561 575848458 /nfs/dbraw/zinc/84/84/58/575848458.db2.gz SWRDVCPXQBXAPD-CABZTGNLSA-N 0 3 292.291 1.677 10 5 CDBEHN CC(COC(=O)COc1ccc(F)cc1)[N+](=O)[O-] ZINC000813105164 617343125 /nfs/dbraw/zinc/34/31/25/617343125.db2.gz WLKOJFBIMIILTB-MRVPVSSYSA-N 0 3 257.217 1.413 10 5 CDBEHN CCc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928437857 619080115 /nfs/dbraw/zinc/08/01/15/619080115.db2.gz JCDJEDCRGMLLNM-GXFFZTMASA-N 0 3 291.351 1.980 10 5 CDBEHN CCC/C=C\CCN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001699712135 1176580960 /nfs/dbraw/zinc/58/09/60/1176580960.db2.gz IABJNTUPGXUOBM-HLMASZERSA-N 0 3 295.383 1.541 10 5 CDBEHN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000775731394 697910588 /nfs/dbraw/zinc/91/05/88/697910588.db2.gz OINCEECHDYCYON-UONOGXRCSA-N 0 3 280.324 1.739 10 5 CDBEHN Cc1nn(C(F)F)c(C)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813100211 697924343 /nfs/dbraw/zinc/92/43/43/697924343.db2.gz PHKAJLKDXTVFOP-ZCFIWIBFSA-N 0 3 291.254 1.646 10 5 CDBEHN COc1ccc(C)cc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813115729 1163818361 /nfs/dbraw/zinc/81/83/61/1163818361.db2.gz YUXMLFAXZTVHRC-SNVBAGLBSA-N 0 3 267.281 1.755 10 5 CDBEHN CC(COC(=O)[C@H]1CCCN1C(=O)C(C)(C)C)[N+](=O)[O-] ZINC000813099863 698809535 /nfs/dbraw/zinc/80/95/35/698809535.db2.gz FQPGJOUCNFGJOR-NXEZZACHSA-N 0 3 286.328 1.232 10 5 CDBEHN CO[C@@H]1CCC[C@@H](CC(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813102171 698999829 /nfs/dbraw/zinc/99/98/29/698999829.db2.gz CDLXULCUJSGICC-HBNTYKKESA-N 0 3 259.302 1.790 10 5 CDBEHN COCc1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112862 848326438 /nfs/dbraw/zinc/32/64/38/848326438.db2.gz VADFEGQZSCYYHB-SNVBAGLBSA-N 0 3 267.281 1.584 10 5 CDBEHN CC(C)(O)C[C@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000872199217 849468059 /nfs/dbraw/zinc/46/80/59/849468059.db2.gz LEKFJNAXKGJIDS-LBPRGKRZSA-N 0 3 268.313 1.206 10 5 CDBEHN COc1ccc(/C=C\C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111553 849540219 /nfs/dbraw/zinc/54/02/19/849540219.db2.gz UQLWWOUEYXDJOV-DAGBOUIGSA-N 0 3 265.265 1.917 10 5 CDBEHN C[C@@H]1CC[C@H](CO)N1CCOc1ccccc1[N+](=O)[O-] ZINC000880440478 849560324 /nfs/dbraw/zinc/56/03/24/849560324.db2.gz DFGBEZXSPLGUEY-VXGBXAGGSA-N 0 3 280.324 1.819 10 5 CDBEHN Cc1cc(N2CC(N[C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001187739858 920642048 /nfs/dbraw/zinc/64/20/48/920642048.db2.gz LWZHJWRZCSRWCP-LLVKDONJSA-N 0 3 277.324 1.470 10 5 CDBEHN C[C@@H]1C[C@H](CO)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000860086985 929112799 /nfs/dbraw/zinc/11/27/99/929112799.db2.gz AEIRTBRVJVZOLO-JMSVASOKSA-N 0 3 294.351 1.721 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590046956 342520854 /nfs/dbraw/zinc/52/08/54/342520854.db2.gz PMWIYBDMWHFBGO-RISCZKNCSA-N 0 3 289.335 1.679 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c1 ZINC000590445629 342546492 /nfs/dbraw/zinc/54/64/92/342546492.db2.gz REZFNDIWYPXTFL-FZMZJTMJSA-N 0 3 289.335 1.679 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590446441 342546734 /nfs/dbraw/zinc/54/67/34/342546734.db2.gz VFTVNBCAWCRZHI-ZWNOBZJWSA-N 0 3 275.308 1.371 10 5 CDBEHN O=C(NC[C@@H]1CCN1C1CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000600472776 342215471 /nfs/dbraw/zinc/21/54/71/342215471.db2.gz QJYVLXBMFSKVBN-NSHDSACASA-N 0 3 292.339 1.670 10 5 CDBEHN CO[C@@](C)(CO)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000594513884 342913034 /nfs/dbraw/zinc/91/30/34/342913034.db2.gz UJASEDYLCSCXAL-SMDDNHRTSA-N 0 3 282.340 1.951 10 5 CDBEHN O=[N+]([O-])c1cccc(-c2cnn(C[C@@H]3CNCCO3)c2)c1 ZINC000594696488 342943038 /nfs/dbraw/zinc/94/30/38/342943038.db2.gz OSNBQCFTKRTDII-AWEZNQCLSA-N 0 3 288.307 1.447 10 5 CDBEHN O=[N+]([O-])c1cc(CN[C@H](CO)C2CCC2)cs1 ZINC000594955606 342983078 /nfs/dbraw/zinc/98/30/78/342983078.db2.gz CUMRJGZHQKGZLG-SNVBAGLBSA-N 0 3 256.327 1.907 10 5 CDBEHN O=[N+]([O-])c1cc(CNCC[C@]2(O)CCOC2)cs1 ZINC000404207278 349768761 /nfs/dbraw/zinc/76/87/61/349768761.db2.gz SPGOGSKHDHSFFL-NSHDSACASA-N 0 3 272.326 1.287 10 5 CDBEHN CN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H](CN)C(F)(F)F ZINC000595997074 343214271 /nfs/dbraw/zinc/21/42/71/343214271.db2.gz KUAGVXYBFPYWCQ-LURJTMIESA-N 0 3 297.258 1.618 10 5 CDBEHN C[C@H]1CCCCN1CCNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596075357 343226337 /nfs/dbraw/zinc/22/63/37/343226337.db2.gz HOXKKPJCYCGAHJ-JTQLQIEISA-N 0 3 279.344 1.280 10 5 CDBEHN C[C@H](N[C@@H](C)[C@H](C)CO)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000273921877 192363209 /nfs/dbraw/zinc/36/32/09/192363209.db2.gz BJJSDZOPIRSTHV-VWYCJHECSA-N 0 3 295.339 1.528 10 5 CDBEHN C[C@H](NC[C@@H]1COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000599075869 343949295 /nfs/dbraw/zinc/94/92/95/343949295.db2.gz ALLKDPNTYPPZJB-SMDDNHRTSA-N 0 3 279.340 1.576 10 5 CDBEHN Cc1ccc([C@H](C)N[C@H]2CCOC[C@@H]2O)cc1[N+](=O)[O-] ZINC000599081498 343957302 /nfs/dbraw/zinc/95/73/02/343957302.db2.gz NJNSXJWWRSMATP-JKOKRWQUSA-N 0 3 280.324 1.704 10 5 CDBEHN CCN1CCC(N(C)c2ccc([N+](=O)[O-])nc2)CC1 ZINC000344413996 362753558 /nfs/dbraw/zinc/75/35/58/362753558.db2.gz GCRNXJLFBQRSAJ-UHFFFAOYSA-N 0 3 264.329 1.910 10 5 CDBEHN CC1(C)OCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000295150117 199373723 /nfs/dbraw/zinc/37/37/23/199373723.db2.gz CZZQSETXLOTCIG-LBPRGKRZSA-N 0 3 293.323 1.351 10 5 CDBEHN O=[N+]([O-])c1cccnc1[S@@](=O)C[C@H]1CCCCN1 ZINC000095091882 365973418 /nfs/dbraw/zinc/97/34/18/365973418.db2.gz NERBZQKUQCJNRZ-DYBLOJMWSA-N 0 3 269.326 1.240 10 5 CDBEHN C[C@@H](N[C@@H]1CCC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000084062944 357439179 /nfs/dbraw/zinc/43/91/79/357439179.db2.gz BQMWRMCUAUCEHW-ZYHUDNBSSA-N 0 3 277.324 1.866 10 5 CDBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408153165 358201955 /nfs/dbraw/zinc/20/19/55/358201955.db2.gz IVSJSBGHYZTNSO-ZJUUUORDSA-N 0 3 278.312 1.232 10 5 CDBEHN C[C@@H](CO)[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000450738928 358995453 /nfs/dbraw/zinc/99/54/53/358995453.db2.gz OYOQFEWKUSKJIF-IUCAKERBSA-N 0 3 278.312 1.578 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)[C@@H](C)CO ZINC000450734028 358995567 /nfs/dbraw/zinc/99/55/67/358995567.db2.gz UGXVYZNJOKURAQ-QWRGUYRKSA-N 0 3 295.339 1.448 10 5 CDBEHN Cc1c(CN[C@@H]2CN(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000358311475 360949770 /nfs/dbraw/zinc/94/97/70/360949770.db2.gz PGUUYKVSZGWIKN-GXFFZTMASA-N 0 3 263.341 1.943 10 5 CDBEHN Cc1nc(NC[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000133619164 361415307 /nfs/dbraw/zinc/41/53/07/361415307.db2.gz DBHPMUZLSPWALR-JTQLQIEISA-N 0 3 250.302 1.804 10 5 CDBEHN CN(CCCCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000276351791 193296429 /nfs/dbraw/zinc/29/64/29/193296429.db2.gz IVTROFNOUZXHOU-UHFFFAOYSA-N 0 3 268.313 1.678 10 5 CDBEHN COc1cc(CN[C@H](C)[C@@H](C)CO)c([N+](=O)[O-])cc1F ZINC000295715068 370587405 /nfs/dbraw/zinc/58/74/05/370587405.db2.gz KNUSWMSOXHLPRL-DTWKUNHWSA-N 0 3 286.303 1.849 10 5 CDBEHN O=[N+]([O-])c1ccc2nc(OC[C@H]3CCC[NH2+]3)[n-]c2c1 ZINC000094772342 374847133 /nfs/dbraw/zinc/84/71/33/374847133.db2.gz BLYQXJQZQHNAEU-MRVPVSSYSA-N 0 3 262.269 1.602 10 5 CDBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@](C)(C(N)=O)C1 ZINC000280700295 375014785 /nfs/dbraw/zinc/01/47/85/375014785.db2.gz IIYBTEZLEUCHCN-YGRLFVJLSA-N 0 3 277.324 1.853 10 5 CDBEHN COCCN1CCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000074747211 377338656 /nfs/dbraw/zinc/33/86/56/377338656.db2.gz OXMIRTYYPYKQCR-GFCCVEGCSA-N 0 3 294.355 1.821 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@]1(O)CCO[C@H]1C ZINC000278557342 194043289 /nfs/dbraw/zinc/04/32/89/194043289.db2.gz CCTKGSDLZBIFTC-FZMZJTMJSA-N 0 3 280.324 1.533 10 5 CDBEHN COc1cc(CN(C[C@@H](C)O)[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000443325636 250021351 /nfs/dbraw/zinc/02/13/51/250021351.db2.gz HHHKLACDSOUIGG-WDEREUQCSA-N 0 3 298.339 1.167 10 5 CDBEHN CC[C@@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])NC ZINC000081961674 177908492 /nfs/dbraw/zinc/90/84/92/177908492.db2.gz APNARRSUJJAOJB-VIFPVBQESA-N 0 3 272.326 1.367 10 5 CDBEHN COc1cc(CN[C@@H]2C[C@@H](O)C2(C)C)ccc1[N+](=O)[O-] ZINC000574410250 391149675 /nfs/dbraw/zinc/14/96/75/391149675.db2.gz DITLXESWSCHVMJ-CHWSQXEVSA-N 0 3 280.324 1.852 10 5 CDBEHN CO[C@H](C)[C@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000191709887 130282673 /nfs/dbraw/zinc/28/26/73/130282673.db2.gz ADHPAKPXAQGJJA-HBNTYKKESA-N 0 3 295.339 1.935 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(N(C)C)CC1 ZINC000416291630 391983286 /nfs/dbraw/zinc/98/32/86/391983286.db2.gz PAEJVOSYOKCIKG-UHFFFAOYSA-N 0 3 278.312 1.122 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(N2CCO[C@H]3CCN(C)C[C@H]32)c1 ZINC000284470042 393191401 /nfs/dbraw/zinc/19/14/01/393191401.db2.gz FTEZHIUPZZIAAT-CABCVRRESA-N 0 3 291.351 1.813 10 5 CDBEHN C[C@@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000343162044 152055663 /nfs/dbraw/zinc/05/56/63/152055663.db2.gz ONRQHUJSMYDSEM-SNVBAGLBSA-N 0 3 280.328 1.527 10 5 CDBEHN COC(=O)c1ccc(OC[C@@H](C)N(C)C)c([N+](=O)[O-])c1 ZINC000358848320 158050925 /nfs/dbraw/zinc/05/09/25/158050925.db2.gz AWSVCIPQLILQKB-SECBINFHSA-N 0 3 282.296 1.710 10 5 CDBEHN C[C@H](N)C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000037365490 173154424 /nfs/dbraw/zinc/15/44/24/173154424.db2.gz FBDIFXFJOOXEJH-YFKPBYRVSA-N 0 3 277.202 1.899 10 5 CDBEHN COc1ccc(NC(=O)CNC(C)C)c([N+](=O)[O-])c1 ZINC000037386059 173169264 /nfs/dbraw/zinc/16/92/64/173169264.db2.gz VAZDOCXSIDUFQX-UHFFFAOYSA-N 0 3 267.285 1.540 10 5 CDBEHN COC(=O)CCNCCOc1ccc([N+](=O)[O-])cc1 ZINC000038079489 174089129 /nfs/dbraw/zinc/08/91/29/174089129.db2.gz MUSGPCOYSFSQPH-UHFFFAOYSA-N 0 3 268.269 1.126 10 5 CDBEHN CCNCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000044286718 175159393 /nfs/dbraw/zinc/15/93/93/175159393.db2.gz MOBDXRYSLGQPCC-UHFFFAOYSA-N 0 3 257.677 1.796 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CNC[C@H](C)N(C)C ZINC000045107720 175308299 /nfs/dbraw/zinc/30/82/99/175308299.db2.gz COHUQNCIJLRWKK-JTQLQIEISA-N 0 3 267.329 1.643 10 5 CDBEHN O=C1[C@H](NC2CC2)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000071034355 176024454 /nfs/dbraw/zinc/02/44/54/176024454.db2.gz AHUYSVBHIQDPOJ-GFCCVEGCSA-N 0 3 275.308 1.448 10 5 CDBEHN C[C@@H](NC[C@@H](O)CN(C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000289654357 278349805 /nfs/dbraw/zinc/34/98/05/278349805.db2.gz XOGJZAROHDSEAO-DGCLKSJQSA-N 0 3 293.367 1.701 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN1C ZINC000195316700 280078263 /nfs/dbraw/zinc/07/82/63/280078263.db2.gz JDUOMCCSUFFGRB-LBPRGKRZSA-N 0 3 277.324 1.727 10 5 CDBEHN Cc1cc(N2CCO[C@H](CN(C)C)C2)ncc1[N+](=O)[O-] ZINC000266838213 280564676 /nfs/dbraw/zinc/56/46/76/280564676.db2.gz KUXBANDZQFQKRI-LLVKDONJSA-N 0 3 280.328 1.065 10 5 CDBEHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@]2(CNC(=O)C2)C1 ZINC000278856084 290267915 /nfs/dbraw/zinc/26/79/15/290267915.db2.gz KRQBQJGPVAQHEN-ABAIWWIYSA-N 0 3 289.335 1.868 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(OCC(=O)OCC)c1 ZINC000050516992 520001194 /nfs/dbraw/zinc/00/11/94/520001194.db2.gz REMACOSLDOCFQS-UHFFFAOYSA-N 0 3 282.296 1.646 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(OCc2ncccn2)c1 ZINC000054458565 522124213 /nfs/dbraw/zinc/12/42/13/522124213.db2.gz HBHVRKICMFXLCM-UHFFFAOYSA-N 0 3 274.280 1.683 10 5 CDBEHN NC(=O)[C@](N)(CSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000069184504 527016050 /nfs/dbraw/zinc/01/60/50/527016050.db2.gz BRYDAEUXSRTRKF-LBPRGKRZSA-N 0 3 281.337 1.280 10 5 CDBEHN O=[N+]([O-])c1ccc(CCNCc2ccncn2)cc1 ZINC000054789761 527347208 /nfs/dbraw/zinc/34/72/08/527347208.db2.gz MFRYNDBNNSNDTN-UHFFFAOYSA-N 0 3 258.281 1.717 10 5 CDBEHN O=C1[C@H](N2CC[C@H]3C[C@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000761087090 576545465 /nfs/dbraw/zinc/54/54/65/576545465.db2.gz CBVUUMKMQLPADF-ZLKJLUDKSA-N 0 3 287.319 1.794 10 5 CDBEHN CC(COC(=O)c1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000813105329 617343226 /nfs/dbraw/zinc/34/32/26/617343226.db2.gz XQACFHOVDOXXTP-SSDOTTSWSA-N 0 3 253.210 1.237 10 5 CDBEHN CC(C)c1nnc(CCC(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813107646 617344366 /nfs/dbraw/zinc/34/43/66/617344366.db2.gz PTGFVLKDSWCOSP-QMMMGPOBSA-N 0 3 271.273 1.334 10 5 CDBEHN CO[C@](C)(C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813111992 1163815813 /nfs/dbraw/zinc/81/58/13/1163815813.db2.gz MHEUJALXBBBFNG-MFKMUULPSA-N 0 3 267.281 1.757 10 5 CDBEHN CC(COC(=O)c1cccnc1OCC(F)F)[N+](=O)[O-] ZINC000813101958 706020351 /nfs/dbraw/zinc/02/03/51/706020351.db2.gz LYVSKCSGHXOUPJ-SSDOTTSWSA-N 0 3 290.222 1.548 10 5 CDBEHN CC[C@@H](OC1CCCC1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813108751 706139677 /nfs/dbraw/zinc/13/96/77/706139677.db2.gz LKBHGZJWSFIDBY-GXSJLCMTSA-N 0 3 259.302 1.933 10 5 CDBEHN COCCCOc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813106743 709499550 /nfs/dbraw/zinc/49/95/50/709499550.db2.gz HGJXAVCFFDXCJP-NSHDSACASA-N 0 3 297.307 1.924 10 5 CDBEHN COc1cccc(OC)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813101893 710031254 /nfs/dbraw/zinc/03/12/54/710031254.db2.gz KZIFUCMVKNZLMM-SECBINFHSA-N 0 3 283.280 1.455 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN(CC(C)(C)O)C2)n1 ZINC000865998456 710235187 /nfs/dbraw/zinc/23/51/87/710235187.db2.gz INTVLHTWEBHEIB-NSHDSACASA-N 0 3 294.355 1.555 10 5 CDBEHN CC(COC(=O)/C=C\c1cncc(F)c1)[N+](=O)[O-] ZINC000813106862 710324667 /nfs/dbraw/zinc/32/46/67/710324667.db2.gz IXWVGOSWFPGSIS-KZUAUGPASA-N 0 3 254.217 1.442 10 5 CDBEHN CN1CC[C@H]1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000712551603 710536233 /nfs/dbraw/zinc/53/62/33/710536233.db2.gz ZBMAJFUQVCTQDN-VIFPVBQESA-N 0 3 261.285 1.587 10 5 CDBEHN CCOC(=O)c1cnc(C)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112658 710545265 /nfs/dbraw/zinc/54/52/65/710545265.db2.gz SJUPRTHONSTTNI-QMMMGPOBSA-N 0 3 296.279 1.389 10 5 CDBEHN CC(C)(O)CN1CC[C@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000865996525 710743018 /nfs/dbraw/zinc/74/30/18/710743018.db2.gz IZGQDFDOSAFALF-JTQLQIEISA-N 0 3 280.328 1.247 10 5 CDBEHN CC(COC(=O)c1ccnc(N2CC[C@H](C)C2)c1)[N+](=O)[O-] ZINC000813107999 711639995 /nfs/dbraw/zinc/63/99/95/711639995.db2.gz SSLLIYZHIAYGRL-WDEREUQCSA-N 0 3 293.323 1.750 10 5 CDBEHN CO[C@H](C)c1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813102940 711687053 /nfs/dbraw/zinc/68/70/53/711687053.db2.gz WOXMLJUDKLEAGS-POYBYMJQSA-N 0 3 288.325 1.981 10 5 CDBEHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H]2C[C@@H]21 ZINC000784224411 711703857 /nfs/dbraw/zinc/70/38/57/711703857.db2.gz VOLUUIWYFIIUEF-WZRBSPASSA-N 0 3 278.308 1.429 10 5 CDBEHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@H]2C)c1 ZINC000928445181 711799731 /nfs/dbraw/zinc/79/97/31/711799731.db2.gz OZWLFQIMOJGFBB-JOYOIKCWSA-N 0 3 293.323 1.426 10 5 CDBEHN CC(COC(=O)[C@@H](c1ccccc1)n1cccn1)[N+](=O)[O-] ZINC000813112928 711822584 /nfs/dbraw/zinc/82/25/84/711822584.db2.gz MGOBMIXXGKUJCP-WCQYABFASA-N 0 3 289.291 1.681 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CCCC[C@]23CCOC3)n1 ZINC001198761231 925520091 /nfs/dbraw/zinc/52/00/91/925520091.db2.gz GCONLWFKNXFYBR-CYBMUJFWSA-N 0 3 280.328 1.436 10 5 CDBEHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)[C@H](C)CCO1 ZINC001655119866 1171669634 /nfs/dbraw/zinc/66/96/34/1171669634.db2.gz FDKNEQVRBBOGEU-GHMZBOCLSA-N 0 3 268.317 1.291 10 5 CDBEHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000590345129 342537381 /nfs/dbraw/zinc/53/73/81/342537381.db2.gz SDRFGRHJGBCYBP-LLVKDONJSA-N 0 3 292.339 1.546 10 5 CDBEHN C[C@@H]1[C@@H](O)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000590759048 342588605 /nfs/dbraw/zinc/58/86/05/342588605.db2.gz IRNRRPYMYWXCIE-PWSUYJOCSA-N 0 3 266.297 1.429 10 5 CDBEHN Cc1ccc([C@H](C)NCCc2cn(C)nn2)cc1[N+](=O)[O-] ZINC000592393217 342690625 /nfs/dbraw/zinc/69/06/25/342690625.db2.gz WFXKNUHOFRATLA-NSHDSACASA-N 0 3 289.339 1.925 10 5 CDBEHN NC(=O)[C@H]1C[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594507421 342914702 /nfs/dbraw/zinc/91/47/02/342914702.db2.gz MPASQFXBOZMEAC-VDDIYKPWSA-N 0 3 275.308 1.436 10 5 CDBEHN CO[C@](C)(CO)CNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000594509658 342915007 /nfs/dbraw/zinc/91/50/07/342915007.db2.gz JZVFRHJIESFLRU-BLMSOEDDSA-N 0 3 294.351 1.985 10 5 CDBEHN N[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595260751 343014327 /nfs/dbraw/zinc/01/43/27/343014327.db2.gz KNUVSGJBUWOSHG-VXGBXAGGSA-N 0 3 281.287 1.035 10 5 CDBEHN COC[C@@H](CN(C)CCc1ccccc1[N+](=O)[O-])OC ZINC000595485091 343065961 /nfs/dbraw/zinc/06/59/61/343065961.db2.gz RIRQEGXCDCHCLK-CYBMUJFWSA-N 0 3 282.340 1.731 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN[C@@H](CO)C1CCC1 ZINC000595618039 343110799 /nfs/dbraw/zinc/11/07/99/343110799.db2.gz WKBMAEJTOBMEQM-LBPRGKRZSA-N 0 3 250.298 1.845 10 5 CDBEHN O=[N+]([O-])c1ccc(CN2CC[C@@H](Cn3ccnn3)C2)cc1 ZINC000595609612 343108433 /nfs/dbraw/zinc/10/84/33/343108433.db2.gz ZLDVSLHSVMFDED-CYBMUJFWSA-N 0 3 287.323 1.708 10 5 CDBEHN NCc1cccc([N+](=O)[O-])c1I ZINC000238684593 362198759 /nfs/dbraw/zinc/19/87/59/362198759.db2.gz FUHIWAHGEKLPQU-UHFFFAOYSA-N 0 3 278.049 1.658 10 5 CDBEHN CCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CCN(C)C1 ZINC000597945067 343675428 /nfs/dbraw/zinc/67/54/28/343675428.db2.gz HMMFJFBOCHTOLS-SNVBAGLBSA-N 0 3 280.328 1.100 10 5 CDBEHN O=[N+]([O-])c1cnc(NC[C@H]2CCN2C2CCCCC2)nc1 ZINC000599126997 343964035 /nfs/dbraw/zinc/96/40/35/343964035.db2.gz LDVRDDORNSHLOD-GFCCVEGCSA-N 0 3 291.355 1.626 10 5 CDBEHN COc1cc(CN2CC[C@@H]3CC[C@@H](O)[C@@H]32)ccc1[N+](=O)[O-] ZINC000599681935 344118495 /nfs/dbraw/zinc/11/84/95/344118495.db2.gz FFENMZUYYORTRR-NJZAAPMLSA-N 0 3 292.335 1.949 10 5 CDBEHN CC1(C)OCC[C@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000295147977 199371487 /nfs/dbraw/zinc/37/14/87/199371487.db2.gz CVZRTQLUNNVVGH-QWHCGFSZSA-N 0 3 280.324 1.785 10 5 CDBEHN O=[N+]([O-])c1ccc([S@@](=O)C[C@H]2CCCCN2)nc1 ZINC000095091953 365943503 /nfs/dbraw/zinc/94/35/03/365943503.db2.gz RQFHXVLYFBOWJQ-DYBLOJMWSA-N 0 3 269.326 1.240 10 5 CDBEHN C[C@@H](NC[C@H]1CN(C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000091666878 180221964 /nfs/dbraw/zinc/22/19/64/180221964.db2.gz BVFWVIGMVFFPCL-RISCZKNCSA-N 0 3 279.340 1.576 10 5 CDBEHN Nc1c(C(=O)N2CCN3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000157334165 188311037 /nfs/dbraw/zinc/31/10/37/188311037.db2.gz ZHIDFQONQDTVKO-SNVBAGLBSA-N 0 3 290.323 1.097 10 5 CDBEHN CC[C@@H]1CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000292568317 198335799 /nfs/dbraw/zinc/33/57/99/198335799.db2.gz ZTKYLGAOWWCTGH-DGCLKSJQSA-N 0 3 280.324 1.819 10 5 CDBEHN CC[C@H]1CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000292568313 198336388 /nfs/dbraw/zinc/33/63/88/198336388.db2.gz ZTKYLGAOWWCTGH-AAEUAGOBSA-N 0 3 280.324 1.819 10 5 CDBEHN CC[C@H](NCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000037010465 363313877 /nfs/dbraw/zinc/31/38/77/363313877.db2.gz VHASWOFGQWZTCU-HNNXBMFYSA-N 0 3 293.367 1.968 10 5 CDBEHN Cc1c(CC(=O)N2CC[C@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000119945195 359047517 /nfs/dbraw/zinc/04/75/17/359047517.db2.gz LBTXUQPCINGBTR-ZDUSSCGKSA-N 0 3 291.351 1.608 10 5 CDBEHN C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)CN1C ZINC000408453177 359789463 /nfs/dbraw/zinc/78/94/63/359789463.db2.gz RBYGRIZGIGVEOB-UWVGGRQHSA-N 0 3 289.339 2.000 10 5 CDBEHN COC[C@@H](CN[C@@H](C)c1ccccc1[N+](=O)[O-])OC ZINC000227691071 360532255 /nfs/dbraw/zinc/53/22/55/360532255.db2.gz YZRCOBWAVIAJCE-WDEREUQCSA-N 0 3 268.313 1.907 10 5 CDBEHN CN1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531628942 374504851 /nfs/dbraw/zinc/50/48/51/374504851.db2.gz FAAYAHNKMYOBKU-JTQLQIEISA-N 0 3 278.312 1.061 10 5 CDBEHN CN(CCc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000092971489 374713103 /nfs/dbraw/zinc/71/31/03/374713103.db2.gz IEJLBIMHMDOCLS-UHFFFAOYSA-N 0 3 252.314 1.840 10 5 CDBEHN Cc1ccc(CN[C@@H]2CCC(=O)N[C@@H]2C)cc1[N+](=O)[O-] ZINC000282306709 375077222 /nfs/dbraw/zinc/07/72/22/375077222.db2.gz KDFMPYCUMKLHAS-ZYHUDNBSSA-N 0 3 277.324 1.660 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](O)C[C@@H]1C ZINC000471802961 375056475 /nfs/dbraw/zinc/05/64/75/375056475.db2.gz DYSJGIHJQMUMFW-GWCFXTLKSA-N 0 3 250.298 1.858 10 5 CDBEHN CCOC[C@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266765571 375328893 /nfs/dbraw/zinc/32/88/93/375328893.db2.gz HSZXUECVORAEBA-GHMZBOCLSA-N 0 3 268.313 1.643 10 5 CDBEHN CCN1CCCC[C@H]1CNc1ccncc1[N+](=O)[O-] ZINC000347316435 375524090 /nfs/dbraw/zinc/52/40/90/375524090.db2.gz PFPSEKAMIZGMNO-NSHDSACASA-N 0 3 264.329 1.698 10 5 CDBEHN Cc1c(CN2C[C@H](C(N)=O)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000069581018 378333186 /nfs/dbraw/zinc/33/31/86/378333186.db2.gz GNVYTMPRYUWXIM-GXFFZTMASA-N 0 3 291.351 1.989 10 5 CDBEHN CCN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000048753455 391376136 /nfs/dbraw/zinc/37/61/36/391376136.db2.gz VDFHBPPGQDDGAQ-LBPRGKRZSA-N 0 3 277.324 1.809 10 5 CDBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000113229141 392868300 /nfs/dbraw/zinc/86/83/00/392868300.db2.gz HWVYQMQQMPJAHV-SMDDNHRTSA-N 0 3 289.335 1.904 10 5 CDBEHN CNC(=O)[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000420968083 392922614 /nfs/dbraw/zinc/92/26/14/392922614.db2.gz BECHSAPVIVTBBE-LLVKDONJSA-N 0 3 293.323 1.042 10 5 CDBEHN CN(c1c([N+](=O)[O-])ncn1C)[C@H]1CCN(C2CC2)C1 ZINC000354074404 156255909 /nfs/dbraw/zinc/25/59/09/156255909.db2.gz GBWSLWZAOWLTCI-JTQLQIEISA-N 0 3 265.317 1.001 10 5 CDBEHN CCN(C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355600924 157137811 /nfs/dbraw/zinc/13/78/11/157137811.db2.gz GJSYDIDPHMXFFX-UHFFFAOYSA-N 0 3 282.296 1.598 10 5 CDBEHN CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc([O-])cc1[N+](=O)[O-] ZINC000037000688 172859682 /nfs/dbraw/zinc/85/96/82/172859682.db2.gz SMYXLPCHFHWHBU-HQJQHLMTSA-N 0 3 267.285 1.612 10 5 CDBEHN CC(C)OC(=O)COc1ccc(CN)cc1[N+](=O)[O-] ZINC000043445928 175047681 /nfs/dbraw/zinc/04/76/81/175047681.db2.gz ZMRQBIXESVAZIW-UHFFFAOYSA-N 0 3 268.269 1.384 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1N1CC[C@H](NC2CC2)C1=O ZINC000071042985 176029128 /nfs/dbraw/zinc/02/91/28/176029128.db2.gz NRQZGMMVFVFVID-NSHDSACASA-N 0 3 291.307 1.461 10 5 CDBEHN CNc1ccc(CNCCN2CCCC2)cc1[N+](=O)[O-] ZINC000071792493 176263563 /nfs/dbraw/zinc/26/35/63/176263563.db2.gz SHYDXWPDEMJSGN-UHFFFAOYSA-N 0 3 278.356 1.822 10 5 CDBEHN COC[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179521636 274044991 /nfs/dbraw/zinc/04/49/91/274044991.db2.gz MZXNKUJCYZEALA-AWEZNQCLSA-N 0 3 280.324 1.567 10 5 CDBEHN CN(C)C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000108952022 276807650 /nfs/dbraw/zinc/80/76/50/276807650.db2.gz XCNBNTZOBBRMGN-ZDUSSCGKSA-N 0 3 265.313 1.362 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN1C ZINC000194722346 280051151 /nfs/dbraw/zinc/05/11/51/280051151.db2.gz YAKLTIPUFFKKOI-SNVBAGLBSA-N 0 3 278.312 1.122 10 5 CDBEHN C[C@H](NCC1(O)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000162592662 292826844 /nfs/dbraw/zinc/82/68/44/292826844.db2.gz YECCEITUBJYCOZ-NSHDSACASA-N 0 3 280.324 1.787 10 5 CDBEHN COCC[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000052810224 521829460 /nfs/dbraw/zinc/82/94/60/521829460.db2.gz QHEKIIXPLDMIBF-SNVBAGLBSA-N 0 3 267.285 1.206 10 5 CDBEHN CC(C)NCc1ccc([N+](=O)[O-])c(O[C@H](C)C(N)=O)c1 ZINC000050517185 519727112 /nfs/dbraw/zinc/72/71/12/519727112.db2.gz CZHBNJVXBBGOMR-SECBINFHSA-N 0 3 281.312 1.345 10 5 CDBEHN CCN(CC)C(=O)COc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516601 520489508 /nfs/dbraw/zinc/48/95/08/520489508.db2.gz KCBZARNQOVYVFN-UHFFFAOYSA-N 0 3 281.312 1.301 10 5 CDBEHN CCCN1C(=O)CCC[C@H](N)[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000070295216 521699176 /nfs/dbraw/zinc/69/91/76/521699176.db2.gz AEDSKLIBVJVVHZ-TVQRCGJNSA-N 0 3 281.312 1.979 10 5 CDBEHN CN[C@](C)(C[C@H](C)Oc1ccc([N+](=O)[O-])c(C)c1)C(N)=O ZINC000068651124 522523253 /nfs/dbraw/zinc/52/32/53/522523253.db2.gz QUIVTHQTGROGDI-IINYFYTJSA-N 0 3 295.339 1.524 10 5 CDBEHN COCCN(C)CCNc1cccc([N+](=O)[O-])c1C ZINC000062724277 523614935 /nfs/dbraw/zinc/61/49/35/523614935.db2.gz JPMIQFAZQHPOEK-UHFFFAOYSA-N 0 3 267.329 1.893 10 5 CDBEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000069132880 525097231 /nfs/dbraw/zinc/09/72/31/525097231.db2.gz ZFWCEFUAEKQQIU-NXEZZACHSA-N 0 3 263.297 1.417 10 5 CDBEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1csc([N+](=O)[O-])c1 ZINC000069132757 525101109 /nfs/dbraw/zinc/10/11/09/525101109.db2.gz FTYRVZFAQHZCMA-OCAPTIKFSA-N 0 3 269.326 1.479 10 5 CDBEHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(C)c1OC ZINC000813106212 1163813962 /nfs/dbraw/zinc/81/39/62/1163813962.db2.gz ARBBIEBAGVYLMY-MRVPVSSYSA-N 0 3 283.280 1.834 10 5 CDBEHN CC(=O)c1cc(C(=O)OCC(C)[N+](=O)[O-])n(C)c1 ZINC000813108166 1163816690 /nfs/dbraw/zinc/81/66/90/1163816690.db2.gz BMZRSFQCENKBJC-ZETCQYMHSA-N 0 3 254.242 1.050 10 5 CDBEHN CC(COC(=O)Cc1cc(F)c(F)cc1F)[N+](=O)[O-] ZINC000813104039 712244231 /nfs/dbraw/zinc/24/42/31/712244231.db2.gz WOFWATSZRHTGRS-ZCFIWIBFSA-N 0 3 277.198 1.855 10 5 CDBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](CO)C2CC2)c1 ZINC000844320059 712415577 /nfs/dbraw/zinc/41/55/77/712415577.db2.gz ZBACTAZCUHNGBQ-LBPRGKRZSA-N 0 3 294.307 1.242 10 5 CDBEHN CC(COC(=O)c1nc(Cl)cs1)[N+](=O)[O-] ZINC000813107905 712497195 /nfs/dbraw/zinc/49/71/95/712497195.db2.gz YTEXKLAZZWRAEI-SCSAIBSYSA-N 0 3 250.663 1.619 10 5 CDBEHN CCN1CCC[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000048482431 712703275 /nfs/dbraw/zinc/70/32/75/712703275.db2.gz HGSDBARJCZYMBN-LLVKDONJSA-N 0 3 292.339 1.391 10 5 CDBEHN C[C@H](O)CNCc1ccc(Br)cc1[N+](=O)[O-] ZINC000164830459 911381728 /nfs/dbraw/zinc/38/17/28/911381728.db2.gz YFMJISUUMQVRTJ-ZETCQYMHSA-N 0 3 289.129 1.828 10 5 CDBEHN O=[N+]([O-])c1ccc2[nH]c(CNC[C@@H](O)C3CC3)nc2c1 ZINC000819267723 930784036 /nfs/dbraw/zinc/78/40/36/930784036.db2.gz WLXFOFHSSUWLGX-GFCCVEGCSA-N 0 3 276.296 1.332 10 5 CDBEHN CC(=O)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001320938309 959468621 /nfs/dbraw/zinc/46/86/21/959468621.db2.gz DGBIWMQARBXUHP-NSCUHMNNSA-N 0 3 263.297 1.377 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000590442708 342546270 /nfs/dbraw/zinc/54/62/70/342546270.db2.gz AGLOGPFRYBZKFW-WCQYABFASA-N 0 3 289.335 1.679 10 5 CDBEHN C[C@H]1[C@H](C)N(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C ZINC000590696052 342583651 /nfs/dbraw/zinc/58/36/51/342583651.db2.gz NQQYZBRUBPQDRC-UWVGGRQHSA-N 0 3 289.339 2.000 10 5 CDBEHN C[C@H](NC[C@@H](O)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC001657984691 1172001403 /nfs/dbraw/zinc/00/14/03/1172001403.db2.gz FYROZOLPQIHNLQ-JOYOIKCWSA-N 0 3 268.313 1.377 10 5 CDBEHN NC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000401719583 342628041 /nfs/dbraw/zinc/62/80/41/342628041.db2.gz MURXHDQFMKYPNL-MRVPVSSYSA-N 0 3 295.192 1.353 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595229887 343009276 /nfs/dbraw/zinc/00/92/76/343009276.db2.gz HENNGMSGJWCTPJ-GHMZBOCLSA-N 0 3 296.302 1.806 10 5 CDBEHN CN1C[C@H]2CCN(Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000595501104 343078341 /nfs/dbraw/zinc/07/83/41/343078341.db2.gz HMEIDQZVNOIOSN-BXUZGUMPSA-N 0 3 279.315 1.870 10 5 CDBEHN O=[N+]([O-])c1ccc(OCCN2CCC3(COC3)C2)cc1 ZINC000595836546 343171822 /nfs/dbraw/zinc/17/18/22/343171822.db2.gz ZONGAPJXPQNPAU-UHFFFAOYSA-N 0 3 278.308 1.696 10 5 CDBEHN CN1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000091482708 342404529 /nfs/dbraw/zinc/40/45/29/342404529.db2.gz ZWMVSQRKGRMRLF-SNVBAGLBSA-N 0 3 292.339 1.447 10 5 CDBEHN C[C@H](NC[C@H]1COCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000599075878 343949304 /nfs/dbraw/zinc/94/93/04/343949304.db2.gz AWFWEHLKVXIGSJ-FZMZJTMJSA-N 0 3 279.340 1.576 10 5 CDBEHN NC(=O)C[C@@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000120567908 362571156 /nfs/dbraw/zinc/57/11/56/362571156.db2.gz JVPGQGWWQMVCFR-LBPRGKRZSA-N 0 3 277.324 1.825 10 5 CDBEHN Cc1cccc(N2CCN3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000405226499 345415488 /nfs/dbraw/zinc/41/54/88/345415488.db2.gz OWEVIHZPFXJBBO-NWDGAFQWSA-N 0 3 277.324 1.158 10 5 CDBEHN C[C@@H](CCNCc1ccccc1[N+](=O)[O-])[S@](C)=O ZINC000129343811 362892368 /nfs/dbraw/zinc/89/23/68/362892368.db2.gz KSNRRLMDHLEFQR-XTZNXHDOSA-N 0 3 270.354 1.842 10 5 CDBEHN C[C@@H](CO)[C@@H](C)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000167105907 362979438 /nfs/dbraw/zinc/97/94/38/362979438.db2.gz XIWLLXAVVPAPCB-DTWKUNHWSA-N 0 3 256.277 1.840 10 5 CDBEHN C[C@H](CCNCc1ccc([N+](=O)[O-])cc1)[S@@](C)=O ZINC000133734408 366042033 /nfs/dbraw/zinc/04/20/33/366042033.db2.gz RJFSNUHHISHNPA-MGNBDDOMSA-N 0 3 270.354 1.842 10 5 CDBEHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)CCN1C ZINC000124269902 187129332 /nfs/dbraw/zinc/12/93/32/187129332.db2.gz ZUFJAFIEBVSZNK-UWVGGRQHSA-N 0 3 281.312 1.743 10 5 CDBEHN COC[C@@H](O)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000153721006 188099076 /nfs/dbraw/zinc/09/90/76/188099076.db2.gz XFRPDJQEUTXHQN-NSHDSACASA-N 0 3 288.731 1.735 10 5 CDBEHN CN(C)C(=O)C1(NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000411912628 363374572 /nfs/dbraw/zinc/37/45/72/363374572.db2.gz MMSRSFPILOVGRN-UHFFFAOYSA-N 0 3 277.324 1.348 10 5 CDBEHN CCN1CCO[C@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000134618441 356361340 /nfs/dbraw/zinc/36/13/40/356361340.db2.gz HPVTUHJHYSWWKH-SWLSCSKDSA-N 0 3 293.367 1.966 10 5 CDBEHN CN(CCOc1ccc([N+](=O)[O-])cc1)CC1(CO)CC1 ZINC000186778939 357688050 /nfs/dbraw/zinc/68/80/50/357688050.db2.gz MQRDBZVPQZJJDG-UHFFFAOYSA-N 0 3 280.324 1.678 10 5 CDBEHN CC(=O)[C@](C)(O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000347795869 359648435 /nfs/dbraw/zinc/64/84/35/359648435.db2.gz XXANLAGJSKYKKV-IINYFYTJSA-N 0 3 280.324 1.894 10 5 CDBEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000164019273 365210713 /nfs/dbraw/zinc/21/07/13/365210713.db2.gz KDYJRKILJDQRGS-JTQLQIEISA-N 0 3 297.359 1.034 10 5 CDBEHN COCCN1CCC[C@@H]1CNc1nccc(C)c1[N+](=O)[O-] ZINC000301246714 369917802 /nfs/dbraw/zinc/91/78/02/369917802.db2.gz AXUPEHDRQRALSL-GFCCVEGCSA-N 0 3 294.355 1.821 10 5 CDBEHN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN2CCC[C@H]2C1 ZINC000193724504 375896348 /nfs/dbraw/zinc/89/63/48/375896348.db2.gz ILHXNAGEBUKYAG-ZDUSSCGKSA-N 0 3 290.323 1.907 10 5 CDBEHN Cc1c(CN2CC[C@@]3(CNC(=O)C3)C2)cccc1[N+](=O)[O-] ZINC000278781629 194152968 /nfs/dbraw/zinc/15/29/68/194152968.db2.gz DHCTZWNPEUXMON-OAHLLOKOSA-N 0 3 289.335 1.615 10 5 CDBEHN Cc1ccc(CN[C@H]2C[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000418120644 392877338 /nfs/dbraw/zinc/87/73/38/392877338.db2.gz WCRFBWCRIMHQKO-BJHJDKERSA-N 0 3 250.298 1.906 10 5 CDBEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286008782 393039732 /nfs/dbraw/zinc/03/97/32/393039732.db2.gz HZARCFASCHABQY-ZJUUUORDSA-N 0 3 293.327 1.017 10 5 CDBEHN COC[C@]1(CO)CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000449693390 393139973 /nfs/dbraw/zinc/13/99/73/393139973.db2.gz DCFHQELGLGYUST-OAHLLOKOSA-N 0 3 294.351 1.734 10 5 CDBEHN Cc1nn(C)c(NCc2ccc3c(c2)CNC3)c1[N+](=O)[O-] ZINC000097830058 147126977 /nfs/dbraw/zinc/12/69/77/147126977.db2.gz SDKVRYLLEMOQCE-UHFFFAOYSA-N 0 3 287.323 1.852 10 5 CDBEHN CO[C@H]1C[C@@H](CN(C)c2nc(C)ccc2[N+](=O)[O-])N(C)C1 ZINC000284465737 196062449 /nfs/dbraw/zinc/06/24/49/196062449.db2.gz FJBGHWPCIBIUBW-RYUDHWBXSA-N 0 3 294.355 1.454 10 5 CDBEHN CC(=O)NCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020185187 171047789 /nfs/dbraw/zinc/04/77/89/171047789.db2.gz VHPDLSCTQREZBE-VIFPVBQESA-N 0 3 251.286 1.382 10 5 CDBEHN C[C@H](NCC1(C)OCCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284864831 196146189 /nfs/dbraw/zinc/14/61/89/196146189.db2.gz ARMRXGLSZVVJBW-JTQLQIEISA-N 0 3 295.339 1.981 10 5 CDBEHN O=[N+]([O-])c1ccc(F)cc1CNC[C@@H]1CCOC1 ZINC000038094231 174107392 /nfs/dbraw/zinc/10/73/92/174107392.db2.gz BQJLTPUJVGMRTG-VIFPVBQESA-N 0 3 254.261 1.860 10 5 CDBEHN O=C1[C@@H](NC2CC2)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000071036986 176026013 /nfs/dbraw/zinc/02/60/13/176026013.db2.gz QIDNKJLYQKHQTQ-NSHDSACASA-N 0 3 279.271 1.591 10 5 CDBEHN CCCN[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2OC)C1=O ZINC000071042997 176028983 /nfs/dbraw/zinc/02/89/83/176028983.db2.gz FZTUFZGZABNLEN-LLVKDONJSA-N 0 3 293.323 1.708 10 5 CDBEHN O=C1CC[C@H](CNCc2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000076760392 177086147 /nfs/dbraw/zinc/08/61/47/177086147.db2.gz JCSDQWVISPZXDX-SECBINFHSA-N 0 3 283.715 1.616 10 5 CDBEHN Cc1cc(N2CCO[C@H](CN(C)C)C2)ccc1[N+](=O)[O-] ZINC000108951853 274709184 /nfs/dbraw/zinc/70/91/84/274709184.db2.gz FASAAWUMZQLTLC-CYBMUJFWSA-N 0 3 279.340 1.670 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1N1CCO[C@@H](CN(C)C)C1 ZINC000108951846 281260473 /nfs/dbraw/zinc/26/04/73/281260473.db2.gz MCDFSXPTIYQEDM-LBPRGKRZSA-N 0 3 279.340 1.670 10 5 CDBEHN CCCNC(=O)CNCCc1ccccc1[N+](=O)[O-] ZINC000062726307 519880171 /nfs/dbraw/zinc/88/01/71/519880171.db2.gz SNZPVIPFGFINIA-UHFFFAOYSA-N 0 3 265.313 1.253 10 5 CDBEHN CN(C)C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(N)c1 ZINC000061656077 521836162 /nfs/dbraw/zinc/83/61/62/521836162.db2.gz PLUZYOYBZPLVOT-NSHDSACASA-N 0 3 292.339 1.343 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(OCC(=O)OC(C)C)c1 ZINC000050516657 522125782 /nfs/dbraw/zinc/12/57/82/522125782.db2.gz XYSYFBWGRNTRPS-UHFFFAOYSA-N 0 3 282.296 1.645 10 5 CDBEHN C[C@@H]1CNC[C@H](C)N1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000069133493 525100796 /nfs/dbraw/zinc/10/07/96/525100796.db2.gz YDUGEMPCLKNSLW-AOOOYVTPSA-N 0 3 278.312 1.809 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@]1(O)CCOC1 ZINC000183619549 525566514 /nfs/dbraw/zinc/56/65/14/525566514.db2.gz VVXTXPBNTDZMMH-CYBMUJFWSA-N 0 3 266.297 1.144 10 5 CDBEHN Cc1c(C(=O)N2[C@H](C)CNC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000069132817 525599923 /nfs/dbraw/zinc/59/99/23/525599923.db2.gz NEBGWDNJBIXJJE-AOOOYVTPSA-N 0 3 277.324 1.726 10 5 CDBEHN C[C@@](N)(CCOc1cc([N+](=O)[O-])ccc1Cl)C(N)=O ZINC000069508341 525748056 /nfs/dbraw/zinc/74/80/56/525748056.db2.gz CYXWJYDFTVTLIG-LLVKDONJSA-N 0 3 287.703 1.220 10 5 CDBEHN CC(COC(=O)COC1CCC(C)CC1)[N+](=O)[O-] ZINC000813114631 617349071 /nfs/dbraw/zinc/34/90/71/617349071.db2.gz UYOVJJKNFAYOGT-YVNMAJEFSA-N 0 3 259.302 1.790 10 5 CDBEHN CC(=O)c1cc(C(=O)OCC(C)[N+](=O)[O-])n(C)c1 ZINC000813108165 1163816451 /nfs/dbraw/zinc/81/64/51/1163816451.db2.gz BMZRSFQCENKBJC-SSDOTTSWSA-N 0 3 254.242 1.050 10 5 CDBEHN C[C@H](CN1CCCCC1)Nc1nn(C)cc1[N+](=O)[O-] ZINC000231667930 1178173120 /nfs/dbraw/zinc/17/31/20/1178173120.db2.gz PWKRYUVVGHKRLG-SNVBAGLBSA-N 0 3 267.333 1.615 10 5 CDBEHN CC(COC(=O)/C=C\c1ccc(Cl)nc1)[N+](=O)[O-] ZINC000813105471 1163814568 /nfs/dbraw/zinc/81/45/68/1163814568.db2.gz ZRQPLIAUYVCXPX-QIUOEGRZSA-N 0 3 270.672 1.957 10 5 CDBEHN CC(COC(=O)C1CCN(CC(F)F)CC1)[N+](=O)[O-] ZINC000813106202 1163814694 /nfs/dbraw/zinc/81/46/94/1163814694.db2.gz ALGYPUXWOODRIB-MRVPVSSYSA-N 0 3 280.271 1.172 10 5 CDBEHN CC(COC(=O)COc1cccc(Cl)c1)[N+](=O)[O-] ZINC000813109245 1163815709 /nfs/dbraw/zinc/81/57/09/1163815709.db2.gz QCGXXHGLQCHADY-QMMMGPOBSA-N 0 3 273.672 1.927 10 5 CDBEHN CC(COC(=O)C12CC(C(F)(F)F)(C1)C2)[N+](=O)[O-] ZINC000813111978 1163815865 /nfs/dbraw/zinc/81/58/65/1163815865.db2.gz MBQIXZJTWZTUOP-KXNKJCORSA-N 0 3 267.203 1.927 10 5 CDBEHN COc1cc(C)c(C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813111740 1163816262 /nfs/dbraw/zinc/81/62/62/1163816262.db2.gz KSLQGZPQSZLVNI-SECBINFHSA-N 0 3 283.280 1.834 10 5 CDBEHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(OC)c1 ZINC000813108650 1163816325 /nfs/dbraw/zinc/81/63/25/1163816325.db2.gz JHLBTPWRDCFORO-MRVPVSSYSA-N 0 3 269.253 1.526 10 5 CDBEHN CC(=O)[C@H](C)CCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813113186 1163816705 /nfs/dbraw/zinc/81/67/05/1163816705.db2.gz OHASSNPIBDUKTK-NXEZZACHSA-N 0 3 259.302 1.980 10 5 CDBEHN CC(COC(=O)c1ccn(C2CCCC2)n1)[N+](=O)[O-] ZINC000813115135 1163817433 /nfs/dbraw/zinc/81/74/33/1163817433.db2.gz LASNFHDTDZJOGP-SECBINFHSA-N 0 3 267.285 1.820 10 5 CDBEHN CC(COC(=O)CO[C@H]1CCCC[C@H]1C)[N+](=O)[O-] ZINC000813114364 1163818570 /nfs/dbraw/zinc/81/85/70/1163818570.db2.gz AGOAMIQTMJKURV-MXWKQRLJSA-N 0 3 259.302 1.790 10 5 CDBEHN O=[N+]([O-])c1ccc(Cl)cc1CN1CCOC2(CNC2)C1 ZINC000853248892 927993673 /nfs/dbraw/zinc/99/36/73/927993673.db2.gz LMEJQYZSHYDYJB-UHFFFAOYSA-N 0 3 297.742 1.422 10 5 CDBEHN Cn1nnnc1CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783651398 937277282 /nfs/dbraw/zinc/27/72/82/937277282.db2.gz FFOPMCDBGSILIM-UHFFFAOYSA-N 0 3 296.718 1.104 10 5 CDBEHN C[C@H](NC[C@@H](O)CC1(O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000859319709 929001989 /nfs/dbraw/zinc/00/19/89/929001989.db2.gz SIIGHYFXDUUCTF-FZMZJTMJSA-N 0 3 294.351 1.911 10 5 CDBEHN COC(=O)CC1(NC[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000844385432 931592337 /nfs/dbraw/zinc/59/23/37/931592337.db2.gz IZFVVOURUGQQIX-LBPRGKRZSA-N 0 3 294.307 1.314 10 5 CDBEHN C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000928446721 933146145 /nfs/dbraw/zinc/14/61/45/933146145.db2.gz YBHTZYDMVCOXPA-QPUJVOFHSA-N 0 3 281.287 1.556 10 5 CDBEHN C[C@H](NCC[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC001341079298 963268142 /nfs/dbraw/zinc/26/81/42/963268142.db2.gz TZMMWEFHSLMVMZ-NRUUGDAUSA-N 0 3 250.298 1.806 10 5 CDBEHN CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000812879186 1163746949 /nfs/dbraw/zinc/74/69/49/1163746949.db2.gz MWLBYJGBTVFJMP-KGLIPLIRSA-N 0 3 280.324 1.739 10 5 CDBEHN CN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C(C)(C)C1 ZINC001597313731 1174266791 /nfs/dbraw/zinc/26/67/91/1174266791.db2.gz NBHPSHHBURUDAU-LBPRGKRZSA-N 0 3 292.339 1.247 10 5 CDBEHN Cc1c(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590043748 342520472 /nfs/dbraw/zinc/52/04/72/342520472.db2.gz FPTPTXAGTKSCCD-RISCZKNCSA-N 0 3 289.335 1.679 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000590046592 342520957 /nfs/dbraw/zinc/52/09/57/342520957.db2.gz IHERLVMHIOPZGU-FZMZJTMJSA-N 0 3 289.335 1.679 10 5 CDBEHN CN[C@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856305 341994732 /nfs/dbraw/zinc/99/47/32/341994732.db2.gz JHUVMTXFZPHUTP-SECBINFHSA-N 0 3 251.286 1.127 10 5 CDBEHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000590445826 342546512 /nfs/dbraw/zinc/54/65/12/342546512.db2.gz SIQFWMLTARGXDA-ZANVPECISA-N 0 3 293.298 1.510 10 5 CDBEHN CC[C@@H]1CN(c2nccc(C)c2[N+](=O)[O-])C[C@H](C)N1 ZINC000599182105 343983687 /nfs/dbraw/zinc/98/36/87/343983687.db2.gz YOZUVCGBRYXPAQ-WDEREUQCSA-N 0 3 264.329 1.875 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](O)[C@H]1C ZINC000590661391 342581451 /nfs/dbraw/zinc/58/14/51/342581451.db2.gz BJRGBRFMRKVMMF-ZWNOBZJWSA-N 0 3 250.298 1.858 10 5 CDBEHN C[C@H]1C(=O)N(CCN(C)C)CN1c1sccc1[N+](=O)[O-] ZINC000591985803 342659457 /nfs/dbraw/zinc/65/94/57/342659457.db2.gz SMAHNLALWRJHFV-VIFPVBQESA-N 0 3 298.368 1.213 10 5 CDBEHN COC(=O)[C@@H]1C[C@H]1[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000594923691 342988315 /nfs/dbraw/zinc/98/83/15/342988315.db2.gz FNACKMWOSZWXCB-ADEWGFFLSA-N 0 3 278.308 1.882 10 5 CDBEHN C[C@@H](NCC[C@@]1(O)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000404203807 349768792 /nfs/dbraw/zinc/76/87/92/349768792.db2.gz OWPAMVZLRYIYSJ-BXUZGUMPSA-N 0 3 280.324 1.787 10 5 CDBEHN COC[C@H](CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)OC ZINC000595481489 343065087 /nfs/dbraw/zinc/06/50/87/343065087.db2.gz OJKRHPHFEJADRD-LBPRGKRZSA-N 0 3 298.343 1.090 10 5 CDBEHN O=[N+]([O-])c1cccc(CN(C[C@H]2CNCCO2)C2CC2)c1 ZINC000595890418 343181875 /nfs/dbraw/zinc/18/18/75/343181875.db2.gz DBMJDGYHETWGFR-OAHLLOKOSA-N 0 3 291.351 1.548 10 5 CDBEHN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)[C@H]1O ZINC000595752281 343152675 /nfs/dbraw/zinc/15/26/75/343152675.db2.gz WFRNJZLMJVIWGJ-JYAVWHMHSA-N 0 3 294.351 1.922 10 5 CDBEHN O=[N+]([O-])c1ccsc1N1CCC(N2CC[C@H](O)C2)CC1 ZINC000596537563 343345630 /nfs/dbraw/zinc/34/56/30/343345630.db2.gz HQEGWTQFZDLKAN-NSHDSACASA-N 0 3 297.380 1.692 10 5 CDBEHN COCCN1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C ZINC000092649501 342415893 /nfs/dbraw/zinc/41/58/93/342415893.db2.gz OPLAPSIAXDDPCV-LBPRGKRZSA-N 0 3 294.355 1.821 10 5 CDBEHN O=[N+]([O-])c1cnc(NC2CNC2)c(Br)c1 ZINC000086482144 345322447 /nfs/dbraw/zinc/32/24/47/345322447.db2.gz XVTONEBGGRMIQJ-UHFFFAOYSA-N 0 3 273.090 1.136 10 5 CDBEHN O=[N+]([O-])c1cnccc1NC1CCN([C@H]2CCOC2)CC1 ZINC000089602916 347599159 /nfs/dbraw/zinc/59/91/59/347599159.db2.gz ZPRANOZJFDEXAE-LBPRGKRZSA-N 0 3 292.339 1.655 10 5 CDBEHN COc1ccc(CNCCc2nc(C)no2)cc1[N+](=O)[O-] ZINC000106469623 186119644 /nfs/dbraw/zinc/11/96/44/186119644.db2.gz RWZWTVYPCSYCAT-UHFFFAOYSA-N 0 3 292.295 1.627 10 5 CDBEHN CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@H]1CCN(C2CC2)C1 ZINC000360897863 357738482 /nfs/dbraw/zinc/73/84/82/357738482.db2.gz WTHNJIJUCUIJQZ-LBPRGKRZSA-N 0 3 293.371 1.793 10 5 CDBEHN COC[C@@](C)(CCO)NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000342409200 359047529 /nfs/dbraw/zinc/04/75/29/359047529.db2.gz AJBRJBLCCNFSSW-CQSZACIVSA-N 0 3 298.339 1.481 10 5 CDBEHN CN(C)CCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000033700517 360105582 /nfs/dbraw/zinc/10/55/82/360105582.db2.gz VIMKBZLLFHCXBU-UHFFFAOYSA-N 0 3 251.246 1.105 10 5 CDBEHN CCN1CC[C@@H](N(C)C(=O)c2c[nH]nc2[N+](=O)[O-])[C@H](C)C1 ZINC000548091093 360089264 /nfs/dbraw/zinc/08/92/64/360089264.db2.gz MXWVKBIZCANGQR-MWLCHTKSSA-N 0 3 295.343 1.120 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170857835 369949725 /nfs/dbraw/zinc/94/97/25/369949725.db2.gz BSDRUALGJZTWCA-SNVBAGLBSA-N 0 3 278.312 1.074 10 5 CDBEHN Cc1ccc([C@@H](C)NC[C@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000091666731 374091311 /nfs/dbraw/zinc/09/13/11/374091311.db2.gz GITQOEHHBUAVSV-OCCSQVGLSA-N 0 3 293.367 1.884 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422938235 374364931 /nfs/dbraw/zinc/36/49/31/374364931.db2.gz HAHBMGBTLURVQG-HUUCEWRRSA-N 0 3 291.351 1.451 10 5 CDBEHN COC[C@](C)(O)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000449383644 374804043 /nfs/dbraw/zinc/80/40/43/374804043.db2.gz IYMRGUGEHPFQKT-CQSZACIVSA-N 0 3 282.340 1.780 10 5 CDBEHN O=[N+]([O-])c1cccc(CNC[C@@H]2CCCCN2CCO)c1 ZINC000449389074 374805973 /nfs/dbraw/zinc/80/59/73/374805973.db2.gz BVUDHXRFKNPHJW-HNNXBMFYSA-N 0 3 293.367 1.531 10 5 CDBEHN Cc1ccc(CNC2(CC(N)=O)CCC2)cc1[N+](=O)[O-] ZINC000354932396 375762807 /nfs/dbraw/zinc/76/28/07/375762807.db2.gz RDQWLNVIEAYZIG-UHFFFAOYSA-N 0 3 277.324 1.791 10 5 CDBEHN CCc1ccc(C(=O)N2CC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000174182231 379392532 /nfs/dbraw/zinc/39/25/32/379392532.db2.gz BXPXMXHTWJDUGN-ZDUSSCGKSA-N 0 3 291.351 1.933 10 5 CDBEHN CC(=O)[C@](C)(O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451101404 251606713 /nfs/dbraw/zinc/60/67/13/251606713.db2.gz COLBNGXEUIKEJX-TVQRCGJNSA-N 0 3 266.297 1.585 10 5 CDBEHN CCN1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000048753456 391375980 /nfs/dbraw/zinc/37/59/80/391375980.db2.gz VDFHBPPGQDDGAQ-GFCCVEGCSA-N 0 3 277.324 1.809 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN1CC[C@H](c2nnc[nH]2)C1 ZINC000425350098 393020991 /nfs/dbraw/zinc/02/09/91/393020991.db2.gz DZVSYEKQXVDUSU-NSHDSACASA-N 0 3 273.296 1.702 10 5 CDBEHN CNC(=O)[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])C(C)C ZINC000362965951 159279567 /nfs/dbraw/zinc/27/95/67/159279567.db2.gz HLNJBVKQYMSRIF-OWNNVSBGSA-N 0 3 291.351 1.968 10 5 CDBEHN CC(=O)CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373276544 160188001 /nfs/dbraw/zinc/18/80/01/160188001.db2.gz VLSHEDCXGOZZCD-UHFFFAOYSA-N 0 3 266.301 1.407 10 5 CDBEHN O=[N+]([O-])c1ccc(N[C@@H]2CN3CCC2CC3)c2nonc21 ZINC000035121005 171990277 /nfs/dbraw/zinc/99/02/77/171990277.db2.gz KJEBILIWQQYYCO-SNVBAGLBSA-N 0 3 289.295 1.637 10 5 CDBEHN CO[C@H]1CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000040632954 174359295 /nfs/dbraw/zinc/35/92/95/174359295.db2.gz GPNGSHVTMJDVRT-LDYMZIIASA-N 0 3 299.714 1.564 10 5 CDBEHN CN[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300209 175000970 /nfs/dbraw/zinc/00/09/70/175000970.db2.gz NUNRKESZPMSGRI-PWSUYJOCSA-N 0 3 284.337 1.290 10 5 CDBEHN COC(=O)[C@@H](C)Oc1cc([N+](=O)[O-])c(CN)cc1OC ZINC000043624973 175081342 /nfs/dbraw/zinc/08/13/42/175081342.db2.gz XVKHBFFDAQUAIH-SSDOTTSWSA-N 0 3 284.268 1.002 10 5 CDBEHN CCN[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000071031141 176022549 /nfs/dbraw/zinc/02/25/49/176022549.db2.gz BOZBHSUFHGQIKQ-CYBMUJFWSA-N 0 3 277.324 1.348 10 5 CDBEHN CCN[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C)C1=O ZINC000071034776 176024945 /nfs/dbraw/zinc/02/49/45/176024945.db2.gz DSTHXCOAQVZPKL-NSHDSACASA-N 0 3 263.297 1.618 10 5 CDBEHN O=[N+]([O-])c1cccc2ncnc(N3C[C@H]4CCC[C@@H](C3)N4)c21 ZINC000420235007 275039746 /nfs/dbraw/zinc/03/97/46/275039746.db2.gz IDEJULXRBUKNMH-PHIMTYICSA-N 0 3 299.334 1.869 10 5 CDBEHN C[C@@H](CCNCc1cccc([N+](=O)[O-])c1)[S@@](C)=O ZINC000129439334 279601593 /nfs/dbraw/zinc/60/15/93/279601593.db2.gz WQOXNQKVANEWEV-YPMLDQLKSA-N 0 3 270.354 1.842 10 5 CDBEHN O=[N+]([O-])c1ccc(CN2CCNC[C@@H]2C(F)F)c(F)c1 ZINC000568511056 294049605 /nfs/dbraw/zinc/04/96/05/294049605.db2.gz KRHVHCRWTZVCAG-LLVKDONJSA-N 0 3 289.257 1.773 10 5 CDBEHN CN(C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000576680271 317185651 /nfs/dbraw/zinc/18/56/51/317185651.db2.gz DIZTUEZZRREWNO-UHFFFAOYSA-N 0 3 266.301 1.060 10 5 CDBEHN CC(C)CN1CCN(c2ccc([N+](=O)[O-])cc2N)CC1 ZINC000055085642 519729111 /nfs/dbraw/zinc/72/91/11/519729111.db2.gz ZAWJNEYXYWPRJR-UHFFFAOYSA-N 0 3 278.356 1.955 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(OCCC(=O)OC)c1 ZINC000069317431 520001346 /nfs/dbraw/zinc/00/13/46/520001346.db2.gz ZSWYKEPMBJKAMI-UHFFFAOYSA-N 0 3 282.296 1.646 10 5 CDBEHN CCOC[C@H](O)COc1cc(CNC)ccc1[N+](=O)[O-] ZINC000069275843 520164744 /nfs/dbraw/zinc/16/47/44/520164744.db2.gz PLTFNVXKPAVGAK-NSHDSACASA-N 0 3 284.312 1.090 10 5 CDBEHN CN1CCC(Nc2ncnc(Cl)c2[N+](=O)[O-])CC1 ZINC000050454988 523778339 /nfs/dbraw/zinc/77/83/39/523778339.db2.gz NXQNMAHTCCYDOB-UHFFFAOYSA-N 0 3 271.708 1.544 10 5 CDBEHN CN(C(=O)c1cc(N)ccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000050698444 523922306 /nfs/dbraw/zinc/92/23/06/523922306.db2.gz PJDZBHXOISEJLA-UHFFFAOYSA-N 0 3 292.339 1.343 10 5 CDBEHN COCCNCc1ccc(OCC(C)(C)O)c([N+](=O)[O-])c1 ZINC000062730728 523953130 /nfs/dbraw/zinc/95/31/30/523953130.db2.gz LFOUAGLFDFHWPY-UHFFFAOYSA-N 0 3 298.339 1.481 10 5 CDBEHN C[C@@H]1CC(O)C[C@@H](C)N1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759485512 576393879 /nfs/dbraw/zinc/39/38/79/576393879.db2.gz AMQSSTCTWLMDTK-HFAKWTLXSA-N 0 3 294.351 1.862 10 5 CDBEHN Cc1nn(C)c(C)c1[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813115139 617349204 /nfs/dbraw/zinc/34/92/04/617349204.db2.gz LCMQVVLUAVFINA-SFYZADRCSA-N 0 3 269.301 1.349 10 5 CDBEHN CN(C)[C@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601035522 342460384 /nfs/dbraw/zinc/46/03/84/342460384.db2.gz JCFBZKQQYNICAO-VIFPVBQESA-N 0 3 281.287 1.510 10 5 CDBEHN CN1C[C@@H]2CCN(Cc3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590010984 342519505 /nfs/dbraw/zinc/51/95/05/342519505.db2.gz DKDUUCLLYKSXHJ-WDEREUQCSA-N 0 3 267.354 1.792 10 5 CDBEHN COC[C@H](O)CNCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000096687117 185109667 /nfs/dbraw/zinc/10/96/67/185109667.db2.gz QYVFNECPPDLEHG-SECBINFHSA-N 0 3 274.704 1.345 10 5 CDBEHN CO[C@@](C)(CO)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000594510810 342912700 /nfs/dbraw/zinc/91/27/00/342912700.db2.gz LEZUTUNNIYSWBB-ZWNOBZJWSA-N 0 3 268.313 1.643 10 5 CDBEHN Cc1noc(CN2CC[C@@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000595501108 343078056 /nfs/dbraw/zinc/07/80/56/343078056.db2.gz HNZBWEFVYHHYQQ-NXEZZACHSA-N 0 3 266.301 1.027 10 5 CDBEHN O=[N+]([O-])c1cccc(OCCN[C@@H]2C[C@H](O)C23CCC3)c1 ZINC000595776631 343149168 /nfs/dbraw/zinc/14/91/68/343149168.db2.gz BLMQYLKYSNUEPB-KGLIPLIRSA-N 0 3 292.335 1.867 10 5 CDBEHN COc1cc(CN[C@@H]2C[C@@H](O)C23CCC3)ccc1[N+](=O)[O-] ZINC000595779390 343149767 /nfs/dbraw/zinc/14/97/67/343149767.db2.gz DOQUWUUCGFXKGY-ZIAGYGMSSA-N 0 3 292.335 1.997 10 5 CDBEHN O=[N+]([O-])c1ccsc1N1CCC(N2CC[C@@H](O)C2)CC1 ZINC000596537562 343345593 /nfs/dbraw/zinc/34/55/93/343345593.db2.gz HQEGWTQFZDLKAN-LLVKDONJSA-N 0 3 297.380 1.692 10 5 CDBEHN COC(=O)[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2C)C1 ZINC000597221381 343484937 /nfs/dbraw/zinc/48/49/37/343484937.db2.gz NZKJLEJAWURILN-TXEJJXNPSA-N 0 3 278.308 1.944 10 5 CDBEHN CCN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000597946371 343676325 /nfs/dbraw/zinc/67/63/25/343676325.db2.gz PMYUXCKVHVHRQQ-ZDUSSCGKSA-N 0 3 291.351 1.690 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H](O)[C@H]1CCCO1 ZINC000598991134 343935486 /nfs/dbraw/zinc/93/54/86/343935486.db2.gz VOHUXRGWABNEGH-ZIAGYGMSSA-N 0 3 280.324 1.533 10 5 CDBEHN NC[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])C(F)(F)F ZINC000602520632 344452640 /nfs/dbraw/zinc/45/26/40/344452640.db2.gz JSUBJMJVEQEBKO-ZETCQYMHSA-N 0 3 295.192 1.353 10 5 CDBEHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C)O[C@@H](C)C1 ZINC000602902988 344654974 /nfs/dbraw/zinc/65/49/74/344654974.db2.gz YLDMSIHSXWLKFA-MNOVXSKESA-N 0 3 282.344 1.599 10 5 CDBEHN C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000292869528 362506566 /nfs/dbraw/zinc/50/65/66/362506566.db2.gz AXJNNKCYWZOVEC-MDZLAQPJSA-N 0 3 280.324 1.675 10 5 CDBEHN COCCN1CCC[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000344423385 362767813 /nfs/dbraw/zinc/76/78/13/362767813.db2.gz RNLRDAWKNJUAIQ-LBPRGKRZSA-N 0 3 280.328 1.513 10 5 CDBEHN Cc1ccc(CNCC[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000404210835 346727545 /nfs/dbraw/zinc/72/75/45/346727545.db2.gz UZZYNZQDILTSNJ-CQSZACIVSA-N 0 3 280.324 1.534 10 5 CDBEHN CCCOc1cc(OC2CNC2)ccc1[N+](=O)[O-] ZINC000104240062 185940881 /nfs/dbraw/zinc/94/08/81/185940881.db2.gz MKRADIJSUNOUMQ-UHFFFAOYSA-N 0 3 252.270 1.734 10 5 CDBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H](CN(C)C)C1 ZINC000105925568 186090234 /nfs/dbraw/zinc/09/02/34/186090234.db2.gz RIISTGRBMVWVRG-SWLSCSKDSA-N 0 3 293.367 1.918 10 5 CDBEHN C[C@H](NC[C@H](C)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000123481734 187094444 /nfs/dbraw/zinc/09/44/44/187094444.db2.gz XPCRJZFIWXKQBT-STQMWFEESA-N 0 3 293.367 1.966 10 5 CDBEHN CC[C@H]1CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000292411273 198278405 /nfs/dbraw/zinc/27/84/05/198278405.db2.gz MBKLXZNAXPULFX-NWDGAFQWSA-N 0 3 280.324 1.819 10 5 CDBEHN COC[C@@](C)(CCO)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000283325026 357551549 /nfs/dbraw/zinc/55/15/49/357551549.db2.gz ZWVUHBLZBLPIRE-CYBMUJFWSA-N 0 3 286.303 1.611 10 5 CDBEHN NCc1ccc(I)cc1[N+](=O)[O-] ZINC000150108731 358875385 /nfs/dbraw/zinc/87/53/85/358875385.db2.gz UHSZMNLHHZMSJE-UHFFFAOYSA-N 0 3 278.049 1.658 10 5 CDBEHN CN1CCNC[C@H]1c1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000263232505 358980750 /nfs/dbraw/zinc/98/07/50/358980750.db2.gz NOOZGIGEMKWEPP-NSHDSACASA-N 0 3 289.295 1.221 10 5 CDBEHN CCNC(=O)CCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000135742507 359987635 /nfs/dbraw/zinc/98/76/35/359987635.db2.gz QMMQYOBTHRBNLA-JTQLQIEISA-N 0 3 265.313 1.772 10 5 CDBEHN Cc1ccc(CN2C[C@@H](C(N)=O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000245549920 360706270 /nfs/dbraw/zinc/70/62/70/360706270.db2.gz ZRBOZOZPGMOQOP-YPMHNXCESA-N 0 3 291.351 1.989 10 5 CDBEHN CC(C)(C)[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000330834377 203293574 /nfs/dbraw/zinc/29/35/74/203293574.db2.gz HVSDSJMSQZWMLL-CHWSQXEVSA-N 0 3 296.371 1.520 10 5 CDBEHN CN(CCCCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000276425896 193326485 /nfs/dbraw/zinc/32/64/85/193326485.db2.gz RISNSWSXLYWOBJ-LBPRGKRZSA-N 0 3 298.339 1.039 10 5 CDBEHN CC[C@@H](CO)N1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000266241901 371722968 /nfs/dbraw/zinc/72/29/68/371722968.db2.gz XQVOQKHXWJOLQH-ZDUSSCGKSA-N 0 3 293.367 1.796 10 5 CDBEHN C[C@H]1C[C@@H](N(C)c2ncccc2[N+](=O)[O-])CCN1C ZINC000266192449 373977689 /nfs/dbraw/zinc/97/76/89/373977689.db2.gz BTWDQHRNJOLUIJ-QWRGUYRKSA-N 0 3 264.329 1.909 10 5 CDBEHN Cc1ccc([C@@H](C)NC[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000091666729 374091087 /nfs/dbraw/zinc/09/10/87/374091087.db2.gz GITQOEHHBUAVSV-TZMCWYRMSA-N 0 3 293.367 1.884 10 5 CDBEHN CC(C)N1C(=O)CC[C@@H](N)[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000070986591 184574358 /nfs/dbraw/zinc/57/43/58/184574358.db2.gz FXMNLIVSXBVYPF-PELKAZGASA-N 0 3 267.285 1.587 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1N1CCO[C@H](CN(C)C)C1 ZINC000108951844 390625095 /nfs/dbraw/zinc/62/50/95/390625095.db2.gz MCDFSXPTIYQEDM-GFCCVEGCSA-N 0 3 279.340 1.670 10 5 CDBEHN N[C@@H]1CCCn2c(=O)c3ccc([N+](=O)[O-])cc3nc21 ZINC000072266465 390634009 /nfs/dbraw/zinc/63/40/09/390634009.db2.gz DKOGAINWUCPMSU-SECBINFHSA-N 0 3 260.253 1.098 10 5 CDBEHN CCN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532139229 393067481 /nfs/dbraw/zinc/06/74/81/393067481.db2.gz UOPNTISAEXSENQ-LLVKDONJSA-N 0 3 292.339 1.594 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCN(C)C1CC1 ZINC000186786185 140069050 /nfs/dbraw/zinc/06/90/50/140069050.db2.gz KIAVGUYYCYJARR-UHFFFAOYSA-N 0 3 292.339 1.464 10 5 CDBEHN CN(c1c([N+](=O)[O-])ncn1C)[C@@H]1CCN(C2CC2)C1 ZINC000354074405 156255040 /nfs/dbraw/zinc/25/50/40/156255040.db2.gz GBWSLWZAOWLTCI-SNVBAGLBSA-N 0 3 265.317 1.001 10 5 CDBEHN CN1CC[C@H]2OCCN(Cc3csc([N+](=O)[O-])c3)[C@H]2C1 ZINC000284643669 196102205 /nfs/dbraw/zinc/10/22/05/196102205.db2.gz OESMFECOWFICQQ-NWDGAFQWSA-N 0 3 297.380 1.561 10 5 CDBEHN CO[C@H]1C[C@@H](N(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000285359497 196260159 /nfs/dbraw/zinc/26/01/59/196260159.db2.gz LTTUEOKCKQFIEZ-HZSPNIEDSA-N 0 3 280.324 1.737 10 5 CDBEHN O=C(CNC1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000037386743 173170072 /nfs/dbraw/zinc/17/00/72/173170072.db2.gz WWJSZLFWCZKOEJ-UHFFFAOYSA-N 0 3 269.688 1.939 10 5 CDBEHN Cn1ccnc1CCNCc1ccc([N+](=O)[O-])o1 ZINC000040639145 174363753 /nfs/dbraw/zinc/36/37/53/174363753.db2.gz UJFHACCRKUIICG-UHFFFAOYSA-N 0 3 250.258 1.254 10 5 CDBEHN CN1CCC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000040673175 174370957 /nfs/dbraw/zinc/37/09/57/174370957.db2.gz CVBOAUDFODQXTN-JTQLQIEISA-N 0 3 255.343 1.840 10 5 CDBEHN Cc1cc(NC(=O)[C@@H](C)N2CCNCC2)ccc1[N+](=O)[O-] ZINC000043570300 175067939 /nfs/dbraw/zinc/06/79/39/175067939.db2.gz LEQOCTFHGXSNGU-LLVKDONJSA-N 0 3 292.339 1.135 10 5 CDBEHN CCNCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000044286663 175159077 /nfs/dbraw/zinc/15/90/77/175159077.db2.gz TZSRYFDWFPVQOH-UHFFFAOYSA-N 0 3 253.258 1.151 10 5 CDBEHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000069508254 175835416 /nfs/dbraw/zinc/83/54/16/175835416.db2.gz PQBMAYFXASRMFB-CMPLNLGQSA-N 0 3 277.324 1.681 10 5 CDBEHN CN[C@H]1CCN(c2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000071036913 176026184 /nfs/dbraw/zinc/02/61/84/176026184.db2.gz GHNHGJRZTMKEHR-VIFPVBQESA-N 0 3 269.688 1.573 10 5 CDBEHN O=c1ccn(Cc2ccc3c(c2)CNCC3)cc1[N+](=O)[O-] ZINC000574815288 295058702 /nfs/dbraw/zinc/05/87/02/295058702.db2.gz UVSJBMJOYHPRJB-UHFFFAOYSA-N 0 3 285.303 1.451 10 5 CDBEHN CC(C)N[C@@H](CCOc1cc(F)ccc1[N+](=O)[O-])C(N)=O ZINC000062540200 519734864 /nfs/dbraw/zinc/73/48/64/519734864.db2.gz PAAXIXZAXFUNRI-JTQLQIEISA-N 0 3 299.302 1.355 10 5 CDBEHN CCNCc1cnn(Cc2cccc([N+](=O)[O-])c2)c1 ZINC000054719302 520018382 /nfs/dbraw/zinc/01/83/82/520018382.db2.gz ALZNTUXZHBGYNJ-UHFFFAOYSA-N 0 3 260.297 1.949 10 5 CDBEHN CCNCc1nccn1Cc1ccccc1[N+](=O)[O-] ZINC000051004935 520023003 /nfs/dbraw/zinc/02/30/03/520023003.db2.gz CLRZGTHRYRIFEI-UHFFFAOYSA-N 0 3 260.297 1.949 10 5 CDBEHN CCOc1cc(N2CCN[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000111045310 520751049 /nfs/dbraw/zinc/75/10/49/520751049.db2.gz MAMANBDAOFETBT-JTQLQIEISA-N 0 3 265.313 1.792 10 5 CDBEHN CCN1CCC[C@@H]1CNc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050454909 521641323 /nfs/dbraw/zinc/64/13/23/521641323.db2.gz WFYIFOJIKPEUCF-MRVPVSSYSA-N 0 3 285.735 1.934 10 5 CDBEHN CN[C@](C)(C[C@H](C)Oc1ccc(F)cc1[N+](=O)[O-])C(N)=O ZINC000068658376 522523788 /nfs/dbraw/zinc/52/37/88/522523788.db2.gz VMSWCMUFOGPCTJ-ISVAXAHUSA-N 0 3 299.302 1.355 10 5 CDBEHN Cn1cc(COc2cc(CN)ccc2[N+](=O)[O-])cn1 ZINC000050516212 527227789 /nfs/dbraw/zinc/22/77/89/527227789.db2.gz KPOIALUZPSCZOI-UHFFFAOYSA-N 0 3 262.269 1.366 10 5 CDBEHN NCc1cc([N+](=O)[O-])ccc1OC[C@@H](O)C(F)(F)F ZINC000068876678 527250969 /nfs/dbraw/zinc/25/09/69/527250969.db2.gz XYAPSRPPOSEEFU-SECBINFHSA-N 0 3 280.202 1.356 10 5 CDBEHN CC(COC(=O)[C@@H]1CCC(=O)c2ccccc21)[N+](=O)[O-] ZINC000813105605 617343271 /nfs/dbraw/zinc/34/32/71/617343271.db2.gz PYMBAKWRXZFVTE-JOYOIKCWSA-N 0 3 277.276 1.955 10 5 CDBEHN CC(COC(=O)c1ccc(Cn2cccn2)o1)[N+](=O)[O-] ZINC000813114497 617349097 /nfs/dbraw/zinc/34/90/97/617349097.db2.gz RROBFNDPJNSQNN-VIFPVBQESA-N 0 3 279.252 1.346 10 5 CDBEHN CN1CC[C@H](NCC[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000930519328 617423072 /nfs/dbraw/zinc/42/30/72/617423072.db2.gz RVWSMNKNYIXPSQ-QWHCGFSZSA-N 0 3 283.759 1.952 10 5 CDBEHN COc1cccc(C(=O)N[C@H]2CCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000928441369 619086187 /nfs/dbraw/zinc/08/61/87/619086187.db2.gz NZMJIKVBACSYAU-ONGXEEELSA-N 0 3 293.323 1.426 10 5 CDBEHN Cc1cc(F)cc(C(=O)N[C@H]2CCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000928443748 619089810 /nfs/dbraw/zinc/08/98/10/619089810.db2.gz VLVPPBOHYYYOGA-SKDRFNHKSA-N 0 3 295.314 1.865 10 5 CDBEHN C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CN2CCC1CC2 ZINC000912380442 629952560 /nfs/dbraw/zinc/95/25/60/629952560.db2.gz SGIXREUUYUDRLC-CYBMUJFWSA-N 0 3 278.312 1.137 10 5 CDBEHN C/C(=C/c1ccccn1)C(=O)OCC(C)[N+](=O)[O-] ZINC000847713832 679464243 /nfs/dbraw/zinc/46/42/43/679464243.db2.gz CXWCUWPOJMFZPL-RNKPRXRFSA-N 0 3 250.254 1.693 10 5 CDBEHN CC(COC(=O)c1cccc2c1OCO2)[N+](=O)[O-] ZINC000813105387 679528652 /nfs/dbraw/zinc/52/86/52/679528652.db2.gz YNKLJXBFNHEVEF-ZETCQYMHSA-N 0 3 253.210 1.237 10 5 CDBEHN CC(COC(=O)[C@@H](C)Sc1ccccn1)[N+](=O)[O-] ZINC000813115630 678108234 /nfs/dbraw/zinc/10/82/34/678108234.db2.gz WTCMXLOQTPGLQB-DTWKUNHWSA-N 0 3 270.310 1.771 10 5 CDBEHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])nc1Cl ZINC000813103679 678296758 /nfs/dbraw/zinc/29/67/58/678296758.db2.gz DYRDBVLGEXTEIA-ZCFIWIBFSA-N 0 3 274.660 1.566 10 5 CDBEHN C[C@]12COC[C@@H]1CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852533808 678709523 /nfs/dbraw/zinc/70/95/23/678709523.db2.gz DMSRPIRWLNGREJ-QEJZJMRPSA-N 0 3 292.335 1.597 10 5 CDBEHN CC(COC(=O)[C@H](F)Cc1ccccc1)[N+](=O)[O-] ZINC000813112182 678741560 /nfs/dbraw/zinc/74/15/60/678741560.db2.gz DCWJMUHEDDLZNK-GXSJLCMTSA-N 0 3 255.245 1.776 10 5 CDBEHN CC(COC(=O)c1cccnc1OCC(F)F)[N+](=O)[O-] ZINC000813101959 678780635 /nfs/dbraw/zinc/78/06/35/678780635.db2.gz LYVSKCSGHXOUPJ-ZETCQYMHSA-N 0 3 290.222 1.548 10 5 CDBEHN CC(COC(=O)CCC(=O)c1cccc(F)c1)[N+](=O)[O-] ZINC000813112708 678855000 /nfs/dbraw/zinc/85/50/00/678855000.db2.gz UAJWVXRJFMYHNP-SECBINFHSA-N 0 3 283.255 1.997 10 5 CDBEHN Cc1cc(C(=O)N[C@H]2CCN(C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000928444775 678883219 /nfs/dbraw/zinc/88/32/19/678883219.db2.gz MIXFBEGJXUMALW-GWCFXTLKSA-N 0 3 277.324 1.726 10 5 CDBEHN C/C(=C/c1cccnc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000847713738 679003919 /nfs/dbraw/zinc/00/39/19/679003919.db2.gz AGCFEZDLTSPXLV-ABRRARGCSA-N 0 3 250.254 1.693 10 5 CDBEHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])sc2nccn12 ZINC000813102628 679018653 /nfs/dbraw/zinc/01/86/53/679018653.db2.gz HSONROOUSLPCFX-ZCFIWIBFSA-N 0 3 269.282 1.526 10 5 CDBEHN COc1cc(CCC(=O)OCC(C)[N+](=O)[O-])cc(OC)c1 ZINC000813112511 679175666 /nfs/dbraw/zinc/17/56/66/679175666.db2.gz RKCMOBVEBWTEDS-SNVBAGLBSA-N 0 3 297.307 1.845 10 5 CDBEHN COC1(OC)CC[C@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000925155528 679412655 /nfs/dbraw/zinc/41/26/55/679412655.db2.gz WCTDHZVJHXPXQM-CYBMUJFWSA-N 0 3 280.324 1.878 10 5 CDBEHN O=[N+]([O-])c1ccc(CNCCOCCCO)cc1 ZINC000353031178 1167324769 /nfs/dbraw/zinc/32/47/69/1167324769.db2.gz BREWKIFOBJVCOX-UHFFFAOYSA-N 0 3 254.286 1.083 10 5 CDBEHN O=[N+]([O-])c1cc2c(cc1CNCC1CSC1)OCCO2 ZINC000829047744 926224641 /nfs/dbraw/zinc/22/46/41/926224641.db2.gz ZZTUJHIPWNLWTB-UHFFFAOYSA-N 0 3 296.348 1.819 10 5 CDBEHN O=[N+]([O-])c1ccc(N2CC(N[C@@H]3CCOC3)C2)c(Cl)c1 ZINC001458667603 969333715 /nfs/dbraw/zinc/33/37/15/969333715.db2.gz KIRDBQHALCSNML-SECBINFHSA-N 0 3 297.742 1.815 10 5 CDBEHN CN1CC[C@@H]2CN(c3ccncc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601183968 342489167 /nfs/dbraw/zinc/48/91/67/342489167.db2.gz DXTMIUIZFZRHKI-MNOVXSKESA-N 0 3 262.313 1.378 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1C[C@H](F)CN1 ZINC000591281866 342624239 /nfs/dbraw/zinc/62/42/39/342624239.db2.gz PZCIFDSYHGGDJP-RYUDHWBXSA-N 0 3 267.304 1.693 10 5 CDBEHN C[C@@H](NC(=O)COC1(C)CNC1)c1cccc([N+](=O)[O-])c1 ZINC000098060901 342226821 /nfs/dbraw/zinc/22/68/21/342226821.db2.gz SPQDYTDHIRCEFD-SNVBAGLBSA-N 0 3 293.323 1.151 10 5 CDBEHN CO[C@@](C)(CO)CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000594509041 342915049 /nfs/dbraw/zinc/91/50/49/342915049.db2.gz HIDJMBAGWNBLNP-HZRUHFOJSA-N 0 3 280.324 1.595 10 5 CDBEHN Cc1cc(C(=O)N[C@@H](CN)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000401716702 349723139 /nfs/dbraw/zinc/72/31/39/349723139.db2.gz HKOHCZPCNBNIQA-VIFPVBQESA-N 0 3 291.229 1.523 10 5 CDBEHN COc1ccc(C(=O)N2CC[C@@H](F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000595261351 343014529 /nfs/dbraw/zinc/01/45/29/343014529.db2.gz XMNITYNRKYGPJO-NXEZZACHSA-N 0 3 297.286 1.115 10 5 CDBEHN O=C(NCc1ccccc1[N+](=O)[O-])C1(NC2CC2)CCC1 ZINC000595924990 343193401 /nfs/dbraw/zinc/19/34/01/343193401.db2.gz LYGNKWMXYARURM-UHFFFAOYSA-N 0 3 289.335 1.886 10 5 CDBEHN CCc1n[nH]c(C(=O)N(CC)[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000597945582 343675509 /nfs/dbraw/zinc/67/55/09/343675509.db2.gz ITHNHLSFTQPHMU-VIFPVBQESA-N 0 3 295.343 1.047 10 5 CDBEHN CCc1[nH]nc(C(=O)N(CC)[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000597945582 343675510 /nfs/dbraw/zinc/67/55/10/343675510.db2.gz ITHNHLSFTQPHMU-VIFPVBQESA-N 0 3 295.343 1.047 10 5 CDBEHN O=[N+]([O-])c1ccc(CNCC2COC2)c(Cl)c1 ZINC000599007198 343938444 /nfs/dbraw/zinc/93/84/44/343938444.db2.gz BZSCHDPGQKMVFU-UHFFFAOYSA-N 0 3 256.689 1.984 10 5 CDBEHN C[C@H](N[C@H]1CCOC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000599080959 343957049 /nfs/dbraw/zinc/95/70/49/343957049.db2.gz MBKJQXYPZBLTCX-TVYUQYBPSA-N 0 3 266.297 1.395 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599681933 344118409 /nfs/dbraw/zinc/11/84/09/344118409.db2.gz FBXBNPNSJBZGCM-PSOPSSQASA-N 0 3 292.335 1.949 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000601594640 344200588 /nfs/dbraw/zinc/20/05/88/344200588.db2.gz NCVJNKFCCQVBNL-SKDRFNHKSA-N 0 3 293.298 1.510 10 5 CDBEHN C[C@@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])cn2)CCN1C ZINC000273580220 192214877 /nfs/dbraw/zinc/21/48/77/192214877.db2.gz FOOJALLGLMNGTQ-NXEZZACHSA-N 0 3 265.317 1.304 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[C@H](O)C1 ZINC000037163603 363531178 /nfs/dbraw/zinc/53/11/78/363531178.db2.gz IAQOXCLKYSXNGR-NEPJUHHUSA-N 0 3 250.298 1.988 10 5 CDBEHN CCN1CCO[C@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000135796193 360055747 /nfs/dbraw/zinc/05/57/47/360055747.db2.gz MXRQCWQNFGYBRY-SWLSCSKDSA-N 0 3 293.367 1.966 10 5 CDBEHN Cc1c([C@H](C)NC[C@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC000180488320 189258109 /nfs/dbraw/zinc/25/81/09/189258109.db2.gz MBZBJQTZPILAKA-STQMWFEESA-N 0 3 293.367 1.884 10 5 CDBEHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N1CCCC1 ZINC000042507489 364594272 /nfs/dbraw/zinc/59/42/72/364594272.db2.gz GGQSDSBWQOOUHE-SECBINFHSA-N 0 3 267.285 1.402 10 5 CDBEHN COc1ccc(CNC2CC(OC)C2)cc1[N+](=O)[O-] ZINC000230689417 365023935 /nfs/dbraw/zinc/02/39/35/365023935.db2.gz VPPYLRQLAWPDSJ-UHFFFAOYSA-N 0 3 266.297 1.870 10 5 CDBEHN Cc1sc(C(=O)NCC2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000416306152 241935500 /nfs/dbraw/zinc/93/55/00/241935500.db2.gz YYDBHTKCLGNARO-UHFFFAOYSA-N 0 3 283.353 1.789 10 5 CDBEHN C[C@@H](N[C@@H](C)Cn1cncn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284001023 296148163 /nfs/dbraw/zinc/14/81/63/296148163.db2.gz HTKIZKZXQFIFCN-VHSXEESVSA-N 0 3 290.327 1.508 10 5 CDBEHN Cc1ccc(C(=O)N2CC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000170861365 369951826 /nfs/dbraw/zinc/95/18/26/369951826.db2.gz GCNIYBHUYMNKJF-GFCCVEGCSA-N 0 3 277.324 1.679 10 5 CDBEHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CCC[C@H]1O ZINC000089161699 370224181 /nfs/dbraw/zinc/22/41/81/370224181.db2.gz IROKUQWFNMAIBQ-WCQYABFASA-N 0 3 250.298 1.845 10 5 CDBEHN COc1ccc(CNC2(CC(N)=O)CCC2)cc1[N+](=O)[O-] ZINC000344635686 371324413 /nfs/dbraw/zinc/32/44/13/371324413.db2.gz SKXDOVQCTWSPID-UHFFFAOYSA-N 0 3 293.323 1.491 10 5 CDBEHN COc1cccc([C@@H]2SC[C@H](O)C2[N+](=O)[O-])c1 ZINC000584654065 374322711 /nfs/dbraw/zinc/32/27/11/374322711.db2.gz NNDFCLNBGWSWLF-AXFHLTTASA-N 0 3 255.295 1.489 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422938234 374364372 /nfs/dbraw/zinc/36/43/72/374364372.db2.gz HAHBMGBTLURVQG-GJZGRUSLSA-N 0 3 291.351 1.451 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2C[C@H]3CCCC[C@H]32)n1 ZINC000377774858 374618785 /nfs/dbraw/zinc/61/87/85/374618785.db2.gz YTOBCBLWCYAEMA-GHMZBOCLSA-N 0 3 250.302 1.666 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2C[C@H]3CCCC[C@H]32)c1 ZINC000377780585 374619544 /nfs/dbraw/zinc/61/95/44/374619544.db2.gz QTLRTNRVKFVJLO-ZYHUDNBSSA-N 0 3 250.302 1.666 10 5 CDBEHN COC[C@](C)(O)CCNCc1ccccc1[N+](=O)[O-] ZINC000449385923 374801709 /nfs/dbraw/zinc/80/17/09/374801709.db2.gz RVHRKLJOEHNKFT-CYBMUJFWSA-N 0 3 268.313 1.472 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@@]1(CCO)CCOC1 ZINC000278531887 194030004 /nfs/dbraw/zinc/03/00/04/194030004.db2.gz VHJVXDFRMDTWLY-AWEZNQCLSA-N 0 3 280.324 1.534 10 5 CDBEHN CCN[C@H](C)[C@@H](C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942671 177904888 /nfs/dbraw/zinc/90/48/88/177904888.db2.gz CPDZQIQHWCOSIN-NXEZZACHSA-N 0 3 286.353 1.755 10 5 CDBEHN CCN(CCOCCO)Cc1ccc([N+](=O)[O-])cc1C ZINC000281924315 393162989 /nfs/dbraw/zinc/16/29/89/393162989.db2.gz AJYJRGNUSJNXIC-UHFFFAOYSA-N 0 3 282.340 1.734 10 5 CDBEHN Cc1cc(N2CCO[C@H]3CCN(C)C[C@H]32)ncc1[N+](=O)[O-] ZINC000284591242 393192967 /nfs/dbraw/zinc/19/29/67/393192967.db2.gz QGMJSGFLLSCBDW-OLZOCXBDSA-N 0 3 292.339 1.208 10 5 CDBEHN CC1(C)CCCN[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000232939106 140225147 /nfs/dbraw/zinc/22/51/47/140225147.db2.gz MWPKAIOZLCQISC-ZDUSSCGKSA-N 0 3 291.351 1.989 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)CC(N)=O ZINC000350048497 154313362 /nfs/dbraw/zinc/31/33/62/154313362.db2.gz MSKPCFBJSOEXJN-VIFPVBQESA-N 0 3 251.286 1.257 10 5 CDBEHN C[C@@H](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N(C)C ZINC000358863837 158057331 /nfs/dbraw/zinc/05/73/31/158057331.db2.gz SFXXVRKNCQDXBF-QMMMGPOBSA-N 0 3 277.280 1.141 10 5 CDBEHN C[C@@H](N[C@H]1CCC(=O)N(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284311403 196027950 /nfs/dbraw/zinc/02/79/50/196027950.db2.gz ZGZFQXMUCPJXND-KOLCDFICSA-N 0 3 292.339 1.448 10 5 CDBEHN CNCc1ccc(OCC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000043445959 175047742 /nfs/dbraw/zinc/04/77/42/175047742.db2.gz RTUWTUCISSSAEM-UHFFFAOYSA-N 0 3 282.296 1.645 10 5 CDBEHN CN1CCCC[C@@H]1CNc1cc([N+](=O)[O-])ccn1 ZINC000044563219 175206718 /nfs/dbraw/zinc/20/67/18/175206718.db2.gz BJRPSPJZWRZNHV-LLVKDONJSA-N 0 3 250.302 1.886 10 5 CDBEHN CN[C@@](C)(C[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000068628204 522423087 /nfs/dbraw/zinc/42/30/87/522423087.db2.gz CJFKIQBFZJUBRC-ZANVPECISA-N 0 3 297.380 1.929 10 5 CDBEHN CCCNC(=O)[C@@H](C)Oc1cc(CNC)ccc1[N+](=O)[O-] ZINC000050516810 519888939 /nfs/dbraw/zinc/88/89/39/519888939.db2.gz QJOQZFREFDONML-SNVBAGLBSA-N 0 3 295.339 1.608 10 5 CDBEHN CN(Cc1ccc(N)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000050815879 523262966 /nfs/dbraw/zinc/26/29/66/523262966.db2.gz KJVOPVDRGCCMDE-NSHDSACASA-N 0 3 265.313 1.788 10 5 CDBEHN C[C@@H](C[C@](C)(N)C(N)=O)Oc1ccc([N+](=O)[O-])c(F)c1 ZINC000068652456 524861466 /nfs/dbraw/zinc/86/14/66/524861466.db2.gz SKNAMPQFZJQFGD-MADCSZMMSA-N 0 3 285.275 1.094 10 5 CDBEHN Cc1c(OCC[C@@H](NC(C)C)C(N)=O)cccc1[N+](=O)[O-] ZINC000062540513 525881638 /nfs/dbraw/zinc/88/16/38/525881638.db2.gz FUMDSMXWSFOWOI-LLVKDONJSA-N 0 3 295.339 1.524 10 5 CDBEHN Nc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1CCCO ZINC000052763196 527504012 /nfs/dbraw/zinc/50/40/12/527504012.db2.gz QDLMGUVLOGILPB-LBPRGKRZSA-N 0 3 279.340 1.914 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CN(C)C)C(C)C ZINC000733166914 575102714 /nfs/dbraw/zinc/10/27/14/575102714.db2.gz TXZOCVCDCQWMRL-CYBMUJFWSA-N 0 3 294.355 1.614 10 5 CDBEHN CCC[C@@H]1C[C@H](C(=O)OCC(C)[N+](=O)[O-])CCO1 ZINC000813113927 617347656 /nfs/dbraw/zinc/34/76/56/617347656.db2.gz WLMWBJZFPXXGBJ-HBNTYKKESA-N 0 3 259.302 1.790 10 5 CDBEHN C[C@@H]1[C@H](NC(=O)c2ccccc2[N+](=O)[O-])CCN1C ZINC000928457092 619121206 /nfs/dbraw/zinc/12/12/06/619121206.db2.gz YUDLIZYKDAYNQF-MWLCHTKSSA-N 0 3 263.297 1.417 10 5 CDBEHN CC(COC(=O)c1cccc(C[S@@](C)=O)c1)[N+](=O)[O-] ZINC000813107029 679803853 /nfs/dbraw/zinc/80/38/53/679803853.db2.gz KMSMIFQHFKGELK-ZRNGKTOUSA-N 0 3 285.321 1.387 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928443435 681829512 /nfs/dbraw/zinc/82/95/12/681829512.db2.gz FKSOLZBPUKHZSX-MFKMUULPSA-N 0 3 277.324 1.726 10 5 CDBEHN COC(=O)COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110493 681853619 /nfs/dbraw/zinc/85/36/19/681853619.db2.gz BVJKHAJQPIPZPO-SECBINFHSA-N 0 3 297.263 1.060 10 5 CDBEHN CC(COC(=O)c1ncccc1C(F)(F)F)[N+](=O)[O-] ZINC000813112623 682490089 /nfs/dbraw/zinc/49/00/89/682490089.db2.gz RTHBJONWBHGANC-ZCFIWIBFSA-N 0 3 278.186 1.922 10 5 CDBEHN CC(COC(=O)c1cnc([C@H]2CCCO2)s1)[N+](=O)[O-] ZINC000813112433 682711637 /nfs/dbraw/zinc/71/16/37/682711637.db2.gz PYGYFKKHJDDGEB-JGVFFNPUSA-N 0 3 286.309 1.817 10 5 CDBEHN Cc1nc(CCCC(=O)OCC(C)[N+](=O)[O-])cs1 ZINC000813107673 682719184 /nfs/dbraw/zinc/71/91/84/682719184.db2.gz QFMDTAVBPMKRGI-QMMMGPOBSA-N 0 3 272.326 1.983 10 5 CDBEHN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCN(C)[C@@H]1C ZINC000719626185 682850910 /nfs/dbraw/zinc/85/09/10/682850910.db2.gz RJAJRSDVYIATMF-KOLCDFICSA-N 0 3 250.302 1.803 10 5 CDBEHN O=[N+]([O-])c1ccc(OC[C@H]2CNCCO2)c(F)c1F ZINC000849240942 683300102 /nfs/dbraw/zinc/30/01/02/683300102.db2.gz ZPVZFMNQDODSKZ-SSDOTTSWSA-N 0 3 274.223 1.240 10 5 CDBEHN CC(COC(=O)Cc1ccc(-n2cccn2)cc1)[N+](=O)[O-] ZINC000813108212 683309424 /nfs/dbraw/zinc/30/94/24/683309424.db2.gz VQKDEPQRGJEFRO-NSHDSACASA-N 0 3 289.291 1.623 10 5 CDBEHN CC(COC(=O)c1ccc(N2CCCC2=O)cc1)[N+](=O)[O-] ZINC000813115356 683398363 /nfs/dbraw/zinc/39/83/63/683398363.db2.gz PXYMWPIRKFMJCZ-JTQLQIEISA-N 0 3 292.291 1.635 10 5 CDBEHN CC(COC(=O)c1occc1Br)[N+](=O)[O-] ZINC000813107876 683731538 /nfs/dbraw/zinc/73/15/38/683731538.db2.gz YLEKIBJBFFTHKM-RXMQYKEDSA-N 0 3 278.058 1.864 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@@H](CO)C2CCC2)c([N+](=O)[O-])c1 ZINC000852321241 683855703 /nfs/dbraw/zinc/85/57/03/683855703.db2.gz SKDQWOMXSSUMGW-LBPRGKRZSA-N 0 3 295.295 1.754 10 5 CDBEHN CCOc1ncccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813111661 684003369 /nfs/dbraw/zinc/00/33/69/684003369.db2.gz VTRKRIXPUXVMSY-MRVPVSSYSA-N 0 3 254.242 1.302 10 5 CDBEHN CC(COC(=O)c1cccc(N(C)C)c1)[N+](=O)[O-] ZINC000813105474 684216938 /nfs/dbraw/zinc/21/69/38/684216938.db2.gz MSCYKJFOAGYKEL-SECBINFHSA-N 0 3 252.270 1.575 10 5 CDBEHN C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000778140771 684302430 /nfs/dbraw/zinc/30/24/30/684302430.db2.gz FASKWSUVVVJKGE-ZANVPECISA-N 0 3 276.296 1.702 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN1C[C@@H](CO)[C@H](CCO)C1 ZINC001648634440 1169145458 /nfs/dbraw/zinc/14/54/58/1169145458.db2.gz FWWOLTUROBPTOP-YPMHNXCESA-N 0 3 280.324 1.018 10 5 CDBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)C1CC1 ZINC001322372034 960197428 /nfs/dbraw/zinc/19/74/28/960197428.db2.gz JMZOVYHTCFJUCP-UHFFFAOYSA-N 0 3 291.351 1.943 10 5 CDBEHN CCN1C[C@H](NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])C(C)(C)C1 ZINC001472056045 970556286 /nfs/dbraw/zinc/55/62/86/970556286.db2.gz FQAUZVJTOKWQRO-VIFPVBQESA-N 0 3 295.343 1.086 10 5 CDBEHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC(C2CC2)C1 ZINC000589656440 342511285 /nfs/dbraw/zinc/51/12/85/342511285.db2.gz COMXLHPLFBDNMM-ZDUSSCGKSA-N 0 3 292.335 1.676 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590045742 342520745 /nfs/dbraw/zinc/52/07/45/342520745.db2.gz UITJIDIUNFIECH-DGCLKSJQSA-N 0 3 275.308 1.371 10 5 CDBEHN NC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000401709568 342613859 /nfs/dbraw/zinc/61/38/59/342613859.db2.gz HDAHSKSVPIRMJP-QMMMGPOBSA-N 0 3 295.192 1.353 10 5 CDBEHN COC[C@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCCN1 ZINC000591590021 342635755 /nfs/dbraw/zinc/63/57/55/342635755.db2.gz NFAGEOHJNZRABX-ZDUSSCGKSA-N 0 3 279.296 1.302 10 5 CDBEHN O=[N+]([O-])c1ncccc1NC[C@H](O)CN1CCCCC1 ZINC000596279829 343297165 /nfs/dbraw/zinc/29/71/65/343297165.db2.gz QYARZVNMRLKDOD-NSHDSACASA-N 0 3 280.328 1.249 10 5 CDBEHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000597859646 343648505 /nfs/dbraw/zinc/64/85/05/343648505.db2.gz WWYWRVRGPRALMU-VIFPVBQESA-N 0 3 280.328 1.526 10 5 CDBEHN CCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCN(CC)C1 ZINC000598043856 343704047 /nfs/dbraw/zinc/70/40/47/343704047.db2.gz WRAXDNPGUJYLRB-SNVBAGLBSA-N 0 3 281.312 1.744 10 5 CDBEHN COc1ccc(CNCC2COC2)cc1[N+](=O)[O-] ZINC000599011528 343939271 /nfs/dbraw/zinc/93/92/71/343939271.db2.gz KEDBAXQIUWXSIF-UHFFFAOYSA-N 0 3 252.270 1.339 10 5 CDBEHN CC[C@@H](NC[C@@H]1COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000599081629 343957336 /nfs/dbraw/zinc/95/73/36/343957336.db2.gz SORYKAWFVYKVDQ-HUUCEWRRSA-N 0 3 293.367 1.966 10 5 CDBEHN CCN[C@H](CCO)C[S@@](=O)c1ccccc1[N+](=O)[O-] ZINC000085927950 179202643 /nfs/dbraw/zinc/20/26/43/179202643.db2.gz JEAOLDMTULFSBR-DGIBIBHMSA-N 0 3 286.353 1.063 10 5 CDBEHN CCN[C@@H](CCO)C[S@](=O)c1ccc([N+](=O)[O-])cc1 ZINC000085928050 179202767 /nfs/dbraw/zinc/20/27/67/179202767.db2.gz NITINBTZNCSZKN-APBUJDDRSA-N 0 3 286.353 1.063 10 5 CDBEHN Cc1cc(C(=O)N2CC[C@H](N(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000104898304 186030328 /nfs/dbraw/zinc/03/03/28/186030328.db2.gz NUFYGTXBMLWCAD-JTQLQIEISA-N 0 3 292.339 1.262 10 5 CDBEHN CN(C)CCn1cc(Nc2ccncc2[N+](=O)[O-])cn1 ZINC000066811285 350877029 /nfs/dbraw/zinc/87/70/29/350877029.db2.gz UVLIRCCDIIUEMX-UHFFFAOYSA-N 0 3 276.300 1.492 10 5 CDBEHN C[C@H](O)C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154224135 188130447 /nfs/dbraw/zinc/13/04/47/188130447.db2.gz WFYHEUJDJIPRKG-XHDPSFHLSA-N 0 3 294.351 1.721 10 5 CDBEHN Cn1cnc([N+](=O)[O-])c1NCCCNCc1cccnc1 ZINC000063197215 363397214 /nfs/dbraw/zinc/39/72/14/363397214.db2.gz PWLWRHLBCLQKLO-UHFFFAOYSA-N 0 3 290.327 1.315 10 5 CDBEHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1(CO)CC1 ZINC000190011287 358048746 /nfs/dbraw/zinc/04/87/46/358048746.db2.gz FUYUHMSNIOSGLJ-CYBMUJFWSA-N 0 3 280.324 1.333 10 5 CDBEHN C[C@]12CCN(CCn3ccc([N+](=O)[O-])n3)C[C@H]1C2(F)F ZINC000298187852 200355706 /nfs/dbraw/zinc/35/57/06/200355706.db2.gz AWRSWFXMAWEWJY-KOLCDFICSA-N 0 3 286.282 1.768 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCN2C)n1 ZINC000178185647 189096337 /nfs/dbraw/zinc/09/63/37/189096337.db2.gz CYVYLISLSCRHNS-JTQLQIEISA-N 0 3 250.302 1.804 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C(N)=O)CC1 ZINC000183227609 189351079 /nfs/dbraw/zinc/35/10/79/189351079.db2.gz QUZIWNUWRIMHOF-UHFFFAOYSA-N 0 3 277.324 1.601 10 5 CDBEHN CO[C@H](C)[C@H](C)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000191711458 189602859 /nfs/dbraw/zinc/60/28/59/189602859.db2.gz CZHLPLSHCPCMKH-HBNTYKKESA-N 0 3 295.339 1.935 10 5 CDBEHN CO[C@@H](C)[C@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000191709902 189602862 /nfs/dbraw/zinc/60/28/62/189602862.db2.gz ADHPAKPXAQGJJA-AXFHLTTASA-N 0 3 295.339 1.935 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000272655255 367787417 /nfs/dbraw/zinc/78/74/17/367787417.db2.gz GGZZMMMJIQZWCN-VIFPVBQESA-N 0 3 279.300 1.206 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000170864421 369979855 /nfs/dbraw/zinc/97/98/55/369979855.db2.gz DOBBXQZCDOFZMQ-LBPRGKRZSA-N 0 3 277.324 1.679 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170864422 369979883 /nfs/dbraw/zinc/97/98/83/369979883.db2.gz DOBBXQZCDOFZMQ-GFCCVEGCSA-N 0 3 277.324 1.679 10 5 CDBEHN O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@H]3CCCC[C@H]32)c1 ZINC000377727762 374616502 /nfs/dbraw/zinc/61/65/02/374616502.db2.gz VAASIEGSDHPPNG-RAIGVLPGSA-N 0 3 280.328 1.027 10 5 CDBEHN C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)N(C)C ZINC000299511299 374679422 /nfs/dbraw/zinc/67/94/22/374679422.db2.gz GEQKNACFQZFIKK-VIFPVBQESA-N 0 3 290.323 1.756 10 5 CDBEHN Cc1c(CN[C@@H]2CCC(=O)N[C@@H]2C)cccc1[N+](=O)[O-] ZINC000282199457 375070537 /nfs/dbraw/zinc/07/05/37/375070537.db2.gz CMMHRQGGZXWSGJ-ZYHUDNBSSA-N 0 3 277.324 1.660 10 5 CDBEHN O=C(c1csc([N+](=O)[O-])c1)N1CCN2CCC[C@@H]2C1 ZINC000049516040 375454071 /nfs/dbraw/zinc/45/40/71/375454071.db2.gz QPGJKYVXCLBRQM-SNVBAGLBSA-N 0 3 281.337 1.577 10 5 CDBEHN Cc1n[nH]c(C(=O)N[C@@H](CC(C)C)CN(C)C)c1[N+](=O)[O-] ZINC000264263180 190100305 /nfs/dbraw/zinc/10/03/05/190100305.db2.gz QAWVPAQHYFOJSO-JTQLQIEISA-N 0 3 297.359 1.332 10 5 CDBEHN C[C@H]1COCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000280640949 194912037 /nfs/dbraw/zinc/91/20/37/194912037.db2.gz RGXUXKNRCHBRNY-GXSJLCMTSA-N 0 3 290.323 1.986 10 5 CDBEHN COc1ccc(CN[C@H]2CN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000358014251 391941359 /nfs/dbraw/zinc/94/13/59/391941359.db2.gz BWBWSSRCCTXVJY-JQWIXIFHSA-N 0 3 279.340 1.643 10 5 CDBEHN CN(C/C=C\c1ccccc1[N+](=O)[O-])CCCO ZINC000442963245 392512540 /nfs/dbraw/zinc/51/25/40/392512540.db2.gz LNMNUCVXWWVPFJ-DAXSKMNVSA-N 0 3 250.298 1.922 10 5 CDBEHN CC(C)N(C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H](O)CO ZINC000421409774 392935100 /nfs/dbraw/zinc/93/51/00/392935100.db2.gz NNOVCBLDWGQIQG-BRLPQQTGSA-N 0 3 294.351 1.672 10 5 CDBEHN COC(=O)c1ccc(OC[C@H](C)N(C)C)c([N+](=O)[O-])c1 ZINC000358848322 158050845 /nfs/dbraw/zinc/05/08/45/158050845.db2.gz AWSVCIPQLILQKB-VIFPVBQESA-N 0 3 282.296 1.710 10 5 CDBEHN COCCN(C)CCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359109665 158128457 /nfs/dbraw/zinc/12/84/57/158128457.db2.gz PMWIYCXULYSCTI-UHFFFAOYSA-N 0 3 282.344 1.597 10 5 CDBEHN CCN1CCC(Nc2ccncc2[N+](=O)[O-])CC1 ZINC000038098350 174113211 /nfs/dbraw/zinc/11/32/11/174113211.db2.gz PPPSOWJITDSILU-UHFFFAOYSA-N 0 3 250.302 1.886 10 5 CDBEHN N[C@H]1CC(=O)N(c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000043493295 175057737 /nfs/dbraw/zinc/05/77/37/175057737.db2.gz UWAFVGLWGYKQAD-LURJTMIESA-N 0 3 255.661 1.312 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1N1CC[C@@H](NC2CC2)C1=O ZINC000071038642 176027166 /nfs/dbraw/zinc/02/71/66/176027166.db2.gz FHNDGEKRNQJWJT-LLVKDONJSA-N 0 3 291.307 1.461 10 5 CDBEHN O=[N+]([O-])c1cccc2ncnc(N3CCN4CCC[C@H]4C3)c21 ZINC000408193147 275039652 /nfs/dbraw/zinc/03/96/52/275039652.db2.gz BHDGBBLCINYBAM-NSHDSACASA-N 0 3 299.334 1.822 10 5 CDBEHN CN1C[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CCC1=O ZINC000563419592 316304310 /nfs/dbraw/zinc/30/43/10/316304310.db2.gz XHTVFEUQWLRQSC-ZWNOBZJWSA-N 0 3 289.335 1.793 10 5 CDBEHN CN[C@](C)(COc1ccc([N+](=O)[O-])c(Cl)c1)C(N)=O ZINC000050471946 522517549 /nfs/dbraw/zinc/51/75/49/522517549.db2.gz HKWJYRHLJGNTFY-LLVKDONJSA-N 0 3 287.703 1.090 10 5 CDBEHN CCNCc1ccc(OC[C@H](O)COCC)c([N+](=O)[O-])c1 ZINC000069274944 519999735 /nfs/dbraw/zinc/99/97/35/519999735.db2.gz XJTGQCLDTYJKIA-GFCCVEGCSA-N 0 3 298.339 1.481 10 5 CDBEHN CCNc1ccc(CN(CCO)C2CC2)cc1[N+](=O)[O-] ZINC000050818008 520301320 /nfs/dbraw/zinc/30/13/20/520301320.db2.gz RLMPYMGHKXLULS-UHFFFAOYSA-N 0 3 279.340 1.983 10 5 CDBEHN CC1(C)NC(=O)CC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000338600951 520593333 /nfs/dbraw/zinc/59/33/33/520593333.db2.gz ZNFOQXMAJKHGOH-LBPRGKRZSA-N 0 3 277.324 1.742 10 5 CDBEHN COCC[C@H](N)C(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000052810411 521944125 /nfs/dbraw/zinc/94/41/25/521944125.db2.gz LPMWPRDARKELAP-JTQLQIEISA-N 0 3 281.312 1.514 10 5 CDBEHN CN[C@](C)(C[C@H](C)Sc1ccccc1[N+](=O)[O-])C(N)=O ZINC000068628513 522524875 /nfs/dbraw/zinc/52/48/75/522524875.db2.gz JMYWFYJGTTZFFT-TVQRCGJNSA-N 0 3 297.380 1.929 10 5 CDBEHN O=[N+]([O-])c1cc(CNCCOCCO)ccc1Cl ZINC000061012295 527329412 /nfs/dbraw/zinc/32/94/12/527329412.db2.gz SGKUKTDKSJSCKX-UHFFFAOYSA-N 0 3 274.704 1.347 10 5 CDBEHN C[C@H]1CCCN1CCNc1ccncc1[N+](=O)[O-] ZINC000742427831 576602710 /nfs/dbraw/zinc/60/27/10/576602710.db2.gz QXLDJBXGKZMYLE-JTQLQIEISA-N 0 3 250.302 1.308 10 5 CDBEHN COc1cc(C)cnc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104936 617343116 /nfs/dbraw/zinc/34/31/16/617343116.db2.gz TUEBIPJFJRJOAY-MRVPVSSYSA-N 0 3 254.242 1.221 10 5 CDBEHN CCCC[C@H](NC(=O)NCC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813111477 617346129 /nfs/dbraw/zinc/34/61/29/617346129.db2.gz IEACFPBKUVRSJP-ZJUUUORDSA-N 0 3 289.332 1.073 10 5 CDBEHN C[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000815165798 685561216 /nfs/dbraw/zinc/56/12/16/685561216.db2.gz WKQGTICASYBDQG-BREBYQMCSA-N 0 3 250.298 1.968 10 5 CDBEHN CC(COC(=O)c1ccc2c(c1)COC2)[N+](=O)[O-] ZINC000813115568 684313447 /nfs/dbraw/zinc/31/34/47/684313447.db2.gz VNDIMKBDLPGFMJ-QMMMGPOBSA-N 0 3 251.238 1.539 10 5 CDBEHN CC(COC(=O)[C@H]1CCCN1c1ccccc1)[N+](=O)[O-] ZINC000813112497 684477239 /nfs/dbraw/zinc/47/72/39/684477239.db2.gz QTCGXBBMIDRAPS-WCQYABFASA-N 0 3 278.308 1.864 10 5 CDBEHN Cc1ccc(CNC[C@H](O)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000872231965 684495679 /nfs/dbraw/zinc/49/56/79/684495679.db2.gz VJEXGSKBANTZGI-GFCCVEGCSA-N 0 3 282.340 1.515 10 5 CDBEHN CC(COC(=O)Cc1cc(F)c(F)cc1F)[N+](=O)[O-] ZINC000813104037 684604869 /nfs/dbraw/zinc/60/48/69/684604869.db2.gz WOFWATSZRHTGRS-LURJTMIESA-N 0 3 277.198 1.855 10 5 CDBEHN C[N@@H+]1CC[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC[C@@H]21 ZINC000866207697 684689631 /nfs/dbraw/zinc/68/96/31/684689631.db2.gz FRWAMGDBFBYKGE-UWVGGRQHSA-N 0 3 278.312 1.226 10 5 CDBEHN C[N@H+]1CC[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC[C@@H]21 ZINC000866207697 684689637 /nfs/dbraw/zinc/68/96/37/684689637.db2.gz FRWAMGDBFBYKGE-UWVGGRQHSA-N 0 3 278.312 1.226 10 5 CDBEHN Cn1nccc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818952450 684901974 /nfs/dbraw/zinc/90/19/74/684901974.db2.gz LZYDRHCTJMAJPS-CYBMUJFWSA-N 0 3 276.296 1.152 10 5 CDBEHN CC(COC(=O)c1cccc(C(=O)NC2CC2)c1)[N+](=O)[O-] ZINC000813103086 685018309 /nfs/dbraw/zinc/01/83/09/685018309.db2.gz NBUPWHCFOBFQGD-VIFPVBQESA-N 0 3 292.291 1.401 10 5 CDBEHN CO[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813104442 685022935 /nfs/dbraw/zinc/02/29/35/685022935.db2.gz CUUFSKQIZAPFAS-GXSJLCMTSA-N 0 3 253.254 1.583 10 5 CDBEHN CCN(CC(=O)OCC(C)[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000813103802 685028911 /nfs/dbraw/zinc/02/89/11/685028911.db2.gz UHSIULLQVUDSKA-VIFPVBQESA-N 0 3 290.316 1.452 10 5 CDBEHN Cc1nn(CC(C)C)c(C)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813112513 686007745 /nfs/dbraw/zinc/00/77/45/686007745.db2.gz RMMFNICTNAONTF-SNVBAGLBSA-N 0 3 297.355 1.907 10 5 CDBEHN O=C(c1cc([N+](=O)[O-])ccc1F)N1CCN2CCC[C@@H]2C1 ZINC000038107489 686338188 /nfs/dbraw/zinc/33/81/88/686338188.db2.gz NZWIZHIQLBVFFO-LLVKDONJSA-N 0 3 293.298 1.654 10 5 CDBEHN Cc1ccc(O[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813107931 687129842 /nfs/dbraw/zinc/12/98/42/687129842.db2.gz RUKROJOIYYSMQW-MNOVXSKESA-N 0 3 267.281 1.971 10 5 CDBEHN CC(COC(=O)[C@@H]1CCOc2ccccc21)[N+](=O)[O-] ZINC000813112267 687259977 /nfs/dbraw/zinc/25/99/77/687259977.db2.gz FCXKRUNZZZCNOB-MWLCHTKSSA-N 0 3 265.265 1.761 10 5 CDBEHN C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000815165800 687842406 /nfs/dbraw/zinc/84/24/06/687842406.db2.gz WKQGTICASYBDQG-GBIKHYSHSA-N 0 3 250.298 1.968 10 5 CDBEHN Cc1nc([C@@H]2CCN(Cc3cccnc3[N+](=O)[O-])C2)n[nH]1 ZINC001643450657 1167251329 /nfs/dbraw/zinc/25/13/29/1167251329.db2.gz ZRGWAYFZCRRBBR-SNVBAGLBSA-N 0 3 288.311 1.406 10 5 CDBEHN Cc1nnc([C@@H]2CCN(Cc3cccnc3[N+](=O)[O-])C2)[nH]1 ZINC001643450657 1167251336 /nfs/dbraw/zinc/25/13/36/1167251336.db2.gz ZRGWAYFZCRRBBR-SNVBAGLBSA-N 0 3 288.311 1.406 10 5 CDBEHN CC(C)OC[C@H](O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000037894566 1165807848 /nfs/dbraw/zinc/80/78/48/1165807848.db2.gz JFLWPFUVSNTGKI-CYBMUJFWSA-N 0 3 268.313 1.470 10 5 CDBEHN CC(C)OC[C@H](O)CNCc1ccccc1[N+](=O)[O-] ZINC000050015748 1166618511 /nfs/dbraw/zinc/61/85/11/1166618511.db2.gz JOODBIIYBLJWEG-GFCCVEGCSA-N 0 3 268.313 1.470 10 5 CDBEHN CN(CCCC[NH+](C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001640354865 1167017126 /nfs/dbraw/zinc/01/71/26/1167017126.db2.gz GLAFGRKVHKHTKD-UHFFFAOYSA-N 0 3 268.317 1.473 10 5 CDBEHN Cc1c(C(=O)N[C@H]2CN(C)CC2(C)C)cccc1[N+](=O)[O-] ZINC001558504575 965301442 /nfs/dbraw/zinc/30/14/42/965301442.db2.gz ZKDDLGTYOBMUCZ-ZDUSSCGKSA-N 0 3 291.351 1.973 10 5 CDBEHN C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC001544079308 967336812 /nfs/dbraw/zinc/33/68/12/967336812.db2.gz LTNSRCAIKQXIID-VHSXEESVSA-N 0 3 295.343 1.311 10 5 CDBEHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1cn[nH]n1 ZINC000600175789 341983100 /nfs/dbraw/zinc/98/31/00/341983100.db2.gz CIAYEZYAAHEJJV-SNVBAGLBSA-N 0 3 275.312 1.824 10 5 CDBEHN CCN1CC[C@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401162151 342480693 /nfs/dbraw/zinc/48/06/93/342480693.db2.gz CCOOUNWHNRHFEB-VIFPVBQESA-N 0 3 254.265 1.635 10 5 CDBEHN CN(C)C[C@H]1CCCN1c1ncccc1[N+](=O)[O-] ZINC000268183726 282134246 /nfs/dbraw/zinc/13/42/46/282134246.db2.gz NUQVUVQXOLDKKH-SNVBAGLBSA-N 0 3 250.302 1.520 10 5 CDBEHN NC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000401711617 342623546 /nfs/dbraw/zinc/62/35/46/342623546.db2.gz VZVQEHPZNYJQJH-MRVPVSSYSA-N 0 3 277.202 1.214 10 5 CDBEHN NC[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])C(F)(F)F ZINC000401713445 342624689 /nfs/dbraw/zinc/62/46/89/342624689.db2.gz JSQJFMVSYVOMFO-MRVPVSSYSA-N 0 3 295.192 1.353 10 5 CDBEHN CC(C)(CNCc1ccccc1[N+](=O)[O-])[C@]1(O)CCOC1 ZINC000592375637 342686794 /nfs/dbraw/zinc/68/67/94/342686794.db2.gz XXRORNIXKWAPDI-HNNXBMFYSA-N 0 3 294.351 1.862 10 5 CDBEHN CN1C[C@H](CNCc2csc([N+](=O)[O-])c2)CC1=O ZINC000594982427 342993419 /nfs/dbraw/zinc/99/34/19/342993419.db2.gz FJZOIAKRMMWBJE-QMMMGPOBSA-N 0 3 269.326 1.224 10 5 CDBEHN COC(=O)[C@@H]1C[C@H]1[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000594920844 342987188 /nfs/dbraw/zinc/98/71/88/342987188.db2.gz AZDIDRMTJHHECF-JIMOISOXSA-N 0 3 278.308 1.882 10 5 CDBEHN COc1ccc(CN[C@@H]2C[C@@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000594985898 342994017 /nfs/dbraw/zinc/99/40/17/342994017.db2.gz CHSJSBLEFBLZNL-ZIAGYGMSSA-N 0 3 292.335 1.997 10 5 CDBEHN Cc1noc(CN(C)[C@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000595318603 343034518 /nfs/dbraw/zinc/03/45/18/343034518.db2.gz WPOCCLAYVXMRES-NSHDSACASA-N 0 3 280.328 1.560 10 5 CDBEHN O=[N+]([O-])c1ccc(OCCN2CC[C@H]3COC[C@@H]3C2)cc1 ZINC000595833875 343169876 /nfs/dbraw/zinc/16/98/76/343169876.db2.gz SMZLUMGVAGNIDI-STQMWFEESA-N 0 3 292.335 1.942 10 5 CDBEHN O=[N+]([O-])c1cccc(OCCN2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000595835105 343170236 /nfs/dbraw/zinc/17/02/36/343170236.db2.gz ULAZOKHMEOSAIE-OLZOCXBDSA-N 0 3 292.335 1.942 10 5 CDBEHN CC12CC(C1)CN2C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595915123 343190943 /nfs/dbraw/zinc/19/09/43/343190943.db2.gz JRRMWNHQRDNVJJ-GLWUULTISA-N 0 3 292.335 1.819 10 5 CDBEHN CCN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])[C@@H]1CCN(CC)C1 ZINC000598040475 343703235 /nfs/dbraw/zinc/70/32/35/343703235.db2.gz GAUXMQHOTOUMBL-SNVBAGLBSA-N 0 3 295.343 1.183 10 5 CDBEHN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H]1CCN(CC)C1 ZINC000598040475 343703237 /nfs/dbraw/zinc/70/32/37/343703237.db2.gz GAUXMQHOTOUMBL-SNVBAGLBSA-N 0 3 295.343 1.183 10 5 CDBEHN O=[N+]([O-])c1cnc(NC[C@@H]2CCN2C2CCCC2)nc1 ZINC000599163117 343972056 /nfs/dbraw/zinc/97/20/56/343972056.db2.gz AZXKHFMBHAUTBB-NSHDSACASA-N 0 3 277.328 1.236 10 5 CDBEHN CCN1CCN([C@H](C)CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000344422200 362767960 /nfs/dbraw/zinc/76/79/60/362767960.db2.gz BUALUXVLOIQWAP-GFCCVEGCSA-N 0 3 293.371 1.428 10 5 CDBEHN COC[C@@](C)(CCO)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000085903644 179196442 /nfs/dbraw/zinc/19/64/42/179196442.db2.gz DIIWLEKHEJGNHA-CQSZACIVSA-N 0 3 298.339 1.351 10 5 CDBEHN COC[C@H]1CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000293695993 362930686 /nfs/dbraw/zinc/93/06/86/362930686.db2.gz WSPOZZKIDSYHAN-CYBMUJFWSA-N 0 3 250.298 1.858 10 5 CDBEHN CO[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[C@H]1C ZINC000189332911 357997289 /nfs/dbraw/zinc/99/72/89/357997289.db2.gz LMTKYBHPFNRKBB-MNOVXSKESA-N 0 3 268.317 1.148 10 5 CDBEHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)CN(C)C)c1 ZINC000134360400 360949646 /nfs/dbraw/zinc/94/96/46/360949646.db2.gz QAKQPISUGMQERA-SECBINFHSA-N 0 3 281.312 1.743 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](C(N)=O)C1 ZINC000183207756 189350203 /nfs/dbraw/zinc/35/02/03/189350203.db2.gz WCMJMAVQENVDGZ-LBPRGKRZSA-N 0 3 277.324 1.601 10 5 CDBEHN CN(C[C@@H]1CCCN1C)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000420644538 244309121 /nfs/dbraw/zinc/30/91/21/244309121.db2.gz ZEWMGPRRQTYFEE-JTQLQIEISA-N 0 3 290.327 1.168 10 5 CDBEHN CN1CC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000367838247 370966868 /nfs/dbraw/zinc/96/68/68/370966868.db2.gz BTNYUVVTHWWGFH-CQSZACIVSA-N 0 3 290.323 1.158 10 5 CDBEHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000170855054 369950307 /nfs/dbraw/zinc/95/03/07/369950307.db2.gz ZZOYLIVSZFRICN-SNVBAGLBSA-N 0 3 293.323 1.380 10 5 CDBEHN CN(C)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000116788558 374485924 /nfs/dbraw/zinc/48/59/24/374485924.db2.gz NYCZMKZAPHYXGR-VIFPVBQESA-N 0 3 299.352 1.059 10 5 CDBEHN C[C@@H]1NC(=O)CC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000282361524 375082090 /nfs/dbraw/zinc/08/20/90/375082090.db2.gz NJCXVRTUAQGZLM-JOYOIKCWSA-N 0 3 263.297 1.352 10 5 CDBEHN Cc1n[nH]c(C(=O)NCCN2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000299514348 375051343 /nfs/dbraw/zinc/05/13/43/375051343.db2.gz HGOZQUDKPPZOGG-SECBINFHSA-N 0 3 295.343 1.231 10 5 CDBEHN CCc1ccc(OC[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000080760590 542006749 /nfs/dbraw/zinc/00/67/49/542006749.db2.gz ZBAJDFXMBUSIPU-NSHDSACASA-N 0 3 266.297 1.524 10 5 CDBEHN CC(C)N(CCn1ccc([N+](=O)[O-])n1)[C@H]1CCOC1 ZINC000291712372 391051877 /nfs/dbraw/zinc/05/18/77/391051877.db2.gz IQLARIZLIXBDEV-NSHDSACASA-N 0 3 268.317 1.291 10 5 CDBEHN CNC(=O)[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000420971227 392922340 /nfs/dbraw/zinc/92/23/40/392922340.db2.gz HQBPILFIYGPYDC-LLVKDONJSA-N 0 3 263.297 1.163 10 5 CDBEHN C[C@@H]1CC[C@@H](O)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000421014510 392926062 /nfs/dbraw/zinc/92/60/62/392926062.db2.gz KLUJKZZJNABLCR-DGCLKSJQSA-N 0 3 280.324 1.819 10 5 CDBEHN CC(C)C[C@@H](CO)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000185336264 140037677 /nfs/dbraw/zinc/03/76/77/140037677.db2.gz XOZZOLXGDKPWCK-ZDUSSCGKSA-N 0 3 297.355 1.095 10 5 CDBEHN CC[C@@H](NC[C@@](C)(O)C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000343759738 152293244 /nfs/dbraw/zinc/29/32/44/152293244.db2.gz IFGDGYGZFPEGBD-TZMCWYRMSA-N 0 3 296.323 1.560 10 5 CDBEHN CO[C@H]1CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000040632956 174359587 /nfs/dbraw/zinc/35/95/87/174359587.db2.gz GPNGSHVTMJDVRT-KCJUWKMLSA-N 0 3 299.714 1.564 10 5 CDBEHN CN1CCCC[C@H]1CNCc1ccc([N+](=O)[O-])o1 ZINC000044561084 175204971 /nfs/dbraw/zinc/20/49/71/175204971.db2.gz OLVJCIMKRHEFAO-JTQLQIEISA-N 0 3 253.302 1.762 10 5 CDBEHN O=C1[C@@H](NC2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000071038871 176027092 /nfs/dbraw/zinc/02/70/92/176027092.db2.gz HOJVOIHORZPBLR-LBPRGKRZSA-N 0 3 261.281 1.452 10 5 CDBEHN Cc1nc(N2CCC[C@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000268604741 274841308 /nfs/dbraw/zinc/84/13/08/274841308.db2.gz KQYQLKNPHGKZLD-NSHDSACASA-N 0 3 264.329 1.829 10 5 CDBEHN O=[N+]([O-])c1c(N2CCN3CCC[C@H]3C2)nc2sccn21 ZINC000248892598 275032662 /nfs/dbraw/zinc/03/26/62/275032662.db2.gz DXWSBRVFERFYAS-VIFPVBQESA-N 0 3 293.352 1.588 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCN1C ZINC000194834265 280059017 /nfs/dbraw/zinc/05/90/17/280059017.db2.gz PTTDJZVVBYTWSO-GFCCVEGCSA-N 0 3 277.324 1.727 10 5 CDBEHN Cc1c(CN2CCNC[C@H]2C(F)F)cccc1[N+](=O)[O-] ZINC000569811443 316853455 /nfs/dbraw/zinc/85/34/55/316853455.db2.gz XINRPPYHOBJOIR-LBPRGKRZSA-N 0 3 285.294 1.942 10 5 CDBEHN CNC(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183341771 323331740 /nfs/dbraw/zinc/33/17/40/323331740.db2.gz NPSVFWMOPMLZDO-CYBMUJFWSA-N 0 3 291.351 1.861 10 5 CDBEHN CCCNCc1cc([N+](=O)[O-])ccc1O[C@H](CC)C(N)=O ZINC000061675905 519948269 /nfs/dbraw/zinc/94/82/69/519948269.db2.gz MMEZZDCOGOGTFB-GFCCVEGCSA-N 0 3 295.339 1.737 10 5 CDBEHN CCOCCOc1cc(CNC)ccc1[N+](=O)[O-] ZINC000050516711 520040506 /nfs/dbraw/zinc/04/05/06/520040506.db2.gz DMRIWANSKYOLCJ-UHFFFAOYSA-N 0 3 254.286 1.730 10 5 CDBEHN CNCc1ccc(OC[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000068876014 522121403 /nfs/dbraw/zinc/12/14/03/522121403.db2.gz GOIIUMVOBIZDBL-JTQLQIEISA-N 0 3 294.229 1.616 10 5 CDBEHN CNc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N(C)C)c1 ZINC000050779924 522641054 /nfs/dbraw/zinc/64/10/54/522641054.db2.gz ZSLIHGQROKAFNC-SECBINFHSA-N 0 3 280.328 1.316 10 5 CDBEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1csc([N+](=O)[O-])c1 ZINC000069132759 525097730 /nfs/dbraw/zinc/09/77/30/525097730.db2.gz FTYRVZFAQHZCMA-HTQZYQBOSA-N 0 3 269.326 1.479 10 5 CDBEHN NC(=O)[C@H](CCSc1ccc([N+](=O)[O-])cc1)NC1CC1 ZINC000062596640 526991815 /nfs/dbraw/zinc/99/18/15/526991815.db2.gz VHBLQVCFJPXCSI-LBPRGKRZSA-N 0 3 295.364 1.683 10 5 CDBEHN NCc1cc([N+](=O)[O-])ccc1OC[C@H](O)C(F)(F)F ZINC000068876675 527250664 /nfs/dbraw/zinc/25/06/64/527250664.db2.gz XYAPSRPPOSEEFU-VIFPVBQESA-N 0 3 280.202 1.356 10 5 CDBEHN CCN1CCC[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183630476 535578747 /nfs/dbraw/zinc/57/87/47/535578747.db2.gz XDHXGMLUEWKSKF-JTQLQIEISA-N 0 3 293.327 1.596 10 5 CDBEHN CCc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110160 617345734 /nfs/dbraw/zinc/34/57/34/617345734.db2.gz UAYCYPQNYGMYMQ-SNVBAGLBSA-N 0 3 251.282 2.000 10 5 CDBEHN CC(COC(=O)c1ccc(-n2cncn2)cc1)[N+](=O)[O-] ZINC000813111686 617346331 /nfs/dbraw/zinc/34/63/31/617346331.db2.gz WBOFBWDXDSHLJA-VIFPVBQESA-N 0 3 276.252 1.089 10 5 CDBEHN CC(COC(=O)C[C@@H]1OCCc2ccccc21)[N+](=O)[O-] ZINC000813114263 617349019 /nfs/dbraw/zinc/34/90/19/617349019.db2.gz OMFRSDMEARCMGO-MFKMUULPSA-N 0 3 279.292 1.899 10 5 CDBEHN CC(COC(=O)CNC(=O)CC1CCCCC1)[N+](=O)[O-] ZINC000813114327 617349078 /nfs/dbraw/zinc/34/90/78/617349078.db2.gz PUEKDMBJQWGFQW-SNVBAGLBSA-N 0 3 286.328 1.281 10 5 CDBEHN Cc1nn(C)c(C)c1[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813115140 617349086 /nfs/dbraw/zinc/34/90/86/617349086.db2.gz LCMQVVLUAVFINA-YUMQZZPRSA-N 0 3 269.301 1.349 10 5 CDBEHN CC[C@@H](CNCc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000895119254 619313004 /nfs/dbraw/zinc/31/30/04/619313004.db2.gz BOAAROPKRJTJRC-NSHDSACASA-N 0 3 266.297 1.884 10 5 CDBEHN CCO[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813115663 693986114 /nfs/dbraw/zinc/98/61/14/693986114.db2.gz XHTDFNPWLYTTIN-CMPLNLGQSA-N 0 3 267.281 1.973 10 5 CDBEHN CC(COC(=O)Cc1cn2ccccc2n1)[N+](=O)[O-] ZINC000813104808 693989743 /nfs/dbraw/zinc/98/97/43/693989743.db2.gz RWPTYNIIDMCHEG-VIFPVBQESA-N 0 3 263.253 1.085 10 5 CDBEHN CC(COC(=O)CSCc1cscn1)[N+](=O)[O-] ZINC000813101475 694026441 /nfs/dbraw/zinc/02/64/41/694026441.db2.gz BGGCOWVYMFXMNE-ZETCQYMHSA-N 0 3 276.339 1.585 10 5 CDBEHN CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000703519662 694075844 /nfs/dbraw/zinc/07/58/44/694075844.db2.gz HQPDXVYTAREONY-AOOOYVTPSA-N 0 3 297.742 1.944 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928451484 692724695 /nfs/dbraw/zinc/72/46/95/692724695.db2.gz LHLFMKWAVLDYTP-CABZTGNLSA-N 0 3 278.312 1.121 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928451485 692815666 /nfs/dbraw/zinc/81/56/66/692815666.db2.gz LHLFMKWAVLDYTP-JOYOIKCWSA-N 0 3 278.312 1.121 10 5 CDBEHN CC(COC(=O)[C@@H]1CCCN1c1nccs1)[N+](=O)[O-] ZINC000813112538 692987714 /nfs/dbraw/zinc/98/77/14/692987714.db2.gz HYTOPJFEZVHVKO-IUCAKERBSA-N 0 3 285.325 1.320 10 5 CDBEHN CC(COC(=O)C[C@H](C)c1ccncc1)[N+](=O)[O-] ZINC000813115589 693189615 /nfs/dbraw/zinc/18/96/15/693189615.db2.gz WAIOBYLUTSAUSX-VHSXEESVSA-N 0 3 252.270 1.784 10 5 CDBEHN O=C1OC[C@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000860157878 694747854 /nfs/dbraw/zinc/74/78/54/694747854.db2.gz GDJRXOTWUSEBFI-ZWNOBZJWSA-N 0 3 292.291 1.078 10 5 CDBEHN CC(COC(=O)c1nn(C)cc1Br)[N+](=O)[O-] ZINC000816092006 694634121 /nfs/dbraw/zinc/63/41/21/694634121.db2.gz PUCSJLLMKASRSP-YFKPBYRVSA-N 0 3 292.089 1.005 10 5 CDBEHN CC[C@H](NC[C@@H](O)[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000717369681 694637311 /nfs/dbraw/zinc/63/73/11/694637311.db2.gz VREBUDIAHRZTPY-TVYUQYBPSA-N 0 3 268.313 1.377 10 5 CDBEHN C[C@@H](CO)[C@H](C)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000167066000 694755200 /nfs/dbraw/zinc/75/52/00/694755200.db2.gz OJQNFYNAPNBCCJ-IUCAKERBSA-N 0 3 256.277 1.840 10 5 CDBEHN O=C1O[C@H](CNCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000848577840 694772635 /nfs/dbraw/zinc/77/26/35/694772635.db2.gz KSVMHFAKMAVLCS-CYBMUJFWSA-N 0 3 291.307 1.668 10 5 CDBEHN O=[N+]([O-])c1cc(Cl)c(F)cc1OC[C@H]1CNCCO1 ZINC000164077701 694856631 /nfs/dbraw/zinc/85/66/31/694856631.db2.gz JDSXQJCHNRYDGS-SSDOTTSWSA-N 0 3 290.678 1.755 10 5 CDBEHN Cc1cc(C)n([C@@H](C)CC(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813102566 694879517 /nfs/dbraw/zinc/87/95/17/694879517.db2.gz RWXSGPWWWZENCS-WDEREUQCSA-N 0 3 269.301 1.659 10 5 CDBEHN CC(COC(=O)CO[C@@H]1CCCC[C@H]1C)[N+](=O)[O-] ZINC000813114363 695098042 /nfs/dbraw/zinc/09/80/42/695098042.db2.gz AGOAMIQTMJKURV-GMTAPVOTSA-N 0 3 259.302 1.790 10 5 CDBEHN O=[N+]([O-])c1ccc(Cl)cc1N1CC(N[C@@H]2CCOC2)C1 ZINC001640464832 1167027968 /nfs/dbraw/zinc/02/79/68/1167027968.db2.gz IFNSJCUWGCFCLQ-SNVBAGLBSA-N 0 3 297.742 1.815 10 5 CDBEHN CC(C)c1nn(C)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112353 723087962 /nfs/dbraw/zinc/08/79/62/723087962.db2.gz FUUKQBXVCOUDDG-QMMMGPOBSA-N 0 3 255.274 1.366 10 5 CDBEHN Cc1cccnc1/C=C\C(=O)OCC(C)[N+](=O)[O-] ZINC000813109364 723133320 /nfs/dbraw/zinc/13/33/20/723133320.db2.gz JCLUSZJNWADHSP-WWQCOOJYSA-N 0 3 250.254 1.612 10 5 CDBEHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CNOC1 ZINC000925867965 723224895 /nfs/dbraw/zinc/22/48/95/723224895.db2.gz RHGNRXLMGYYKSO-WDEREUQCSA-N 0 3 297.380 1.959 10 5 CDBEHN Cc1cccc(C)c1OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813115391 915289630 /nfs/dbraw/zinc/28/96/30/915289630.db2.gz QSIJXRJQADOLNL-LLVKDONJSA-N 0 3 267.281 1.891 10 5 CDBEHN Cc1cc(C(=O)N[C@H]2CN(C)CC2(C)C)ccc1[N+](=O)[O-] ZINC001178703508 915599319 /nfs/dbraw/zinc/59/93/19/915599319.db2.gz DAKFHNZNOXMYOF-ZDUSSCGKSA-N 0 3 291.351 1.973 10 5 CDBEHN O=[N+]([O-])c1ccc([C@@H](O)CN2C[C@H](O)C3(CC3)C2)cc1 ZINC001325881175 954122336 /nfs/dbraw/zinc/12/23/36/954122336.db2.gz PTPOINZJTQTMES-STQMWFEESA-N 0 3 278.308 1.085 10 5 CDBEHN O=C(Nc1ccc2cncn2c1)c1cc([N+](=O)[O-])n[nH]1 ZINC001472134668 970588110 /nfs/dbraw/zinc/58/81/10/970588110.db2.gz IMXNVODCUAOXBY-UHFFFAOYSA-N 0 3 272.224 1.218 10 5 CDBEHN COc1cc(CN(CCCO)C2CC2)ccc1[N+](=O)[O-] ZINC000611516483 346807415 /nfs/dbraw/zinc/80/74/15/346807415.db2.gz VKVNLQDUTXMYHU-UHFFFAOYSA-N 0 3 280.324 1.950 10 5 CDBEHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000590045741 342520800 /nfs/dbraw/zinc/52/08/00/342520800.db2.gz UITJIDIUNFIECH-AAEUAGOBSA-N 0 3 275.308 1.371 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CN)C(F)(F)F ZINC000401718726 342626913 /nfs/dbraw/zinc/62/69/13/342626913.db2.gz IGEZPHDTZCLSNC-VIFPVBQESA-N 0 3 291.229 1.523 10 5 CDBEHN C/C=C\CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000600755421 342247612 /nfs/dbraw/zinc/24/76/12/342247612.db2.gz JZTMTULVTHEQEV-QUCGXOGASA-N 0 3 266.297 1.500 10 5 CDBEHN COc1ccc(CN[C@H]2C[C@@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000594985897 342993766 /nfs/dbraw/zinc/99/37/66/342993766.db2.gz CHSJSBLEFBLZNL-UONOGXRCSA-N 0 3 292.335 1.997 10 5 CDBEHN COC[C@@H](CCNCc1csc([N+](=O)[O-])c1)OC ZINC000594954990 342983013 /nfs/dbraw/zinc/98/30/13/342983013.db2.gz JJDJMTHPVOLICZ-SNVBAGLBSA-N 0 3 274.342 1.797 10 5 CDBEHN Cc1c([C@@H](C)NC[C@@H]2CCC(=O)N2)cccc1[N+](=O)[O-] ZINC000595088852 343003222 /nfs/dbraw/zinc/00/32/22/343003222.db2.gz DXFMHPHSTSENOU-MNOVXSKESA-N 0 3 277.324 1.832 10 5 CDBEHN N[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1F ZINC000595260978 343014640 /nfs/dbraw/zinc/01/46/40/343014640.db2.gz PPAKBBCLXOWKDN-NXEZZACHSA-N 0 3 267.260 1.106 10 5 CDBEHN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)N1 ZINC000598535377 343827902 /nfs/dbraw/zinc/82/79/02/343827902.db2.gz DAPKBEIQVVFDEO-DTWKUNHWSA-N 0 3 283.353 1.869 10 5 CDBEHN CN1CCOC[C@H]1CNCc1ccc([N+](=O)[O-])cc1 ZINC000599003496 343937437 /nfs/dbraw/zinc/93/74/37/343937437.db2.gz IOJKLWYZGREHRA-CYBMUJFWSA-N 0 3 265.313 1.015 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000603843197 344837891 /nfs/dbraw/zinc/83/78/91/344837891.db2.gz DQRUFHANCXRLAG-ZWNOBZJWSA-N 0 3 290.323 1.763 10 5 CDBEHN CN1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000604229164 344869825 /nfs/dbraw/zinc/86/98/25/344869825.db2.gz KBGHWCUZWOUPSW-NSHDSACASA-N 0 3 278.312 1.811 10 5 CDBEHN CCN1CC[C@H]2OCCN(c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000292932335 362519697 /nfs/dbraw/zinc/51/96/97/362519697.db2.gz ZNVSOUQRCFDIJC-LSDHHAIUSA-N 0 3 291.351 1.894 10 5 CDBEHN CN1CCN(CCCCNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000609797081 346000769 /nfs/dbraw/zinc/00/07/69/346000769.db2.gz ALPBZWNSFVOFRP-UHFFFAOYSA-N 0 3 293.371 1.429 10 5 CDBEHN COCCN1CCC[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000068910784 349083834 /nfs/dbraw/zinc/08/38/34/349083834.db2.gz SMVNJOSWBITRNT-NSHDSACASA-N 0 3 280.328 1.513 10 5 CDBEHN Cc1c(CN2CCO[C@H](CN(C)C)C2)cccc1[N+](=O)[O-] ZINC000105924656 186090369 /nfs/dbraw/zinc/09/03/69/186090369.db2.gz BJHOOLHFRMAMKL-CQSZACIVSA-N 0 3 293.367 1.666 10 5 CDBEHN CCC[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])N(C)C ZINC000179143145 189172501 /nfs/dbraw/zinc/17/25/01/189172501.db2.gz ORFQSZQEPVFBJE-CYBMUJFWSA-N 0 3 279.340 1.941 10 5 CDBEHN Cc1c([C@@H](C)NC[C@@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC000180488267 189258100 /nfs/dbraw/zinc/25/81/00/189258100.db2.gz MBZBJQTZPILAKA-CHWSQXEVSA-N 0 3 293.367 1.884 10 5 CDBEHN Cc1c(Cn2cc(C(C)(C)N)nn2)cccc1[N+](=O)[O-] ZINC000070118270 361605236 /nfs/dbraw/zinc/60/52/36/361605236.db2.gz BMAZCTJTIPYVRQ-UHFFFAOYSA-N 0 3 275.312 1.737 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C(=O)N(C)C)C1 ZINC000414503878 241234572 /nfs/dbraw/zinc/23/45/72/241234572.db2.gz XHBXYBZBVPSDAA-ZDUSSCGKSA-N 0 3 291.351 1.813 10 5 CDBEHN O=[N+]([O-])c1ccc2nc(OC[C@H]3CCCC[NH2+]3)[n-]c2c1 ZINC000094772361 367011959 /nfs/dbraw/zinc/01/19/59/367011959.db2.gz ZXVDICVEAHHOGH-SECBINFHSA-N 0 3 276.296 1.992 10 5 CDBEHN CN(C[C@H]1CCCN1C)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000420644942 244309592 /nfs/dbraw/zinc/30/95/92/244309592.db2.gz ZEWMGPRRQTYFEE-SNVBAGLBSA-N 0 3 290.327 1.168 10 5 CDBEHN C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cn2)CCN1C ZINC000266192519 373977149 /nfs/dbraw/zinc/97/71/49/373977149.db2.gz BWBASXVIGBZJGR-GHMZBOCLSA-N 0 3 264.329 1.909 10 5 CDBEHN C[C@H]1NC(=O)CC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000282361521 375082357 /nfs/dbraw/zinc/08/23/57/375082357.db2.gz NJCXVRTUAQGZLM-BXKDBHETSA-N 0 3 263.297 1.352 10 5 CDBEHN CC(C)[C@](C)(CO)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000352870773 375548446 /nfs/dbraw/zinc/54/84/46/375548446.db2.gz LQGJPNLNMXAPRF-AWEZNQCLSA-N 0 3 295.339 1.190 10 5 CDBEHN CC(C)(N)c1ncc([N+](=O)[O-])cc1Br ZINC000306208961 377586358 /nfs/dbraw/zinc/58/63/58/377586358.db2.gz SGIDMVYVTKZKRR-UHFFFAOYSA-N 0 3 260.091 1.946 10 5 CDBEHN Cc1sc(C(=O)N(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000267102572 190304178 /nfs/dbraw/zinc/30/41/78/190304178.db2.gz LDRRVJUFCLQJAS-UHFFFAOYSA-N 0 3 271.342 1.598 10 5 CDBEHN CCN[C@H](C)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942053 177905334 /nfs/dbraw/zinc/90/53/34/177905334.db2.gz MKQBJKVUJNDSPF-SECBINFHSA-N 0 3 272.326 1.367 10 5 CDBEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000246898853 390189517 /nfs/dbraw/zinc/18/95/17/390189517.db2.gz HHWJOKZRLIJOBR-QWRGUYRKSA-N 0 3 293.323 1.887 10 5 CDBEHN CNC(=O)[C@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000420968166 392922585 /nfs/dbraw/zinc/92/25/85/392922585.db2.gz BJZCTFICXFEDRR-JQWIXIFHSA-N 0 3 277.324 1.724 10 5 CDBEHN C[C@H](CN1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532388420 393073423 /nfs/dbraw/zinc/07/34/23/393073423.db2.gz PXIMWBJEFHLWAP-LLVKDONJSA-N 0 3 292.339 1.594 10 5 CDBEHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCCN2C)c1 ZINC000227952096 140187861 /nfs/dbraw/zinc/18/78/61/140187861.db2.gz SJUALEKDNVJQSP-LLVKDONJSA-N 0 3 293.323 1.888 10 5 CDBEHN CN(C)CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362364761 159131991 /nfs/dbraw/zinc/13/19/91/159131991.db2.gz KBAPGLQPAIAFDI-UHFFFAOYSA-N 0 3 287.266 1.093 10 5 CDBEHN C[C@H](NCCOCCO)c1ccccc1[N+](=O)[O-] ZINC000020526273 171239537 /nfs/dbraw/zinc/23/95/37/171239537.db2.gz GFSHQXDZUFADAY-JTQLQIEISA-N 0 3 254.286 1.254 10 5 CDBEHN CC(C)NCC(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000037386088 173168785 /nfs/dbraw/zinc/16/87/85/173168785.db2.gz SHZABEXUHSKECQ-UHFFFAOYSA-N 0 3 255.249 1.670 10 5 CDBEHN CC[C@@H](C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000037485974 173229180 /nfs/dbraw/zinc/22/91/80/173229180.db2.gz YHOIEHLBQBWZTN-SECBINFHSA-N 0 3 281.312 1.930 10 5 CDBEHN CCN1CCC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000040503120 174299656 /nfs/dbraw/zinc/29/96/56/174299656.db2.gz BYUIZWGUEUAHOD-SNVBAGLBSA-N 0 3 250.302 1.886 10 5 CDBEHN CN1CCC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CC(=O)N3)C1 ZINC000040673370 174372484 /nfs/dbraw/zinc/37/24/84/174372484.db2.gz XSWIKZVKCGLTJD-SNVBAGLBSA-N 0 3 290.323 1.596 10 5 CDBEHN CC(C)(N)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000040921609 174434104 /nfs/dbraw/zinc/43/41/04/174434104.db2.gz DDKGXHWDCAADNX-UHFFFAOYSA-N 0 3 257.677 1.924 10 5 CDBEHN O=[N+]([O-])c1ccnc(NCCN2CCCCC2)c1 ZINC000043568281 175067547 /nfs/dbraw/zinc/06/75/47/175067547.db2.gz DPPZEYHJLNZOFM-UHFFFAOYSA-N 0 3 250.302 1.888 10 5 CDBEHN CCN1CCC[C@@H](Nc2cc([N+](=O)[O-])ccn2)C1 ZINC000043567961 175067574 /nfs/dbraw/zinc/06/75/74/175067574.db2.gz OGCNEVXJWRARAD-SNVBAGLBSA-N 0 3 250.302 1.886 10 5 CDBEHN CCN[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1=O ZINC000071036994 176025716 /nfs/dbraw/zinc/02/57/16/176025716.db2.gz ORPCOURYDNGIPW-JTQLQIEISA-N 0 3 267.260 1.449 10 5 CDBEHN O=C1[C@H](NC2CC2)CCN1c1cc([N+](=O)[O-])ccc1F ZINC000071040003 176027071 /nfs/dbraw/zinc/02/70/71/176027071.db2.gz OGRPAJNPIHEEJB-LLVKDONJSA-N 0 3 279.271 1.591 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1N1CC[C@@H](NC(C)C)C1=O ZINC000071038638 176027268 /nfs/dbraw/zinc/02/72/68/176027268.db2.gz UXBBKURNOCCXBR-LLVKDONJSA-N 0 3 293.323 1.707 10 5 CDBEHN CN(C[C@@H]1CCN(C)C1)C(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000071189348 176064773 /nfs/dbraw/zinc/06/47/73/176064773.db2.gz LRQPTVAMRWMPIH-SNVBAGLBSA-N 0 3 295.314 1.758 10 5 CDBEHN CN[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000055421321 260220464 /nfs/dbraw/zinc/22/04/64/260220464.db2.gz VVRQVVYIOBNDQC-ZCFIWIBFSA-N 0 3 257.677 1.795 10 5 CDBEHN CC1(C)COC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000313073298 260243536 /nfs/dbraw/zinc/24/35/36/260243536.db2.gz YOBSSPPDGRWYKC-CYBMUJFWSA-N 0 3 280.324 1.988 10 5 CDBEHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC(N(C)C)C2)c1 ZINC000302152777 274003963 /nfs/dbraw/zinc/00/39/63/274003963.db2.gz IDDGBRWFBRULFB-UHFFFAOYSA-N 0 3 279.296 1.132 10 5 CDBEHN O=[N+]([O-])c1ccc2nc([S@](=O)[C@H]3CCC[NH2+]C3)[n-]c2c1 ZINC000095092113 280370051 /nfs/dbraw/zinc/37/00/51/280370051.db2.gz CKDQBJNQLSGPEB-LXGOIASLSA-N 0 3 294.336 1.331 10 5 CDBEHN O=[N+]([O-])c1ccc2[n-]c([S@](=O)[C@H]3CCC[NH2+]C3)nc2c1 ZINC000095092113 280370054 /nfs/dbraw/zinc/37/00/54/280370054.db2.gz CKDQBJNQLSGPEB-LXGOIASLSA-N 0 3 294.336 1.331 10 5 CDBEHN COc1ccc(CNCCc2cn(C)cn2)cc1[N+](=O)[O-] ZINC000313308808 280624024 /nfs/dbraw/zinc/62/40/24/280624024.db2.gz VANXRTSZUAHZAP-UHFFFAOYSA-N 0 3 290.323 1.669 10 5 CDBEHN C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)CCN1C ZINC000525029525 281115180 /nfs/dbraw/zinc/11/51/80/281115180.db2.gz HEPLYJAIFZNUNL-QWRGUYRKSA-N 0 3 294.355 1.488 10 5 CDBEHN CC(C)N[C@H](CCOc1ccc([N+](=O)[O-])c(F)c1)C(N)=O ZINC000062542209 519738372 /nfs/dbraw/zinc/73/83/72/519738372.db2.gz RSEQVANHCCJHDO-LLVKDONJSA-N 0 3 299.302 1.355 10 5 CDBEHN COCC[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000052792104 521828715 /nfs/dbraw/zinc/82/87/15/521828715.db2.gz OBZXFNYEJCNVDJ-SECBINFHSA-N 0 3 287.703 1.551 10 5 CDBEHN CNCc1ccc(OC[C@@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000068876017 522122617 /nfs/dbraw/zinc/12/26/17/522122617.db2.gz GOIIUMVOBIZDBL-SNVBAGLBSA-N 0 3 294.229 1.616 10 5 CDBEHN C[C@@H]1CNC[C@H](C)N1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000069133067 525099738 /nfs/dbraw/zinc/09/97/38/525099738.db2.gz HECBMNQWFZLERL-GRPTYIHUSA-N 0 3 289.335 1.817 10 5 CDBEHN C[C@@](N)(CCOc1ccc([N+](=O)[O-])c(Cl)c1)C(N)=O ZINC000050471896 525749401 /nfs/dbraw/zinc/74/94/01/525749401.db2.gz UXIQONNQYXQFSI-LLVKDONJSA-N 0 3 287.703 1.220 10 5 CDBEHN CC(COC(=O)[C@@H](C)OCc1ccccc1)[N+](=O)[O-] ZINC000813102179 617342085 /nfs/dbraw/zinc/34/20/85/617342085.db2.gz ORYCSTFZDGNEFQ-GHMZBOCLSA-N 0 3 267.281 1.800 10 5 CDBEHN O=[N+]([O-])c1ccc(F)cc1CN[C@H](CO)C1CCC1 ZINC000717596815 695698050 /nfs/dbraw/zinc/69/80/50/695698050.db2.gz ZGTRBGLSHBTVHN-GFCCVEGCSA-N 0 3 268.288 1.985 10 5 CDBEHN CC(COC(=O)c1ccc(Br)o1)[N+](=O)[O-] ZINC000813111709 695748636 /nfs/dbraw/zinc/74/86/36/695748636.db2.gz WFQXFBFIIOLJHD-RXMQYKEDSA-N 0 3 278.058 1.864 10 5 CDBEHN C/C(=C/c1ccccn1)C(=O)OCC(C)[N+](=O)[O-] ZINC000847713834 695896154 /nfs/dbraw/zinc/89/61/54/695896154.db2.gz CXWCUWPOJMFZPL-UJICNMFASA-N 0 3 250.254 1.693 10 5 CDBEHN CN(C)Cc1cc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1F ZINC000839683235 695961967 /nfs/dbraw/zinc/96/19/67/695961967.db2.gz MFWTVVIOYVXUGB-DGCLKSJQSA-N 0 3 295.314 1.169 10 5 CDBEHN C[C@H](NC[C@@H](O)CC(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC000872209312 696093390 /nfs/dbraw/zinc/09/33/90/696093390.db2.gz ODZISSRCFPHORZ-GWCFXTLKSA-N 0 3 282.340 1.767 10 5 CDBEHN CC(COC(=O)COc1ccc2c(c1)CCC2)[N+](=O)[O-] ZINC000813110102 1163816483 /nfs/dbraw/zinc/81/64/83/1163816483.db2.gz SLHLHDYGDDPVDI-JTQLQIEISA-N 0 3 279.292 1.763 10 5 CDBEHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)C(C)(C)O ZINC001653400132 1171541172 /nfs/dbraw/zinc/54/11/72/1171541172.db2.gz MKPZQNGDVFIRFE-ZDUSSCGKSA-N 0 3 282.340 1.201 10 5 CDBEHN CCn1c(C)cc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813107391 725350001 /nfs/dbraw/zinc/35/00/01/725350001.db2.gz PVPDOGSFPPRHGS-VIFPVBQESA-N 0 3 254.286 1.947 10 5 CDBEHN CCN(CC(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813112059 724432980 /nfs/dbraw/zinc/43/29/80/724432980.db2.gz MVFZPJFLTMRBPU-NSHDSACASA-N 0 3 266.297 1.721 10 5 CDBEHN CC(COC(=O)c1noc2c1CCCCC2)[N+](=O)[O-] ZINC000813108856 723716286 /nfs/dbraw/zinc/71/62/86/723716286.db2.gz MGLGYLKVRAXACN-QMMMGPOBSA-N 0 3 268.269 1.766 10 5 CDBEHN CC(COC(=O)Cc1ccc([S@](C)=O)cc1)[N+](=O)[O-] ZINC000813113366 723823524 /nfs/dbraw/zinc/82/35/24/723823524.db2.gz ZNMCOCMHZZMPLC-UGZDLDLSSA-N 0 3 285.321 1.175 10 5 CDBEHN COc1nc(C)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103245 723989041 /nfs/dbraw/zinc/98/90/41/723989041.db2.gz BCWKPAIDUVKMPH-QMMMGPOBSA-N 0 3 254.242 1.221 10 5 CDBEHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC000813109464 725597073 /nfs/dbraw/zinc/59/70/73/725597073.db2.gz UAYGPUXQWSVMDA-NXEZZACHSA-N 0 3 281.312 1.985 10 5 CDBEHN CCn1cc(C(=O)OCC(C)[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000813114117 724524237 /nfs/dbraw/zinc/52/42/37/724524237.db2.gz MJOYJNVOBRUHKL-ZCFIWIBFSA-N 0 3 295.217 1.744 10 5 CDBEHN NC(=O)C1CC(NCc2csc([N+](=O)[O-])c2)C1 ZINC000716698334 725046686 /nfs/dbraw/zinc/04/66/86/725046686.db2.gz KCIJVSDMPUTBBN-UHFFFAOYSA-N 0 3 255.299 1.010 10 5 CDBEHN C[C@H]1[C@H](Nc2nc3sccn3c2[N+](=O)[O-])CCN1C ZINC000719628397 725309147 /nfs/dbraw/zinc/30/91/47/725309147.db2.gz YRRDBVZVYVOCTM-JGVFFNPUSA-N 0 3 281.341 1.809 10 5 CDBEHN COC(=O)COc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813107845 725413827 /nfs/dbraw/zinc/41/38/27/725413827.db2.gz XWFRTLPNKNOCMJ-SECBINFHSA-N 0 3 297.263 1.060 10 5 CDBEHN CN(CC1CN(C)C1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000853556201 725435147 /nfs/dbraw/zinc/43/51/47/725435147.db2.gz ZJOWODOUTKTOPM-UHFFFAOYSA-N 0 3 289.339 1.395 10 5 CDBEHN CC(COC(=O)c1nc2c(s1)CCC2)[N+](=O)[O-] ZINC000842363286 725596244 /nfs/dbraw/zinc/59/62/44/725596244.db2.gz FBBFTEXDLVVEDN-ZCFIWIBFSA-N 0 3 256.283 1.454 10 5 CDBEHN CO[C@](C)(C(=O)OCC(C)[N+](=O)[O-])c1ccccc1F ZINC000813113353 725986202 /nfs/dbraw/zinc/98/62/02/725986202.db2.gz ZDWPSOSMAPZQCE-ZANVPECISA-N 0 3 285.271 1.896 10 5 CDBEHN CC(=O)N(C)CCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001484729264 916096679 /nfs/dbraw/zinc/09/66/79/916096679.db2.gz IUDIEYYTVJEXDY-UHFFFAOYSA-N 0 3 279.340 1.895 10 5 CDBEHN O=[N+]([O-])c1cc(Cl)cnc1N1CC(N[C@@H]2CCOC2)C1 ZINC001187740010 920641908 /nfs/dbraw/zinc/64/19/08/920641908.db2.gz SZVRLHJOENMOLS-SECBINFHSA-N 0 3 298.730 1.210 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3F)[C@H]2C1 ZINC000854600549 928243500 /nfs/dbraw/zinc/24/35/00/928243500.db2.gz YATHIUUYJKZPGA-RNCFNFMXSA-N 0 3 293.298 1.510 10 5 CDBEHN CN(CCNC/C(Cl)=C/Cl)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001493545628 972079873 /nfs/dbraw/zinc/07/98/73/972079873.db2.gz OUPOJWAKPQMBQN-XOPPAYCJSA-N 0 3 296.154 1.019 10 5 CDBEHN COC(=O)CCCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001655318058 1171685189 /nfs/dbraw/zinc/68/51/89/1171685189.db2.gz PQVUUHKJUPGJAO-CQSZACIVSA-N 0 3 296.323 1.345 10 5 CDBEHN CN1CCc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2C1 ZINC000082807661 178310126 /nfs/dbraw/zinc/31/01/26/178310126.db2.gz SUQRDOOLWVRKGO-UHFFFAOYSA-N 0 3 258.281 1.973 10 5 CDBEHN C[C@@H](NCCc1cn(C)nn1)c1cccc([N+](=O)[O-])c1 ZINC000592392950 342690629 /nfs/dbraw/zinc/69/06/29/342690629.db2.gz KTRWQMJFIVMVJO-SNVBAGLBSA-N 0 3 275.312 1.617 10 5 CDBEHN CO[C@@](C)(CO)CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000594513881 342913014 /nfs/dbraw/zinc/91/30/14/342913014.db2.gz UJASEDYLCSCXAL-BXUZGUMPSA-N 0 3 282.340 1.951 10 5 CDBEHN O=[N+]([O-])c1cnccc1N[C@H]1CCCN2CCCC[C@H]12 ZINC000594597035 342923812 /nfs/dbraw/zinc/92/38/12/342923812.db2.gz CDGXUJPDCVDRBW-WCQYABFASA-N 0 3 276.340 1.841 10 5 CDBEHN C[C@H](NC[C@]1(O)CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000595424166 343056445 /nfs/dbraw/zinc/05/64/45/343056445.db2.gz OKXRSWSCDSIFEW-SMDDNHRTSA-N 0 3 280.324 1.787 10 5 CDBEHN COc1cc(CN[C@@H](CO)C2CCC2)ccc1[N+](=O)[O-] ZINC000595618617 343110975 /nfs/dbraw/zinc/11/09/75/343110975.db2.gz YVSNPMJEVKRWAC-LBPRGKRZSA-N 0 3 280.324 1.854 10 5 CDBEHN CCOc1cc(N(C)CC2CN(C)C2)ccc1[N+](=O)[O-] ZINC000596452842 343324626 /nfs/dbraw/zinc/32/46/26/343324626.db2.gz GWJONQRYMUENKP-UHFFFAOYSA-N 0 3 279.340 1.991 10 5 CDBEHN CCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CCN(CC)C1 ZINC000598043878 343704571 /nfs/dbraw/zinc/70/45/71/343704571.db2.gz WXIFTZZJPNZHAK-LLVKDONJSA-N 0 3 294.355 1.490 10 5 CDBEHN CN1CCOC[C@@H]1CNCc1cccc([N+](=O)[O-])c1 ZINC000599004676 343937797 /nfs/dbraw/zinc/93/77/97/343937797.db2.gz XBCNIGGMGDAEHH-ZDUSSCGKSA-N 0 3 265.313 1.015 10 5 CDBEHN CC1(C)OCC[C@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000295147967 199371588 /nfs/dbraw/zinc/37/15/88/199371588.db2.gz CVZRTQLUNNVVGH-CHWSQXEVSA-N 0 3 280.324 1.785 10 5 CDBEHN CN(c1ccc([N+](=O)[O-])nc1)[C@@H]1CCN(C2CC2)C1 ZINC000344419365 362765954 /nfs/dbraw/zinc/76/59/54/362765954.db2.gz MWHJEVYDSLJBNE-GFCCVEGCSA-N 0 3 262.313 1.663 10 5 CDBEHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCCC[C@@H]2O)o1 ZINC000085963286 179204635 /nfs/dbraw/zinc/20/46/35/179204635.db2.gz HKIODWRGVLOODI-ONGXEEELSA-N 0 3 254.286 1.829 10 5 CDBEHN C[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)[C@H](C)CO ZINC000167106015 362978950 /nfs/dbraw/zinc/97/89/50/362978950.db2.gz XIWLLXAVVPAPCB-RKDXNWHRSA-N 0 3 256.277 1.840 10 5 CDBEHN O=[N+]([O-])c1cc(CN2CCN3CCC[C@H]3C2)cs1 ZINC000247147992 356678912 /nfs/dbraw/zinc/67/89/12/356678912.db2.gz LIYQAZWQGNABFE-NSHDSACASA-N 0 3 267.354 1.936 10 5 CDBEHN COC[C@@](C)(CCO)NCc1cccc([N+](=O)[O-])c1 ZINC000175855743 357416345 /nfs/dbraw/zinc/41/63/45/357416345.db2.gz ZBQZLMSTGMZWJY-CYBMUJFWSA-N 0 3 268.313 1.472 10 5 CDBEHN CO[C@H](C)[C@@H](C)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000341472665 357463961 /nfs/dbraw/zinc/46/39/61/357463961.db2.gz CZHLPLSHCPCMKH-GMTAPVOTSA-N 0 3 295.339 1.935 10 5 CDBEHN CN(CCOc1cccc([N+](=O)[O-])c1)CC1(CO)CC1 ZINC000186790557 357691493 /nfs/dbraw/zinc/69/14/93/357691493.db2.gz DXODTZZVZPNLPN-UHFFFAOYSA-N 0 3 280.324 1.678 10 5 CDBEHN CC(C)N1CC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000049281865 359267244 /nfs/dbraw/zinc/26/72/44/359267244.db2.gz ZRFSXNDFCCTXMT-JTQLQIEISA-N 0 3 250.302 1.884 10 5 CDBEHN CNC(=O)CCN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000046503387 360076434 /nfs/dbraw/zinc/07/64/34/360076434.db2.gz MLAUUTBKASYULH-JTQLQIEISA-N 0 3 265.313 1.724 10 5 CDBEHN C[C@H]1CC[C@H](C)N(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174882327 364588253 /nfs/dbraw/zinc/58/82/53/364588253.db2.gz ZXHUAWLAMYCKAF-QWRGUYRKSA-N 0 3 252.318 1.912 10 5 CDBEHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cncc(F)c1 ZINC000090537893 367572353 /nfs/dbraw/zinc/57/23/53/367572353.db2.gz QTYXJOHXDADFRQ-SECBINFHSA-N 0 3 279.275 1.676 10 5 CDBEHN CN(C)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000170863630 369978160 /nfs/dbraw/zinc/97/81/60/369978160.db2.gz WSOBMKSZMVRIKW-GFCCVEGCSA-N 0 3 263.297 1.371 10 5 CDBEHN C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3o2)CCN1 ZINC000094357268 374830900 /nfs/dbraw/zinc/83/09/00/374830900.db2.gz MZYZSCYXGAXDMI-QMMMGPOBSA-N 0 3 262.269 1.534 10 5 CDBEHN O=[N+]([O-])c1ccc(CCN2CCN(C3CC3)CC2)cc1 ZINC000299364645 375166004 /nfs/dbraw/zinc/16/60/04/375166004.db2.gz WUMWPAODHFOSEM-UHFFFAOYSA-N 0 3 275.352 1.917 10 5 CDBEHN CO[C@H]1C[C@@H](CO)N(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000344716245 375300762 /nfs/dbraw/zinc/30/07/62/375300762.db2.gz OCVPGEJPNDKRHL-KBPBESRZSA-N 0 3 280.324 1.219 10 5 CDBEHN Cc1cc(C(=O)NC[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000049096378 375401693 /nfs/dbraw/zinc/40/16/93/375401693.db2.gz RYDJJGAOGROMDM-LBPRGKRZSA-N 0 3 277.324 1.727 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CCC[C@@]3(CCCOC3)C2)n1 ZINC000357927189 375941448 /nfs/dbraw/zinc/94/14/48/375941448.db2.gz JCACNKRNZATQQF-CQSZACIVSA-N 0 3 294.355 1.684 10 5 CDBEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286008771 393039747 /nfs/dbraw/zinc/03/97/47/393039747.db2.gz HZARCFASCHABQY-NXEZZACHSA-N 0 3 293.327 1.017 10 5 CDBEHN CC(C)N1C[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)C1 ZINC000155823833 393150387 /nfs/dbraw/zinc/15/03/87/393150387.db2.gz KIYHMXWVJWABMC-UWVGGRQHSA-N 0 3 281.312 1.646 10 5 CDBEHN Cn1cnc([N+](=O)[O-])c1NCc1ccc2c(c1)CNC2 ZINC000097829670 147126061 /nfs/dbraw/zinc/12/60/61/147126061.db2.gz OFFJAIIZUXCUGZ-UHFFFAOYSA-N 0 3 273.296 1.544 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN[C@H](C)[C@H]1C ZINC000262772031 149112814 /nfs/dbraw/zinc/11/28/14/149112814.db2.gz KALZOWBWXSZPQO-PSASIEDQSA-N 0 3 278.312 1.121 10 5 CDBEHN CO[C@H]1CN[C@H](C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000040632960 174359618 /nfs/dbraw/zinc/35/96/18/174359618.db2.gz WSURDUISUBWLRA-SCZZXKLOSA-N 0 3 299.714 1.564 10 5 CDBEHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N(C)C2CC2)n1 ZINC000191799261 227174435 /nfs/dbraw/zinc/17/44/35/227174435.db2.gz CROWYNZXHCRFOJ-SECBINFHSA-N 0 3 295.343 1.024 10 5 CDBEHN CCN1CC[C@@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)[C@H](C)C1 ZINC000266231415 270313366 /nfs/dbraw/zinc/31/33/66/270313366.db2.gz JSHAVPIAZUBGQL-NXEZZACHSA-N 0 3 294.359 1.134 10 5 CDBEHN CN(C)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000122800405 273817860 /nfs/dbraw/zinc/81/78/60/273817860.db2.gz GFECYPFOHWHJCG-QMMMGPOBSA-N 0 3 270.720 1.784 10 5 CDBEHN COc1cc(C(=O)N2CC[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000170863762 277797923 /nfs/dbraw/zinc/79/79/23/277797923.db2.gz DGLGRGWPPXZCQQ-NSHDSACASA-N 0 3 293.323 1.380 10 5 CDBEHN C[C@H](N[C@H]1CCC(=O)N(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000084063332 279532036 /nfs/dbraw/zinc/53/20/36/279532036.db2.gz RBDXIBJWSYZWFC-JQWIXIFHSA-N 0 3 277.324 1.866 10 5 CDBEHN O=C1CCCN1CCCNCc1ccc([N+](=O)[O-])cc1 ZINC000013727778 280251070 /nfs/dbraw/zinc/25/10/70/280251070.db2.gz QKLJJQADNFMJBX-UHFFFAOYSA-N 0 3 277.324 1.697 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(N2CCN3CCC[C@H]3C2)n1 ZINC000246892786 281012807 /nfs/dbraw/zinc/01/28/07/281012807.db2.gz DUZKIRMUNGDJKP-NSHDSACASA-N 0 3 262.313 1.583 10 5 CDBEHN CC(C)NCc1ccc([N+](=O)[O-])c(OC[C@H](C)O)c1 ZINC000050517159 519727209 /nfs/dbraw/zinc/72/72/09/519727209.db2.gz WUGLPIMQMSZCJA-JTQLQIEISA-N 0 3 268.313 1.852 10 5 CDBEHN CCN[C@H](CCOc1cc([N+](=O)[O-])ccc1C)C(N)=O ZINC000062540583 520190693 /nfs/dbraw/zinc/19/06/93/520190693.db2.gz BSAGIEWYOSVTJR-LLVKDONJSA-N 0 3 281.312 1.136 10 5 CDBEHN CC(C)CNCc1nnnn1-c1cccc([N+](=O)[O-])c1 ZINC000054744720 519748736 /nfs/dbraw/zinc/74/87/36/519748736.db2.gz GQDHXFAIYCXWLW-UHFFFAOYSA-N 0 3 276.300 1.316 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(O[C@@H]2CCCCNC2=O)c1 ZINC000050516872 522125157 /nfs/dbraw/zinc/12/51/57/522125157.db2.gz FSHVGTGTGLVFDU-GFCCVEGCSA-N 0 3 293.323 1.362 10 5 CDBEHN CNc1cc(C(=O)NCCN(C)C)c([N+](=O)[O-])cc1F ZINC000050725922 522554090 /nfs/dbraw/zinc/55/40/90/522554090.db2.gz XNONSGXXBMGQDK-UHFFFAOYSA-N 0 3 284.291 1.067 10 5 CDBEHN C[C@@H]1CNC[C@@H](C)N1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000069133288 525094842 /nfs/dbraw/zinc/09/48/42/525094842.db2.gz OJSZWJXDVUJESO-BYAJROORSA-N 0 3 289.335 1.817 10 5 CDBEHN NCc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[C@@H]2O)c1 ZINC000050516316 527259131 /nfs/dbraw/zinc/25/91/31/527259131.db2.gz NSDCBJOVMWJVEH-WDEREUQCSA-N 0 3 252.270 1.346 10 5 CDBEHN Cc1noc(C)c1[C@@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813102244 617342209 /nfs/dbraw/zinc/34/22/09/617342209.db2.gz CKSCHDITKWWVOP-YUMQZZPRSA-N 0 3 270.285 1.993 10 5 CDBEHN COC(=O)[C@@H]1CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813109998 617345736 /nfs/dbraw/zinc/34/57/36/617345736.db2.gz YIDPCJKAXRZHAM-BBBLOLIVSA-N 0 3 273.285 1.174 10 5 CDBEHN COc1cccc(CO[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813110707 617346048 /nfs/dbraw/zinc/34/60/48/617346048.db2.gz HYZQZKHTFCASMG-QWRGUYRKSA-N 0 3 297.307 1.809 10 5 CDBEHN Cc1ncc(/C=C/C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813111536 617346306 /nfs/dbraw/zinc/34/63/06/617346306.db2.gz IRBSZJUSUKVYPW-KGGZQZJCSA-N 0 3 256.283 1.673 10 5 CDBEHN CC(COC(=O)Cc1cccc2cccnc21)[N+](=O)[O-] ZINC000813112163 617346745 /nfs/dbraw/zinc/34/67/45/617346745.db2.gz CUFNRXYHHNGLLD-SNVBAGLBSA-N 0 3 274.276 1.986 10 5 CDBEHN CN(C)C1(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)CCCC1 ZINC001651836971 1171366614 /nfs/dbraw/zinc/36/66/14/1171366614.db2.gz OKAGWYLLZXIBLY-UHFFFAOYSA-N 0 3 267.289 1.131 10 5 CDBEHN O=[N+]([O-])c1cc(Cl)ccc1N1CC(N[C@H]2CCOC2)C1 ZINC001652275278 1171418693 /nfs/dbraw/zinc/41/86/93/1171418693.db2.gz POTUGVJTPBDGBR-JTQLQIEISA-N 0 3 297.742 1.815 10 5 CDBEHN CCO[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813115666 1163817996 /nfs/dbraw/zinc/81/79/96/1163817996.db2.gz XHTDFNPWLYTTIN-ZYHUDNBSSA-N 0 3 267.281 1.973 10 5 CDBEHN CC(COC(=O)[C@H]1COc2ccccc2C1)[N+](=O)[O-] ZINC000813108103 726402664 /nfs/dbraw/zinc/40/26/64/726402664.db2.gz AGMCBLSXQVOAMV-GXSJLCMTSA-N 0 3 265.265 1.446 10 5 CDBEHN O=[N+]([O-])c1ccc(CNCC[C@@H]2CCCS2(=O)=O)cc1 ZINC000714356113 727208882 /nfs/dbraw/zinc/20/88/82/727208882.db2.gz HXAXAESPDUBIHT-ZDUSSCGKSA-N 0 3 298.364 1.652 10 5 CDBEHN CO[C@@](C)(CO)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848556326 727447022 /nfs/dbraw/zinc/44/70/22/727447022.db2.gz UQOURVALZLQVBL-NOZJJQNGSA-N 0 3 283.328 1.225 10 5 CDBEHN COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000227748276 728373137 /nfs/dbraw/zinc/37/31/37/728373137.db2.gz DJABZBXMZMYFME-GXFFZTMASA-N 0 3 278.308 1.836 10 5 CDBEHN C[C@@H](NC[C@@H]1CNC(=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872079378 1165378993 /nfs/dbraw/zinc/37/89/93/1165378993.db2.gz MJHTYZSNSVSODT-RKDXNWHRSA-N 0 3 281.287 1.521 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCCC[C@@H]2[C@@H]2CCCO2)c1 ZINC001198686029 925500627 /nfs/dbraw/zinc/50/06/27/925500627.db2.gz PZTVAGWEAWOIQO-KGLIPLIRSA-N 0 3 294.355 1.825 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCC23CCOCC3)c1 ZINC000618318117 349436246 /nfs/dbraw/zinc/43/62/46/349436246.db2.gz BAYVFXMAAARDJE-UHFFFAOYSA-N 0 3 266.301 1.046 10 5 CDBEHN Cc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000590044719 342520764 /nfs/dbraw/zinc/52/07/64/342520764.db2.gz MGZNSCMUHYWWCN-RISCZKNCSA-N 0 3 289.335 1.679 10 5 CDBEHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000590446434 342546817 /nfs/dbraw/zinc/54/68/17/342546817.db2.gz VFTVNBCAWCRZHI-GWCFXTLKSA-N 0 3 275.308 1.371 10 5 CDBEHN CC[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599178921 343982781 /nfs/dbraw/zinc/98/27/81/343982781.db2.gz NNOGSJWOOPTYKN-DTWKUNHWSA-N 0 3 266.301 1.272 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000108329764 349735468 /nfs/dbraw/zinc/73/54/68/349735468.db2.gz ZTQZBZRMNZWHEU-NSHDSACASA-N 0 3 292.339 1.370 10 5 CDBEHN C[C@@H]1[C@H](O)CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000294980066 199281556 /nfs/dbraw/zinc/28/15/56/199281556.db2.gz JQUVCFXDSDRRSQ-ZWNOBZJWSA-N 0 3 250.298 1.940 10 5 CDBEHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000595781394 343154151 /nfs/dbraw/zinc/15/41/51/343154151.db2.gz RUBHZMJEDRHDEW-MNOVXSKESA-N 0 3 268.317 1.291 10 5 CDBEHN Cc1ccc(CN(C)CCN(C)CCO)cc1[N+](=O)[O-] ZINC000598919370 343926596 /nfs/dbraw/zinc/92/65/96/343926596.db2.gz MQPKFERUDIAIEK-UHFFFAOYSA-N 0 3 281.356 1.259 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1C[C@H](C(N)=O)C1 ZINC000599071335 343948923 /nfs/dbraw/zinc/94/89/23/343948923.db2.gz VCNKSSISJLXCLG-GUBZILKMSA-N 0 3 293.323 1.518 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@@H]2CCCS(=O)(=O)CC2)cc1 ZINC000602006251 344320008 /nfs/dbraw/zinc/32/00/08/344320008.db2.gz RJNKYMHBVCXCEG-GFCCVEGCSA-N 0 3 298.364 1.652 10 5 CDBEHN CCN1CC[C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000389453650 362466312 /nfs/dbraw/zinc/46/63/12/362466312.db2.gz QVGGAOYALILABG-GFCCVEGCSA-N 0 3 279.340 1.787 10 5 CDBEHN C[C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](C)CN1 ZINC000086471377 345310963 /nfs/dbraw/zinc/31/09/63/345310963.db2.gz AZZCWIKAGVRQLU-UWVGGRQHSA-N 0 3 287.323 1.725 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](C(F)F)C2)n1 ZINC000611179811 346630702 /nfs/dbraw/zinc/63/07/02/346630702.db2.gz KMNFZBANSVHMOI-MRVPVSSYSA-N 0 3 260.244 1.378 10 5 CDBEHN C[C@@H](CO)[C@H](C)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000167094942 362977253 /nfs/dbraw/zinc/97/72/53/362977253.db2.gz VLPIHAQHLWIQKT-IUCAKERBSA-N 0 3 283.284 1.610 10 5 CDBEHN Cc1cc(OC[C@H]2CNCCO2)c(Cl)cc1[N+](=O)[O-] ZINC000312084598 350746256 /nfs/dbraw/zinc/74/62/56/350746256.db2.gz VRHQBNSCYNXLDA-SECBINFHSA-N 0 3 286.715 1.924 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@@H]2CCC[C@H](O)C2)cc1 ZINC000037163595 363530531 /nfs/dbraw/zinc/53/05/31/363530531.db2.gz FLBSGOBGILZAIB-YPMHNXCESA-N 0 3 250.298 1.988 10 5 CDBEHN COC[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000171972020 358239867 /nfs/dbraw/zinc/23/98/67/358239867.db2.gz JLEWGVGIBXEJFA-AWEZNQCLSA-N 0 3 282.340 1.813 10 5 CDBEHN C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)CCN1C ZINC000408227047 358448738 /nfs/dbraw/zinc/44/87/38/358448738.db2.gz QPXPTMHJFRCNLN-NXEZZACHSA-N 0 3 280.328 1.478 10 5 CDBEHN O=[N+]([O-])c1cc(CNC[C@H](CO)c2cccnc2)cs1 ZINC000342277071 358980356 /nfs/dbraw/zinc/98/03/56/358980356.db2.gz CCMVXILJQCKMBK-GFCCVEGCSA-N 0 3 293.348 1.917 10 5 CDBEHN CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CCN(C2CC2)C1 ZINC000347930851 359952558 /nfs/dbraw/zinc/95/25/58/359952558.db2.gz WKMLWZJTRZGYEE-SNVBAGLBSA-N 0 3 278.312 1.232 10 5 CDBEHN COC[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000181648371 189303125 /nfs/dbraw/zinc/30/31/25/189303125.db2.gz QHPSMXLBMJKFTR-AWEZNQCLSA-N 0 3 290.323 1.769 10 5 CDBEHN Nc1ccc(C(=O)N2CCN3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000110414343 365044886 /nfs/dbraw/zinc/04/48/86/365044886.db2.gz QWSWLZLZOWLEAF-NSHDSACASA-N 0 3 290.323 1.097 10 5 CDBEHN COC[C@@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000227712385 375596990 /nfs/dbraw/zinc/59/69/90/375596990.db2.gz ZYYFIIHFNCZKGS-GXFFZTMASA-N 0 3 268.313 1.907 10 5 CDBEHN CN(C)C[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000263910403 190084782 /nfs/dbraw/zinc/08/47/82/190084782.db2.gz JPBPUDPMWFBRTC-CYBMUJFWSA-N 0 3 277.324 1.761 10 5 CDBEHN CCc1ccc(C(=O)N2CC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000174182243 379392418 /nfs/dbraw/zinc/39/24/18/379392418.db2.gz BXPXMXHTWJDUGN-CYBMUJFWSA-N 0 3 291.351 1.933 10 5 CDBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](CO)C1 ZINC000266919995 190290858 /nfs/dbraw/zinc/29/08/58/190290858.db2.gz LPHYXYGFJLRAPX-QWRGUYRKSA-N 0 3 250.298 1.970 10 5 CDBEHN CC[C@@H](NC[C@@](C)(O)C(C)=O)c1cccc([N+](=O)[O-])c1 ZINC000450674193 251397881 /nfs/dbraw/zinc/39/78/81/251397881.db2.gz BFKBBMLLCPDYET-ZIAGYGMSSA-N 0 3 280.324 1.976 10 5 CDBEHN CN(CCCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000281587220 195299269 /nfs/dbraw/zinc/29/92/69/195299269.db2.gz FFUFXWXVXVILMY-UHFFFAOYSA-N 0 3 254.286 1.288 10 5 CDBEHN C[C@@H]1CCN(CC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000548905512 392515284 /nfs/dbraw/zinc/51/52/84/392515284.db2.gz UELTXYBQIHVWDD-GFCCVEGCSA-N 0 3 291.351 1.895 10 5 CDBEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285142003 393195966 /nfs/dbraw/zinc/19/59/66/393195966.db2.gz QVKYAPBFCBBCDC-VIFPVBQESA-N 0 3 283.332 1.024 10 5 CDBEHN CO[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1C ZINC000251653740 140309895 /nfs/dbraw/zinc/30/98/95/140309895.db2.gz HQSZOEQJNVXVCL-CMPLNLGQSA-N 0 3 268.317 1.148 10 5 CDBEHN NC(=O)C1CCC(NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000314232698 149252887 /nfs/dbraw/zinc/25/28/87/149252887.db2.gz WGANVVJRZACMTM-UHFFFAOYSA-N 0 3 295.314 1.868 10 5 CDBEHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC12CCC2 ZINC000373104736 160173269 /nfs/dbraw/zinc/17/32/69/160173269.db2.gz QYDLDGFJNIMYCS-UHFFFAOYSA-N 0 3 277.324 1.775 10 5 CDBEHN CO[C@@H]1C[C@@H](CO)N(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000284633175 196101188 /nfs/dbraw/zinc/10/11/88/196101188.db2.gz OCVPGEJPNDKRHL-UONOGXRCSA-N 0 3 280.324 1.219 10 5 CDBEHN CO[C@H]1CN[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040633260 174359589 /nfs/dbraw/zinc/35/95/89/174359589.db2.gz GMNQKHJXUFTQOU-KCJUWKMLSA-N 0 3 299.714 1.564 10 5 CDBEHN CCCN[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000071038954 176027381 /nfs/dbraw/zinc/02/73/81/176027381.db2.gz SFVVPVYWYXGIFM-LBPRGKRZSA-N 0 3 263.297 1.700 10 5 CDBEHN COC[C@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000071267192 176100503 /nfs/dbraw/zinc/10/05/03/176100503.db2.gz GUUYTTOLTDRZHB-NXEZZACHSA-N 0 3 254.286 1.253 10 5 CDBEHN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000183141176 279904822 /nfs/dbraw/zinc/90/48/22/279904822.db2.gz WAHZMESPCMNFHM-ZANVPECISA-N 0 3 293.323 1.351 10 5 CDBEHN CC(C)CNC(=O)COc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516600 519735072 /nfs/dbraw/zinc/73/50/72/519735072.db2.gz WMVBSJSNXDBRFB-UHFFFAOYSA-N 0 3 281.312 1.205 10 5 CDBEHN CCCNC(=O)COc1cc(CNC)ccc1[N+](=O)[O-] ZINC000050516865 519881089 /nfs/dbraw/zinc/88/10/89/519881089.db2.gz PMVOUVOMQKIDDO-UHFFFAOYSA-N 0 3 281.312 1.219 10 5 CDBEHN CCNc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)N(C)C)c1 ZINC000050779927 520327255 /nfs/dbraw/zinc/32/72/55/520327255.db2.gz XERRSRAUFBQRPP-JTQLQIEISA-N 0 3 294.355 1.707 10 5 CDBEHN CC1(C)NC(=O)CC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000338600950 520599122 /nfs/dbraw/zinc/59/91/22/520599122.db2.gz ZNFOQXMAJKHGOH-GFCCVEGCSA-N 0 3 277.324 1.742 10 5 CDBEHN CNC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000061316137 521940938 /nfs/dbraw/zinc/94/09/38/521940938.db2.gz GDPXKDLLAWIFRN-UHFFFAOYSA-N 0 3 251.286 1.840 10 5 CDBEHN COCC[C@H](N)C(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000052792077 521946393 /nfs/dbraw/zinc/94/63/93/521946393.db2.gz VTSAVTRDOVCASW-QMMMGPOBSA-N 0 3 271.248 1.036 10 5 CDBEHN Cc1c(O[C@H](C)C[C@@](C)(N)C(N)=O)cccc1[N+](=O)[O-] ZINC000068651270 525882846 /nfs/dbraw/zinc/88/28/46/525882846.db2.gz RPFDPIMMWFKUMU-AMIZOPFISA-N 0 3 281.312 1.263 10 5 CDBEHN NC(=O)[C@](N)(CSc1ccccc1[N+](=O)[O-])C1CC1 ZINC000069184541 527016566 /nfs/dbraw/zinc/01/65/66/527016566.db2.gz VQQYIYQUKMJVRQ-LBPRGKRZSA-N 0 3 281.337 1.280 10 5 CDBEHN O=[N+]([O-])c1ccc(N2CCN3CCC2CC3)c2nonc21 ZINC000364976068 527362330 /nfs/dbraw/zinc/36/23/30/527362330.db2.gz DCDLXPLKGGSSQZ-UHFFFAOYSA-N 0 3 289.295 1.415 10 5 CDBEHN Cc1nn(C)c(N[C@@H](CN(C)C)C(C)C)c1[N+](=O)[O-] ZINC000049218660 527679142 /nfs/dbraw/zinc/67/91/42/527679142.db2.gz QOWNSFJVSCNKAZ-JTQLQIEISA-N 0 3 269.349 1.635 10 5 CDBEHN C[C@H](NC1CCN(C=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000774271920 575193015 /nfs/dbraw/zinc/19/30/15/575193015.db2.gz MIXLYRGUXXZGJW-NSHDSACASA-N 0 3 277.324 1.866 10 5 CDBEHN CC(C)Oc1cncc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112653 617347087 /nfs/dbraw/zinc/34/70/87/617347087.db2.gz SJCNRWUEJWHNEY-SECBINFHSA-N 0 3 268.269 1.691 10 5 CDBEHN CCOc1ccccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107792 1163813804 /nfs/dbraw/zinc/81/38/04/1163813804.db2.gz WNDUZDYLCJZAMO-VIFPVBQESA-N 0 3 253.254 1.907 10 5 CDBEHN Cc1nn(CC(C)C)c(C)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813112512 728564794 /nfs/dbraw/zinc/56/47/94/728564794.db2.gz RMMFNICTNAONTF-JTQLQIEISA-N 0 3 297.355 1.907 10 5 CDBEHN CC(COC(=O)[C@H]1CCCN(CC(F)(F)F)C1)[N+](=O)[O-] ZINC000813112066 729107673 /nfs/dbraw/zinc/10/76/73/729107673.db2.gz ZEHRYECLXWEYAX-IUCAKERBSA-N 0 3 298.261 1.469 10 5 CDBEHN Cc1cc(C)c(COC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)n1 ZINC000869539129 729585519 /nfs/dbraw/zinc/58/55/19/729585519.db2.gz WOBIOANZXQWOCH-ZYHUDNBSSA-N 0 3 264.281 1.715 10 5 CDBEHN CC(COC(=O)c1scnc1C1CC1)[N+](=O)[O-] ZINC000813110252 729594782 /nfs/dbraw/zinc/59/47/82/729594782.db2.gz VRRZYEXNQHNEHP-ZCFIWIBFSA-N 0 3 256.283 1.843 10 5 CDBEHN COc1ccc(COCCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110782 729659863 /nfs/dbraw/zinc/65/98/63/729659863.db2.gz JETIZKAAWFWTMD-LLVKDONJSA-N 0 3 297.307 1.810 10 5 CDBEHN CC(COC(=O)c1cnn(C)c1C1CC1)[N+](=O)[O-] ZINC000813105951 729792465 /nfs/dbraw/zinc/79/24/65/729792465.db2.gz WGRBBMXIQOHUFQ-SSDOTTSWSA-N 0 3 253.258 1.120 10 5 CDBEHN COc1ccc(CCC(=O)OCC(C)[N+](=O)[O-])cc1F ZINC000813106746 729887468 /nfs/dbraw/zinc/88/74/68/729887468.db2.gz HHGSTURZZZMIKF-VIFPVBQESA-N 0 3 285.271 1.975 10 5 CDBEHN C[C@H]1[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000928458710 730049684 /nfs/dbraw/zinc/04/96/84/730049684.db2.gz XOKFSFPGAIVGEW-GXFFZTMASA-N 0 3 293.323 1.182 10 5 CDBEHN CC1(C)[C@@H](O)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000812867321 730343579 /nfs/dbraw/zinc/34/35/79/730343579.db2.gz KGKCOZFBBKZZMN-STQMWFEESA-N 0 3 280.324 1.473 10 5 CDBEHN CC(COC(=O)[C@@H](C)N1CCc2ccccc2C1)[N+](=O)[O-] ZINC000813105009 730383306 /nfs/dbraw/zinc/38/33/06/730383306.db2.gz JCIBNSKLSKTMTO-VXGBXAGGSA-N 0 3 292.335 1.642 10 5 CDBEHN Cc1c(CNC[C@@H](O)Cn2cccn2)cccc1[N+](=O)[O-] ZINC000231885628 341994883 /nfs/dbraw/zinc/99/48/83/341994883.db2.gz YHCGLJMXONTJOA-CYBMUJFWSA-N 0 3 290.323 1.250 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNCC[C@@]1(O)CCOC1 ZINC000593669846 342820835 /nfs/dbraw/zinc/82/08/35/342820835.db2.gz BJGIWPCUIWANCK-CQSZACIVSA-N 0 3 280.324 1.534 10 5 CDBEHN O=[N+]([O-])c1cccc2c1CCN(C[C@H]1CCOC1)C2 ZINC000534512380 282198395 /nfs/dbraw/zinc/19/83/95/282198395.db2.gz SZXZRVOJNFBJNW-LLVKDONJSA-N 0 3 262.309 1.989 10 5 CDBEHN Cc1cc(C(=O)N2CC[C@@H](F)[C@H](N)C2)ccc1[N+](=O)[O-] ZINC000595260539 343014340 /nfs/dbraw/zinc/01/43/40/343014340.db2.gz BUNOLUXJNMCUDL-GHMZBOCLSA-N 0 3 281.287 1.415 10 5 CDBEHN CN(CC1CN(C)C1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000596454242 343324805 /nfs/dbraw/zinc/32/48/05/343324805.db2.gz QWTGZZGECASPQY-UHFFFAOYSA-N 0 3 293.352 1.597 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC(C)(C)CN(C)C ZINC000457225662 365791126 /nfs/dbraw/zinc/79/11/26/365791126.db2.gz SWGODFHTLXYOGQ-UHFFFAOYSA-N 0 3 280.328 1.368 10 5 CDBEHN C[C@@H](N[C@H]1CCCNC(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000602582719 344476205 /nfs/dbraw/zinc/47/62/05/344476205.db2.gz NGPDGJMDTXIXOC-MNOVXSKESA-N 0 3 277.324 1.914 10 5 CDBEHN O=[N+]([O-])c1cccc(CNC2(CCO)CCOCC2)c1 ZINC000610771636 346403622 /nfs/dbraw/zinc/40/36/22/346403622.db2.gz LMTLQCQOAIUAHZ-UHFFFAOYSA-N 0 3 280.324 1.616 10 5 CDBEHN C[C@@H](O)CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000610860116 346467862 /nfs/dbraw/zinc/46/78/62/346467862.db2.gz TVPOGKJETUHYTH-SECBINFHSA-N 0 3 282.296 1.227 10 5 CDBEHN C[C@@H](CO)[C@H](C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000273964860 192381319 /nfs/dbraw/zinc/38/13/19/192381319.db2.gz GXESLZMPGJOFDA-UWVGGRQHSA-N 0 3 281.312 1.140 10 5 CDBEHN CCN1CC[C@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000389202547 356856735 /nfs/dbraw/zinc/85/67/35/356856735.db2.gz YZIPSEZHMPJODE-JTQLQIEISA-N 0 3 250.302 1.804 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)[C@@H](C)CO ZINC000450732226 358995212 /nfs/dbraw/zinc/99/52/12/358995212.db2.gz FJAUVWGZYLBCNB-WDEREUQCSA-N 0 3 295.339 1.448 10 5 CDBEHN O=[N+]([O-])c1ccccc1CNC[C@@H](CO)c1cccnc1 ZINC000342310471 358998866 /nfs/dbraw/zinc/99/88/66/358998866.db2.gz UTMOOBMRNWEQDK-AWEZNQCLSA-N 0 3 287.319 1.856 10 5 CDBEHN CCN(C)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000049320562 359278864 /nfs/dbraw/zinc/27/88/64/359278864.db2.gz UZOJEMRPCBMMJM-UHFFFAOYSA-N 0 3 268.273 1.867 10 5 CDBEHN Cc1c(CN[C@H]2CN(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000358311476 360949397 /nfs/dbraw/zinc/94/93/97/360949397.db2.gz PGUUYKVSZGWIKN-MFKMUULPSA-N 0 3 263.341 1.943 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000139516537 368623873 /nfs/dbraw/zinc/62/38/73/368623873.db2.gz LBDCBGFNPGWIRY-LBPRGKRZSA-N 0 3 292.339 1.488 10 5 CDBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[C@H](O)C1 ZINC000351820094 369264376 /nfs/dbraw/zinc/26/43/76/369264376.db2.gz NMWNFGHLOZOZSW-GBIKHYSHSA-N 0 3 250.298 1.968 10 5 CDBEHN O=[N+]([O-])c1cnc(NC2CC(N3CCCCC3)C2)nc1 ZINC000376012888 374532217 /nfs/dbraw/zinc/53/22/17/374532217.db2.gz FPKWPFDMMJEKRX-UHFFFAOYSA-N 0 3 277.328 1.814 10 5 CDBEHN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN2CCC[C@H]2C1 ZINC000049515914 375454238 /nfs/dbraw/zinc/45/42/38/375454238.db2.gz GZZNBVZLRITIRC-ZDUSSCGKSA-N 0 3 275.308 1.515 10 5 CDBEHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2CC)n1 ZINC000191759445 378134630 /nfs/dbraw/zinc/13/46/30/378134630.db2.gz DSAYWGWBJPRUPZ-SNVBAGLBSA-N 0 3 295.343 1.025 10 5 CDBEHN COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1F ZINC000268159469 190382257 /nfs/dbraw/zinc/38/22/57/190382257.db2.gz GZPHAMJVOGWLCJ-UHFFFAOYSA-N 0 3 271.292 1.740 10 5 CDBEHN C[C@H]1CN(CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000450469784 251299178 /nfs/dbraw/zinc/29/91/78/251299178.db2.gz RWGZJQFTCBKWCD-NSHDSACASA-N 0 3 294.355 1.271 10 5 CDBEHN O=[N+]([O-])c1ccccc1NC[C@@H]1CCCCN1CCO ZINC000450614470 251369454 /nfs/dbraw/zinc/36/94/54/251369454.db2.gz NHMCVUCPDSPGMM-LBPRGKRZSA-N 0 3 279.340 1.854 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1N1CCCN(CCO)CC1 ZINC000071349654 390486414 /nfs/dbraw/zinc/48/64/14/390486414.db2.gz WZACTULUXBPOBU-UHFFFAOYSA-N 0 3 279.340 1.408 10 5 CDBEHN C[C@H](CCNCc1cccc([N+](=O)[O-])c1)[S@@](C)=O ZINC000129439539 391232125 /nfs/dbraw/zinc/23/21/25/391232125.db2.gz WQOXNQKVANEWEV-MGNBDDOMSA-N 0 3 270.354 1.842 10 5 CDBEHN CN1CCN(CCNc2ccc([N+](=O)[O-])nc2)CC1(C)C ZINC000440654723 391437964 /nfs/dbraw/zinc/43/79/64/391437964.db2.gz TVTCRQRBOHJRQG-UHFFFAOYSA-N 0 3 293.371 1.428 10 5 CDBEHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ccccc1[N+](=O)[O-] ZINC000069772852 392000803 /nfs/dbraw/zinc/00/08/03/392000803.db2.gz VVTHBEQTLIRGBN-PWSUYJOCSA-N 0 3 277.324 1.681 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000195338928 140154085 /nfs/dbraw/zinc/15/40/85/140154085.db2.gz BRCTWVHMYXTYNR-ZDUSSCGKSA-N 0 3 289.335 1.823 10 5 CDBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000247017582 140285813 /nfs/dbraw/zinc/28/58/13/140285813.db2.gz GAHSIFHCTGMPHB-ONGXEEELSA-N 0 3 295.364 1.965 10 5 CDBEHN COc1cc(CN[C@H](CO)C(C)C)ccc1[N+](=O)[O-] ZINC000362195579 159095480 /nfs/dbraw/zinc/09/54/80/159095480.db2.gz VSCPLYZQBLFULI-LLVKDONJSA-N 0 3 268.313 1.710 10 5 CDBEHN C[C@H](NCCN1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000020526085 171238858 /nfs/dbraw/zinc/23/88/58/171238858.db2.gz HWAOLPQLSSRISK-LBPRGKRZSA-N 0 3 279.340 1.578 10 5 CDBEHN C[C@@H](NCCCN1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000020526220 171239496 /nfs/dbraw/zinc/23/94/96/171239496.db2.gz ACMBWEVIWKPOKK-CYBMUJFWSA-N 0 3 293.367 1.968 10 5 CDBEHN Cc1ccc(NC(=O)CNC(C)C)c([N+](=O)[O-])c1 ZINC000037386064 173168519 /nfs/dbraw/zinc/16/85/19/173168519.db2.gz RHFXEVXULGPREX-UHFFFAOYSA-N 0 3 251.286 1.840 10 5 CDBEHN O=C(NCCN1CCCC1)c1ccc(F)c([N+](=O)[O-])c1 ZINC000040429875 174259439 /nfs/dbraw/zinc/25/94/39/174259439.db2.gz WQAZZIMTYHIWNL-UHFFFAOYSA-N 0 3 281.287 1.560 10 5 CDBEHN CO[C@H]1CN[C@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000040630933 174358566 /nfs/dbraw/zinc/35/85/66/174358566.db2.gz AUVWLDAIVOFVNP-MNOVXSKESA-N 0 3 279.296 1.219 10 5 CDBEHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC1 ZINC000040676118 174373643 /nfs/dbraw/zinc/37/36/43/174373643.db2.gz AUUXTQJBLUJADJ-JTQLQIEISA-N 0 3 277.324 1.394 10 5 CDBEHN CN[C@](C)(C[C@@H](C)Oc1ccc([N+](=O)[O-])c(F)c1)C(N)=O ZINC000068652475 522520841 /nfs/dbraw/zinc/52/08/41/522520841.db2.gz XGRNMKRRONTLDN-AMIZOPFISA-N 0 3 299.302 1.355 10 5 CDBEHN CN[C@](C)(C[C@H](C)Oc1cccc([N+](=O)[O-])c1C)C(N)=O ZINC000068651277 522522386 /nfs/dbraw/zinc/52/23/86/522522386.db2.gz BWEKCQYTIHOFPA-LKFCYVNXSA-N 0 3 295.339 1.524 10 5 CDBEHN CNc1ccc(CN(CCO)C(C)C)cc1[N+](=O)[O-] ZINC000050817931 522607608 /nfs/dbraw/zinc/60/76/08/522607608.db2.gz XLDWEJLTGLXGAB-UHFFFAOYSA-N 0 3 267.329 1.839 10 5 CDBEHN C[C@H](CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000049183769 524314114 /nfs/dbraw/zinc/31/41/14/524314114.db2.gz RGJXAWVOBNKPMA-SNVBAGLBSA-N 0 3 295.314 1.948 10 5 CDBEHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cc([N+](=O)[O-])ccc1N ZINC000050815299 524568801 /nfs/dbraw/zinc/56/88/01/524568801.db2.gz OJXZPNCGQUADAA-NXEZZACHSA-N 0 3 292.339 1.263 10 5 CDBEHN C[C@H]1CNC[C@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000069132879 524699344 /nfs/dbraw/zinc/69/93/44/524699344.db2.gz ZFWCEFUAEKQQIU-UWVGGRQHSA-N 0 3 263.297 1.417 10 5 CDBEHN Cc1cccc(OCC[C@H](NC(C)C)C(N)=O)c1[N+](=O)[O-] ZINC000062540791 524751716 /nfs/dbraw/zinc/75/17/16/524751716.db2.gz PUKUQFMFULUOKU-NSHDSACASA-N 0 3 295.339 1.524 10 5 CDBEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1cc([N+](=O)[O-])cn1C1CC1 ZINC000069133000 525101886 /nfs/dbraw/zinc/10/18/86/525101886.db2.gz AJZKPDLHWCODHA-AOOOYVTPSA-N 0 3 292.339 1.554 10 5 CDBEHN Nc1ccc([N+](=O)[O-])cc1CN(CCO)C1CCCC1 ZINC000050816371 527504476 /nfs/dbraw/zinc/50/44/76/527504476.db2.gz XQTIDWMVGZNWMX-UHFFFAOYSA-N 0 3 279.340 1.914 10 5 CDBEHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813103636 617342725 /nfs/dbraw/zinc/34/27/25/617342725.db2.gz DBAYTALZNMBVNU-MRVPVSSYSA-N 0 3 269.253 1.526 10 5 CDBEHN CC(COC(=O)COCCOc1ccccc1)[N+](=O)[O-] ZINC000813107907 617344649 /nfs/dbraw/zinc/34/46/49/617344649.db2.gz RNMNHLTVLYWTBG-NSHDSACASA-N 0 3 283.280 1.290 10 5 CDBEHN C[C@@H]1[C@H](CO)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001653448208 1171545848 /nfs/dbraw/zinc/54/58/48/1171545848.db2.gz AYQHKRIFBNUEQT-OSMZGAPFSA-N 0 3 280.324 1.331 10 5 CDBEHN CC[C@@H](NC[C@@H](O)[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC001658034772 1172007313 /nfs/dbraw/zinc/00/73/13/1172007313.db2.gz VREBUDIAHRZTPY-OASPWFOLSA-N 0 3 268.313 1.377 10 5 CDBEHN Cn1cc([N+](=O)[O-])c(NC[C@@H]2CCCCN2C)n1 ZINC000231668136 1178173232 /nfs/dbraw/zinc/17/32/32/1178173232.db2.gz VHZQDNZTEHFCDY-VIFPVBQESA-N 0 3 253.306 1.225 10 5 CDBEHN CC(C)[C@H](CO)NCc1ccc([N+](=O)[O-])cc1F ZINC000311112456 1186680508 /nfs/dbraw/zinc/68/05/08/1186680508.db2.gz VPIQFCRUOMBVJF-LBPRGKRZSA-N 0 3 256.277 1.840 10 5 CDBEHN CC(COC(=O)Cc1cccc(F)c1F)[N+](=O)[O-] ZINC000813099902 1163804340 /nfs/dbraw/zinc/80/43/40/1163804340.db2.gz GUUYGOLYDJKRAR-ZETCQYMHSA-N 0 3 259.208 1.716 10 5 CDBEHN CC(COC(=O)CCSc1ccccn1)[N+](=O)[O-] ZINC000813112388 1163816664 /nfs/dbraw/zinc/81/66/64/1163816664.db2.gz PRAPBEKKZKLLLY-SECBINFHSA-N 0 3 270.310 1.772 10 5 CDBEHN CC(COC(=O)CN(C)c1ccccc1)[N+](=O)[O-] ZINC000813102979 730456327 /nfs/dbraw/zinc/45/63/27/730456327.db2.gz WZFNVNGTXSMVGO-SNVBAGLBSA-N 0 3 252.270 1.331 10 5 CDBEHN CN1C[C@H](CNCc2cc([N+](=O)[O-])ccc2Cl)CC1=O ZINC000723568151 730463570 /nfs/dbraw/zinc/46/35/70/730463570.db2.gz UURIONDWQZNMFQ-VIFPVBQESA-N 0 3 297.742 1.816 10 5 CDBEHN C[C@H]1[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])CCN1C ZINC000719628399 730731864 /nfs/dbraw/zinc/73/18/64/730731864.db2.gz YRRDBVZVYVOCTM-YUMQZZPRSA-N 0 3 281.341 1.809 10 5 CDBEHN CC(COC(=O)[C@H]1CCN(c2ccccc2F)C1)[N+](=O)[O-] ZINC000813114255 731000948 /nfs/dbraw/zinc/00/09/48/731000948.db2.gz OLUNZDKHWOVCJT-MNOVXSKESA-N 0 3 296.298 1.860 10 5 CDBEHN CC(COC(=O)c1ccnc(C2CC2)c1)[N+](=O)[O-] ZINC000813107379 731341034 /nfs/dbraw/zinc/34/10/34/731341034.db2.gz MSAMAAUKSLZPDQ-QMMMGPOBSA-N 0 3 250.254 1.781 10 5 CDBEHN C[C@@H]1[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000928448286 731348629 /nfs/dbraw/zinc/34/86/29/731348629.db2.gz MUFVECLBRWPNIZ-ZWNOBZJWSA-N 0 3 277.324 1.346 10 5 CDBEHN O=C1OC[C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000860158677 731762945 /nfs/dbraw/zinc/76/29/45/731762945.db2.gz QXBSTFVMSOQUDI-ZWNOBZJWSA-N 0 3 292.291 1.078 10 5 CDBEHN Cc1cccc(C(=O)N[C@H]2CCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000928455680 732124348 /nfs/dbraw/zinc/12/43/48/732124348.db2.gz SWBHTUIJMSQHKS-JQWIXIFHSA-N 0 3 277.324 1.726 10 5 CDBEHN CSc1cc(C(=O)OCC(C)[N+](=O)[O-])ccn1 ZINC000813111100 732290308 /nfs/dbraw/zinc/29/03/08/732290308.db2.gz CMGULUCWMOQWNI-ZETCQYMHSA-N 0 3 256.283 1.626 10 5 CDBEHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H]2C[C@H]21 ZINC000784224403 732513465 /nfs/dbraw/zinc/51/34/65/732513465.db2.gz VOLUUIWYFIIUEF-DMDPSCGWSA-N 0 3 278.308 1.429 10 5 CDBEHN C[C@@H]1CC[C@@H](O)CN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000817287238 733011265 /nfs/dbraw/zinc/01/12/65/733011265.db2.gz DLTRMNVSBZUDFU-HONMWMINSA-N 0 3 280.324 1.473 10 5 CDBEHN CC(C)OC[C@@H](O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000037894567 1165808880 /nfs/dbraw/zinc/80/88/80/1165808880.db2.gz JFLWPFUVSNTGKI-ZDUSSCGKSA-N 0 3 268.313 1.470 10 5 CDBEHN Cc1nc(NC[C@H]2CCN2C(C)(C)C)ncc1[N+](=O)[O-] ZINC001118536941 937637470 /nfs/dbraw/zinc/63/74/70/937637470.db2.gz LYXANFMANMZTPP-SNVBAGLBSA-N 0 3 279.344 1.978 10 5 CDBEHN CN1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CCC1(C)C ZINC001454265662 968452382 /nfs/dbraw/zinc/45/23/82/968452382.db2.gz FQJCRBORYLNUEV-UHFFFAOYSA-N 0 3 280.328 1.479 10 5 CDBEHN C[C@@H](CN(C)C)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601163341 342484667 /nfs/dbraw/zinc/48/46/67/342484667.db2.gz IAIRUNHVAUZCCX-LURJTMIESA-N 0 3 295.265 1.709 10 5 CDBEHN CN1C[C@H]2[C@@H](CCN2Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000590011090 342519756 /nfs/dbraw/zinc/51/97/56/342519756.db2.gz HKUMDWYKWZKUJT-JSGCOSHPSA-N 0 3 261.325 1.731 10 5 CDBEHN CNC(=O)CCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000565167706 365599257 /nfs/dbraw/zinc/59/92/57/365599257.db2.gz ZNZUXFAHIFFOOF-UHFFFAOYSA-N 0 3 277.324 1.479 10 5 CDBEHN COCCN1CCC[C@H]1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000078658781 342106851 /nfs/dbraw/zinc/10/68/51/342106851.db2.gz MNBXTGKMNAAHRU-LBPRGKRZSA-N 0 3 294.355 1.821 10 5 CDBEHN CC(C)(CNCc1ccc([N+](=O)[O-])cc1)[C@@]1(O)CCOC1 ZINC000592375536 342686920 /nfs/dbraw/zinc/68/69/20/342686920.db2.gz SZBHIQQWZKVNTF-OAHLLOKOSA-N 0 3 294.351 1.862 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CCC23CCCC3)n1 ZINC000593039402 342756575 /nfs/dbraw/zinc/75/65/75/342756575.db2.gz PCABYSNMYDFOHJ-UHFFFAOYSA-N 0 3 250.302 1.810 10 5 CDBEHN CCN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCOC1 ZINC000593068048 342762010 /nfs/dbraw/zinc/76/20/10/342762010.db2.gz COLISRMFSTZNPQ-NSHDSACASA-N 0 3 268.317 1.292 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CC[C@]3(CC3(F)F)C2)c1 ZINC000593114452 342770184 /nfs/dbraw/zinc/77/01/84/342770184.db2.gz BPXKIYKTKNLGJZ-JTQLQIEISA-N 0 3 272.255 1.522 10 5 CDBEHN O=[N+]([O-])c1ccc(-c2cnn(C[C@H]3CNCCO3)c2)cc1 ZINC000594699532 342944117 /nfs/dbraw/zinc/94/41/17/342944117.db2.gz YZTIAPPSWBQWFT-CQSZACIVSA-N 0 3 288.307 1.447 10 5 CDBEHN CN1C[C@H](CNCc2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000594981878 342993395 /nfs/dbraw/zinc/99/33/95/342993395.db2.gz BLZYGMGCDOUJPM-VIFPVBQESA-N 0 3 297.742 1.816 10 5 CDBEHN CO[C@H](CNCc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000594954361 342982997 /nfs/dbraw/zinc/98/29/97/342982997.db2.gz KSPCDMJMGDTUBN-GXTWGEPZSA-N 0 3 280.324 1.736 10 5 CDBEHN COc1cc(CN[C@H]2C[C@@H](O)C23CCC3)ccc1[N+](=O)[O-] ZINC000595779389 343150099 /nfs/dbraw/zinc/15/00/99/343150099.db2.gz DOQUWUUCGFXKGY-UONOGXRCSA-N 0 3 292.335 1.997 10 5 CDBEHN O=[N+]([O-])c1ccc(CNC2(CCO)CCOCC2)c(F)c1 ZINC000611151866 346622577 /nfs/dbraw/zinc/62/25/77/346622577.db2.gz CIINVQZIGHOPKU-UHFFFAOYSA-N 0 3 298.314 1.755 10 5 CDBEHN CCN[C@@H](CCO)C[S@@](=O)c1ccccc1[N+](=O)[O-] ZINC000085927945 179202660 /nfs/dbraw/zinc/20/26/60/179202660.db2.gz JEAOLDMTULFSBR-OVWNDWIMSA-N 0 3 286.353 1.063 10 5 CDBEHN C[NH+](C)CCn1cc([N-]c2ncc([N+](=O)[O-])s2)cn1 ZINC000619695159 350835172 /nfs/dbraw/zinc/83/51/72/350835172.db2.gz NMBQQBCERMKYEH-UHFFFAOYSA-N 0 3 282.329 1.553 10 5 CDBEHN C[C@@H]1C[C@@H](O)CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000401688935 356426699 /nfs/dbraw/zinc/42/66/99/356426699.db2.gz DPQUOFJANPNXCJ-BXUZGUMPSA-N 0 3 264.325 1.840 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN[C@H]1CCC[C@H](O)C1 ZINC000037163605 363530469 /nfs/dbraw/zinc/53/04/69/363530469.db2.gz IAQOXCLKYSXNGR-RYUDHWBXSA-N 0 3 250.298 1.988 10 5 CDBEHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2CCCN2C[C@@H]1C ZINC000578692231 356777217 /nfs/dbraw/zinc/77/72/17/356777217.db2.gz MRKUJZAENNHLOY-JQWIXIFHSA-N 0 3 293.371 1.793 10 5 CDBEHN CCN1CC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000389256837 357324773 /nfs/dbraw/zinc/32/47/73/357324773.db2.gz NWVGVCHAJWFKCL-SNVBAGLBSA-N 0 3 255.343 1.840 10 5 CDBEHN C[C@H]1NC(=O)CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000282196095 291183324 /nfs/dbraw/zinc/18/33/24/291183324.db2.gz CGFRWMDNFUUWBF-SKDRFNHKSA-N 0 3 263.297 1.352 10 5 CDBEHN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCN2CCC[C@H]2C1 ZINC000177331720 364807932 /nfs/dbraw/zinc/80/79/32/364807932.db2.gz IANWIAZFIWQPEG-NSHDSACASA-N 0 3 293.298 1.654 10 5 CDBEHN CN(C)[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000170865010 369979739 /nfs/dbraw/zinc/97/97/39/369979739.db2.gz PMTORWWKQGBTLY-VIFPVBQESA-N 0 3 296.302 1.092 10 5 CDBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000113229139 374245026 /nfs/dbraw/zinc/24/50/26/374245026.db2.gz HWVYQMQQMPJAHV-BXUZGUMPSA-N 0 3 289.335 1.904 10 5 CDBEHN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CCN1C ZINC000531634252 374504252 /nfs/dbraw/zinc/50/42/52/374504252.db2.gz PDCHXMCCFCFTIA-UWVGGRQHSA-N 0 3 278.312 1.202 10 5 CDBEHN Cc1ccc(OC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000164074824 375816292 /nfs/dbraw/zinc/81/62/92/375816292.db2.gz BEMCIUZZWMVXKQ-LLVKDONJSA-N 0 3 252.270 1.270 10 5 CDBEHN COC1(CO)CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000447092103 250340954 /nfs/dbraw/zinc/34/09/54/250340954.db2.gz XXWJDRHPLBPNEC-UHFFFAOYSA-N 0 3 294.351 1.877 10 5 CDBEHN O=[N+]([O-])c1cc(-c2cc[nH]n2)ccc1N1CCNCC1 ZINC000253568007 285080959 /nfs/dbraw/zinc/08/09/59/285080959.db2.gz KSWRFZIAHNRWDT-UHFFFAOYSA-N 0 3 273.296 1.395 10 5 CDBEHN CO[C@@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000191709872 130284015 /nfs/dbraw/zinc/28/40/15/130284015.db2.gz ADHPAKPXAQGJJA-DCAQKATOSA-N 0 3 295.339 1.935 10 5 CDBEHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000282247173 393173294 /nfs/dbraw/zinc/17/32/94/393173294.db2.gz GKTFDTGLQLFKOM-KWBADKCTSA-N 0 3 277.324 1.913 10 5 CDBEHN O=C1C[C@@]2(CCN(Cc3cccc([N+](=O)[O-])c3)C2)CN1 ZINC000278863794 393142419 /nfs/dbraw/zinc/14/24/19/393142419.db2.gz LMEWIHHDOVYHIA-AWEZNQCLSA-N 0 3 275.308 1.307 10 5 CDBEHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000566081971 397892798 /nfs/dbraw/zinc/89/27/98/397892798.db2.gz LLIGMWKKTVGNHF-NSHDSACASA-N 0 3 278.312 1.156 10 5 CDBEHN C[C@@H](CNCc1cc([N+](=O)[O-])c(F)cc1F)N(C)C ZINC000038087503 174099709 /nfs/dbraw/zinc/09/97/09/174099709.db2.gz ZQGFJEJFQVUQOE-QMMMGPOBSA-N 0 3 273.283 1.913 10 5 CDBEHN CCCN[C@H]1CCN(c2ccc([N+](=O)[O-])cc2OC)C1=O ZINC000071043000 176029023 /nfs/dbraw/zinc/02/90/23/176029023.db2.gz FZTUFZGZABNLEN-NSHDSACASA-N 0 3 293.323 1.708 10 5 CDBEHN CN(C[C@@H]1CCN(C)C1)c1ccc([N+](=O)[O-])cc1C=O ZINC000071189468 176064396 /nfs/dbraw/zinc/06/43/96/176064396.db2.gz DGYMBHDRLTWIDS-LLVKDONJSA-N 0 3 277.324 1.795 10 5 CDBEHN C[C@@H](CCNCc1ccc([N+](=O)[O-])cc1)[S@@](C)=O ZINC000133734229 277565061 /nfs/dbraw/zinc/56/50/61/277565061.db2.gz RJFSNUHHISHNPA-YPMLDQLKSA-N 0 3 270.354 1.842 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCN1C ZINC000194834253 280059044 /nfs/dbraw/zinc/05/90/44/280059044.db2.gz PTTDJZVVBYTWSO-LBPRGKRZSA-N 0 3 277.324 1.727 10 5 CDBEHN CN[C@@H](CCOc1cc(Cl)ccc1[N+](=O)[O-])C(N)=O ZINC000062595829 522346198 /nfs/dbraw/zinc/34/61/98/522346198.db2.gz UYIFWVMKKHGHMS-QMMMGPOBSA-N 0 3 287.703 1.090 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)C)c1 ZINC000050516950 520000778 /nfs/dbraw/zinc/00/07/78/520000778.db2.gz UOELABRYUOUZMO-UHFFFAOYSA-N 0 3 295.339 1.561 10 5 CDBEHN CCN(C)C(=O)COc1cc(CNC)ccc1[N+](=O)[O-] ZINC000050516838 520178871 /nfs/dbraw/zinc/17/88/71/520178871.db2.gz CCTZDQLRQPCLRJ-UHFFFAOYSA-N 0 3 281.312 1.171 10 5 CDBEHN CN[C@@](C)(C[C@@H](C)Oc1ccc(C)cc1[N+](=O)[O-])C(N)=O ZINC000068652100 522415451 /nfs/dbraw/zinc/41/54/51/522415451.db2.gz KUVCFNFBUYCESX-YGRLFVJLSA-N 0 3 295.339 1.524 10 5 CDBEHN COc1ccc(C(=O)N2[C@H](C)CNC[C@@H]2C)cc1[N+](=O)[O-] ZINC000069132551 523676848 /nfs/dbraw/zinc/67/68/48/523676848.db2.gz CJOZYVGQLGAXFJ-AOOOYVTPSA-N 0 3 293.323 1.426 10 5 CDBEHN CN1CCC[C@H](CNc2ncnc(Cl)c2[N+](=O)[O-])C1 ZINC000050455793 523842270 /nfs/dbraw/zinc/84/22/70/523842270.db2.gz FCKFXWWJLGCCIB-MRVPVSSYSA-N 0 3 285.735 1.792 10 5 CDBEHN CCc1ccc(NC(=O)[C@@H](N)CCOC)cc1[N+](=O)[O-] ZINC000052792748 523988506 /nfs/dbraw/zinc/98/85/06/523988506.db2.gz YZBWFIRUYRPEIQ-NSHDSACASA-N 0 3 281.312 1.460 10 5 CDBEHN C[C@](N)(CCCCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000045464678 525147223 /nfs/dbraw/zinc/14/72/23/525147223.db2.gz SRLWBMIXGPQTRR-ZDUSSCGKSA-N 0 3 281.312 1.347 10 5 CDBEHN Cc1ccc(O[C@@H](C)C[C@@](C)(N)C(N)=O)c([N+](=O)[O-])c1 ZINC000068652090 525461853 /nfs/dbraw/zinc/46/18/53/525461853.db2.gz OTBFOPPXSNRSIN-TVQRCGJNSA-N 0 3 281.312 1.263 10 5 CDBEHN O=[N+]([O-])c1cccc(CNCCCn2ccnn2)c1 ZINC000126414582 527386406 /nfs/dbraw/zinc/38/64/06/527386406.db2.gz GCYOSQXAALEXCI-UHFFFAOYSA-N 0 3 261.285 1.366 10 5 CDBEHN CC(COC(=O)CCCNC(=O)C(C)(C)C)[N+](=O)[O-] ZINC000813100671 617341626 /nfs/dbraw/zinc/34/16/26/617341626.db2.gz VFRJAIDTFVLXMX-VIFPVBQESA-N 0 3 274.317 1.137 10 5 CDBEHN CC1(C)CC(=O)NCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000895400567 619641155 /nfs/dbraw/zinc/64/11/55/619641155.db2.gz RYITXVASGRUYBQ-UHFFFAOYSA-N 0 3 291.351 1.738 10 5 CDBEHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCNC1=O ZINC000866386844 1164775309 /nfs/dbraw/zinc/77/53/09/1164775309.db2.gz HLIIDOXCIGSTIX-KCJUWKMLSA-N 0 3 281.287 1.143 10 5 CDBEHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C(C)(C)O ZINC001653400131 1171540888 /nfs/dbraw/zinc/54/08/88/1171540888.db2.gz MKPZQNGDVFIRFE-CYBMUJFWSA-N 0 3 282.340 1.201 10 5 CDBEHN Cc1ccc(CNC(=O)C(N)C(F)(F)F)cc1[N+](=O)[O-] ZINC000870963396 735378815 /nfs/dbraw/zinc/37/88/15/735378815.db2.gz YWNUSRRNTXYRKA-SECBINFHSA-N 0 3 291.229 1.409 10 5 CDBEHN O=[N+]([O-])c1ccccc1C[C@@H](N[C@@H]1CNOC1)C1CC1 ZINC000925866043 735459507 /nfs/dbraw/zinc/45/95/07/735459507.db2.gz JDHBTTDMFKUIEI-CHWSQXEVSA-N 0 3 277.324 1.409 10 5 CDBEHN CC(COC(=O)c1cnc([C@@H]2CCCO2)s1)[N+](=O)[O-] ZINC000813112435 735485768 /nfs/dbraw/zinc/48/57/68/735485768.db2.gz PYGYFKKHJDDGEB-YUMQZZPRSA-N 0 3 286.309 1.817 10 5 CDBEHN CC(COC(=O)C1=Cc2cc(F)ccc2OC1)[N+](=O)[O-] ZINC000813113115 735893384 /nfs/dbraw/zinc/89/33/84/735893384.db2.gz BHVIQCGPTRTSJS-QMMMGPOBSA-N 0 3 281.239 1.810 10 5 CDBEHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCNC1=O ZINC000866386845 735961631 /nfs/dbraw/zinc/96/16/31/735961631.db2.gz HLIIDOXCIGSTIX-KWQFWETISA-N 0 3 281.287 1.143 10 5 CDBEHN C[C@@H]1[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCN1C ZINC000928437319 733385003 /nfs/dbraw/zinc/38/50/03/733385003.db2.gz BYEZPJVWDHJITB-PELKAZGASA-N 0 3 281.287 1.556 10 5 CDBEHN CC(COC(=O)c1csc(C2CC2)n1)[N+](=O)[O-] ZINC000813104961 733833936 /nfs/dbraw/zinc/83/39/36/733833936.db2.gz HZXHBVPPSXLEJG-LURJTMIESA-N 0 3 256.283 1.843 10 5 CDBEHN Cc1nc(Cl)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107923 733887267 /nfs/dbraw/zinc/88/72/67/733887267.db2.gz RRSJTOQZJFJRAK-ZCFIWIBFSA-N 0 3 258.661 1.865 10 5 CDBEHN CC(COC(=O)[C@H](C)Cn1ncc2ccccc21)[N+](=O)[O-] ZINC000813114130 733960131 /nfs/dbraw/zinc/96/01/31/733960131.db2.gz MVALXSBKCPRJNQ-MNOVXSKESA-N 0 3 291.307 1.881 10 5 CDBEHN CC(COC(=O)c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000813107310 734023249 /nfs/dbraw/zinc/02/32/49/734023249.db2.gz OZJRYZZGZMZTRH-ZETCQYMHSA-N 0 3 254.198 1.417 10 5 CDBEHN C[C@@H]1CC[C@H](O)CN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000817287237 735168582 /nfs/dbraw/zinc/16/85/82/735168582.db2.gz DLTRMNVSBZUDFU-DDTOSNHZSA-N 0 3 280.324 1.473 10 5 CDBEHN CC(COC(=O)c1cccc(C2OCCO2)c1)[N+](=O)[O-] ZINC000813115277 735185427 /nfs/dbraw/zinc/18/54/27/735185427.db2.gz OEICPQGZZSGGNU-VIFPVBQESA-N 0 3 281.264 1.554 10 5 CDBEHN CCc1ccccc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813115256 735220946 /nfs/dbraw/zinc/22/09/46/735220946.db2.gz NWGANEBEZZFSRT-JTQLQIEISA-N 0 3 251.282 2.000 10 5 CDBEHN CCCCCCN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001567792376 1168977975 /nfs/dbraw/zinc/97/79/75/1168977975.db2.gz CQDFJIUHPPDCNI-VXGBXAGGSA-N 0 3 269.345 1.032 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CCCC[C@@]23CCOC3)n1 ZINC001198761232 925520544 /nfs/dbraw/zinc/52/05/44/925520544.db2.gz GCONLWFKNXFYBR-ZDUSSCGKSA-N 0 3 280.328 1.436 10 5 CDBEHN O=[N+]([O-])CCN[C@H](c1ccccc1)[C@H]1CCOC1 ZINC001333175881 958127791 /nfs/dbraw/zinc/12/77/91/958127791.db2.gz TZSWPJRXARKZNR-QWHCGFSZSA-N 0 3 250.298 1.631 10 5 CDBEHN COc1ccc(CN2CC[C@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590010667 342519448 /nfs/dbraw/zinc/51/94/48/342519448.db2.gz BSYGVMRCWADBSR-JSGCOSHPSA-N 0 3 291.351 1.739 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590442073 342546051 /nfs/dbraw/zinc/54/60/51/342546051.db2.gz GEQSVFJYUXKHQG-NOZJJQNGSA-N 0 3 293.298 1.510 10 5 CDBEHN O=C1CCC([N+](=O)[O-])[C@H](c2cc(F)ccc2F)N1 ZINC000148833080 342003106 /nfs/dbraw/zinc/00/31/06/342003106.db2.gz FQHUQVTWAIZCBZ-KOLCDFICSA-N 0 3 256.208 1.561 10 5 CDBEHN O=[N+]([O-])c1ccc(OCCNCc2cn[nH]c2)cc1 ZINC000609466560 342571771 /nfs/dbraw/zinc/57/17/71/342571771.db2.gz LNHHTAYBKZQBHH-UHFFFAOYSA-N 0 3 262.269 1.487 10 5 CDBEHN O=[N+]([O-])c1cnccc1N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594597033 342923787 /nfs/dbraw/zinc/92/37/87/342923787.db2.gz CDGXUJPDCVDRBW-DGCLKSJQSA-N 0 3 276.340 1.841 10 5 CDBEHN COC[C@H](CN(C)CCc1ccccc1[N+](=O)[O-])OC ZINC000595485092 343065994 /nfs/dbraw/zinc/06/59/94/343065994.db2.gz RIRQEGXCDCHCLK-ZDUSSCGKSA-N 0 3 282.340 1.731 10 5 CDBEHN CN1C[C@@H]2CCN(Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000595501107 343078183 /nfs/dbraw/zinc/07/81/83/343078183.db2.gz HMEIDQZVNOIOSN-SMDDNHRTSA-N 0 3 279.315 1.870 10 5 CDBEHN C[C@@]12COC[C@@H]1CN(CCOc1ccccc1[N+](=O)[O-])C2 ZINC000595759072 343143369 /nfs/dbraw/zinc/14/33/69/343143369.db2.gz OWTFNHZCXSJBSW-SWLSCSKDSA-N 0 3 292.335 1.942 10 5 CDBEHN CC[NH+](CC)CC[C@@H](CO)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596218928 343269603 /nfs/dbraw/zinc/26/96/03/343269603.db2.gz KSGXOMLBTQUXNR-JTQLQIEISA-N 0 3 298.343 1.200 10 5 CDBEHN C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](C)CN1 ZINC000086471375 345310961 /nfs/dbraw/zinc/31/09/61/345310961.db2.gz AZZCWIKAGVRQLU-ZJUUUORDSA-N 0 3 287.323 1.725 10 5 CDBEHN O=[N+]([O-])c1ccc(CNC2(CCO)CCOCC2)cc1 ZINC000610771710 346403441 /nfs/dbraw/zinc/40/34/41/346403441.db2.gz YWSYQJZNEFEGLQ-UHFFFAOYSA-N 0 3 280.324 1.616 10 5 CDBEHN CC1(C)OCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000295150115 199373319 /nfs/dbraw/zinc/37/33/19/199373319.db2.gz CZZQSETXLOTCIG-GFCCVEGCSA-N 0 3 293.323 1.351 10 5 CDBEHN CN(C)C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000105924123 186090630 /nfs/dbraw/zinc/09/06/30/186090630.db2.gz KEOBOJJXMQAIEQ-CQSZACIVSA-N 0 3 279.340 1.357 10 5 CDBEHN CCN1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)C1 ZINC000247163343 356700049 /nfs/dbraw/zinc/70/00/49/356700049.db2.gz ANIVEYSNICBXEP-QWRGUYRKSA-N 0 3 295.339 1.990 10 5 CDBEHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2CCCN2C[C@H]1C ZINC000578692232 356777183 /nfs/dbraw/zinc/77/71/83/356777183.db2.gz MRKUJZAENNHLOY-PWSUYJOCSA-N 0 3 293.371 1.793 10 5 CDBEHN COC(=O)c1cc(C)nc(SCCN(C)C)c1[N+](=O)[O-] ZINC000342553435 359102701 /nfs/dbraw/zinc/10/27/01/359102701.db2.gz SYKPYKARAQYFFX-UHFFFAOYSA-N 0 3 299.352 1.739 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN[C@H]1CNCCC1(F)F ZINC000414998419 241509688 /nfs/dbraw/zinc/50/96/88/241509688.db2.gz JABCRFXLLYSBJU-NSHDSACASA-N 0 3 271.267 1.682 10 5 CDBEHN C[C@H]1C[C@@H](Nc2ccncc2[N+](=O)[O-])CCN1C ZINC000090795001 368132360 /nfs/dbraw/zinc/13/23/60/368132360.db2.gz QVUNENJEOUXDRW-UWVGGRQHSA-N 0 3 250.302 1.884 10 5 CDBEHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])nc2)CCN1C ZINC000090795249 368133143 /nfs/dbraw/zinc/13/31/43/368133143.db2.gz NFBBGNOTMHUSEU-UWVGGRQHSA-N 0 3 250.302 1.884 10 5 CDBEHN CCN1CC[C@H](Nc2c([N+](=O)[O-])nc(C)n2CC)C1 ZINC000389472105 369255456 /nfs/dbraw/zinc/25/54/56/369255456.db2.gz VCACUMAKOMIEJX-JTQLQIEISA-N 0 3 267.333 1.626 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000170857833 369950484 /nfs/dbraw/zinc/95/04/84/369950484.db2.gz BSDRUALGJZTWCA-JTQLQIEISA-N 0 3 278.312 1.074 10 5 CDBEHN O=[N+]([O-])c1ccn(C2CCN([C@H]3CCOC3)CC2)n1 ZINC000375724488 374510045 /nfs/dbraw/zinc/51/00/45/374510045.db2.gz WQZKEWAZXXPOQC-NSHDSACASA-N 0 3 266.301 1.217 10 5 CDBEHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ccccc1[N+](=O)[O-] ZINC000069772856 392000940 /nfs/dbraw/zinc/00/09/40/392000940.db2.gz VVTHBEQTLIRGBN-CMPLNLGQSA-N 0 3 277.324 1.681 10 5 CDBEHN Cc1cnc(N2CCC[C@H]3CN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000425281350 393015252 /nfs/dbraw/zinc/01/52/52/393015252.db2.gz IZOCCVPHYTVBNA-WCQYABFASA-N 0 3 276.340 1.829 10 5 CDBEHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532397374 393073249 /nfs/dbraw/zinc/07/32/49/393073249.db2.gz QWTPUNURMBTYQJ-TVQRCGJNSA-N 0 3 290.323 1.202 10 5 CDBEHN CN(C)C[C@@H]1CCCN1c1ncc([N+](=O)[O-])s1 ZINC000276429389 393118147 /nfs/dbraw/zinc/11/81/47/393118147.db2.gz JMNGBPJJJYDBIP-QMMMGPOBSA-N 0 3 256.331 1.582 10 5 CDBEHN Cc1cc(N2CCO[C@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000284556287 393193202 /nfs/dbraw/zinc/19/32/02/393193202.db2.gz MZLPARJQPAGQSZ-CABCVRRESA-N 0 3 291.351 1.813 10 5 CDBEHN C[C@](N)(C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000040676282 174373762 /nfs/dbraw/zinc/37/37/62/174373762.db2.gz FHTWYAUYUXHUFN-CQSZACIVSA-N 0 3 277.324 1.381 10 5 CDBEHN N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000043299768 175000510 /nfs/dbraw/zinc/00/05/10/175000510.db2.gz CJKXFOCAXVYPMX-GXSJLCMTSA-N 0 3 270.310 1.029 10 5 CDBEHN CCN[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300775 175001594 /nfs/dbraw/zinc/00/15/94/175001594.db2.gz AQCRUSVHSZOWNI-AAEUAGOBSA-N 0 3 298.364 1.680 10 5 CDBEHN C[C@@H](CN1CCCC1)Nc1cc([N+](=O)[O-])ccn1 ZINC000043568099 175067316 /nfs/dbraw/zinc/06/73/16/175067316.db2.gz WVZBQFIKHJEEGR-JTQLQIEISA-N 0 3 250.302 1.886 10 5 CDBEHN CCCNCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000044297905 175161462 /nfs/dbraw/zinc/16/14/62/175161462.db2.gz HGQDXMCTDLBPSH-UHFFFAOYSA-N 0 3 251.286 1.557 10 5 CDBEHN Cc1c(C(=O)NC[C@@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000194732141 280052114 /nfs/dbraw/zinc/05/21/14/280052114.db2.gz KWXRZRPNSKOEPW-NSHDSACASA-N 0 3 277.324 1.727 10 5 CDBEHN C[C@](C[NH3+])([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000133775528 300720823 /nfs/dbraw/zinc/72/08/23/300720823.db2.gz MCGWMTFXESXJTH-GFCCVEGCSA-N 0 3 299.352 1.001 10 5 CDBEHN CC(C)[C@H](C)NC(=O)COc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516139 519812530 /nfs/dbraw/zinc/81/25/30/519812530.db2.gz YAXDFZBVNOTQAF-JTQLQIEISA-N 0 3 295.339 1.593 10 5 CDBEHN CCNc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)C ZINC000050725893 520329397 /nfs/dbraw/zinc/32/93/97/520329397.db2.gz OHVFIKRELZVRPB-UHFFFAOYSA-N 0 3 280.328 1.318 10 5 CDBEHN CCOC(=O)[C@@H](C)CNCc1cccc([N+](=O)[O-])c1 ZINC000052926280 521004911 /nfs/dbraw/zinc/00/49/11/521004911.db2.gz AFUJYCNKWZHUKM-JTQLQIEISA-N 0 3 266.297 1.884 10 5 CDBEHN CN(c1ncc([N+](=O)[O-])cn1)[C@@H]1CCN(C2CC2)C1 ZINC000354572196 523666200 /nfs/dbraw/zinc/66/62/00/523666200.db2.gz FKEVSOCZFFCOAV-SNVBAGLBSA-N 0 3 263.301 1.058 10 5 CDBEHN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000183234542 525409645 /nfs/dbraw/zinc/40/96/45/525409645.db2.gz XIZFRSRGHIVOLR-BPNCWPANSA-N 0 3 280.324 1.785 10 5 CDBEHN Cn1ccnc1COc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516228 527437785 /nfs/dbraw/zinc/43/77/85/527437785.db2.gz BCUCKQNXWOYLNM-UHFFFAOYSA-N 0 3 262.269 1.366 10 5 CDBEHN C[C@@H]1C[C@@H](O)C[C@H](C)N1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759485513 576393903 /nfs/dbraw/zinc/39/39/03/576393903.db2.gz AMQSSTCTWLMDTK-JLUCKKNBSA-N 0 3 294.351 1.862 10 5 CDBEHN Cc1cc(F)cc(C(=O)N[C@H]2CCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000928443746 619089782 /nfs/dbraw/zinc/08/97/82/619089782.db2.gz VLVPPBOHYYYOGA-CABZTGNLSA-N 0 3 295.314 1.865 10 5 CDBEHN Cc1ccc(CN2C[C@H](CO)[C@@H](CCO)C2)cc1[N+](=O)[O-] ZINC001620677753 1172604513 /nfs/dbraw/zinc/60/45/13/1172604513.db2.gz WWTSBIPLDFHHSQ-UONOGXRCSA-N 0 3 294.351 1.326 10 5 CDBEHN CC(COC(=O)c1cn(C)nc1C1CC1)[N+](=O)[O-] ZINC000813105170 737226207 /nfs/dbraw/zinc/22/62/07/737226207.db2.gz WOFDNSWFEINUOV-SSDOTTSWSA-N 0 3 253.258 1.120 10 5 CDBEHN CC(COC(=O)c1cccc(C[S@](C)=O)c1)[N+](=O)[O-] ZINC000813107027 737328134 /nfs/dbraw/zinc/32/81/34/737328134.db2.gz KMSMIFQHFKGELK-HOGDKLEQSA-N 0 3 285.321 1.387 10 5 CDBEHN CC(=O)c1cccc(O[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813107279 738518982 /nfs/dbraw/zinc/51/89/82/738518982.db2.gz OIILZBJININMGA-ONGXEEELSA-N 0 3 295.291 1.865 10 5 CDBEHN COCCOC[C@@H](O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000872231957 738190619 /nfs/dbraw/zinc/19/06/19/738190619.db2.gz VDCXMHHXEJMERC-ZDUSSCGKSA-N 0 3 298.339 1.017 10 5 CDBEHN CC[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H](C)N1 ZINC000856408958 738231906 /nfs/dbraw/zinc/23/19/06/738231906.db2.gz YWHUNYADOIXMIB-WDEREUQCSA-N 0 3 271.361 1.421 10 5 CDBEHN CC(COC(=O)[C@@H](C)Cn1ncc2ccccc21)[N+](=O)[O-] ZINC000813114132 738528506 /nfs/dbraw/zinc/52/85/06/738528506.db2.gz MVALXSBKCPRJNQ-QWRGUYRKSA-N 0 3 291.307 1.881 10 5 CDBEHN CC(COC(=O)c1csc(C(F)(F)F)n1)[N+](=O)[O-] ZINC000813112419 739001100 /nfs/dbraw/zinc/00/11/00/739001100.db2.gz PXWBZNJPXZIHDO-BYPYZUCNSA-N 0 3 284.215 1.984 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928443431 738867860 /nfs/dbraw/zinc/86/78/60/738867860.db2.gz FKSOLZBPUKHZSX-GXFFZTMASA-N 0 3 277.324 1.726 10 5 CDBEHN CCOC(=O)C(C)(C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813103080 738887307 /nfs/dbraw/zinc/88/73/07/738887307.db2.gz MZPPMESAEVDVKV-QMMMGPOBSA-N 0 3 261.274 1.174 10 5 CDBEHN O=[N+]([O-])c1c(F)cccc1NC[C@@H]1CNCCO1 ZINC000134266883 739140233 /nfs/dbraw/zinc/14/02/33/739140233.db2.gz QJEDRVAOPRTFIW-QMMMGPOBSA-N 0 3 255.249 1.134 10 5 CDBEHN CC[S@@](=O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000134734675 737243488 /nfs/dbraw/zinc/24/34/88/737243488.db2.gz ZTPYEVZMHIVRST-KRWDZBQOSA-N 0 3 256.327 1.453 10 5 CDBEHN Cc1cc(C(=O)N[C@H]2CCN(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000928456501 737580686 /nfs/dbraw/zinc/58/06/86/737580686.db2.gz LWYLEFZLUGQGNH-PWSUYJOCSA-N 0 3 277.324 1.726 10 5 CDBEHN CN1C[C@H](CCNCc2ccccc2[N+](=O)[O-])CC1=O ZINC000723544418 737957156 /nfs/dbraw/zinc/95/71/56/737957156.db2.gz FCAMBSFQAZHFBB-LLVKDONJSA-N 0 3 277.324 1.553 10 5 CDBEHN CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000855360238 738098272 /nfs/dbraw/zinc/09/82/72/738098272.db2.gz DAZULWMZPYFZBQ-LLVKDONJSA-N 0 3 292.339 1.343 10 5 CDBEHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CCCN2C)n1 ZINC001147741559 932599401 /nfs/dbraw/zinc/59/94/01/932599401.db2.gz UBXVIMKWHTUCTF-SNVBAGLBSA-N 0 3 278.312 1.122 10 5 CDBEHN CN(CCNC/C(Cl)=C\Cl)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001493545626 972079286 /nfs/dbraw/zinc/07/92/86/972079286.db2.gz OUPOJWAKPQMBQN-LKJMDQPVSA-N 0 3 296.154 1.019 10 5 CDBEHN CC1(C)CCN(CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC001558754319 965346593 /nfs/dbraw/zinc/34/65/93/965346593.db2.gz HOXFCDJMSAFCIZ-UHFFFAOYSA-N 0 3 280.328 1.385 10 5 CDBEHN C[C@@H]1CCCN1CCNc1nn(C)cc1[N+](=O)[O-] ZINC001559123076 965403914 /nfs/dbraw/zinc/40/39/14/965403914.db2.gz YCXKCJYVJYYSDI-SECBINFHSA-N 0 3 253.306 1.225 10 5 CDBEHN Cn1cc([N+](=O)[O-])c(N2CCN[C@H](c3ccccc3)C2)n1 ZINC001458618614 969320878 /nfs/dbraw/zinc/32/08/78/969320878.db2.gz NOPZHTHYTQJTNB-LBPRGKRZSA-N 0 3 287.323 1.479 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCCC[C@@]23CCOC3)c1 ZINC001655905192 1171740880 /nfs/dbraw/zinc/74/08/80/1171740880.db2.gz LNPUBIXLODOXLG-ZDUSSCGKSA-N 0 3 280.328 1.436 10 5 CDBEHN CN(C[C@@H]1CCCN(C)C1)c1ncc(F)cc1[N+](=O)[O-] ZINC000601116283 342470877 /nfs/dbraw/zinc/47/08/77/342470877.db2.gz KQLIENCQDQXDOK-SNVBAGLBSA-N 0 3 282.319 1.907 10 5 CDBEHN C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)[C@@H](C)CN1C ZINC000588010633 342490391 /nfs/dbraw/zinc/49/03/91/342490391.db2.gz XPODZCRBUCQZNW-ZJUUUORDSA-N 0 3 294.355 1.198 10 5 CDBEHN CN1C[C@H]2[C@@H](CCN2Cc2ccccc2[N+](=O)[O-])C1 ZINC000590011701 342519604 /nfs/dbraw/zinc/51/96/04/342519604.db2.gz MNKKCVQBVQMIJE-JSGCOSHPSA-N 0 3 261.325 1.731 10 5 CDBEHN C[C@H](NC[C@H](O)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC001657984690 1172000757 /nfs/dbraw/zinc/00/07/57/1172000757.db2.gz FYROZOLPQIHNLQ-CABZTGNLSA-N 0 3 268.313 1.377 10 5 CDBEHN Cc1ccc(CN[C@H]2C[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000593669786 342820889 /nfs/dbraw/zinc/82/08/89/342820889.db2.gz DXLULVQCCDOUOK-PHIMTYICSA-N 0 3 263.297 1.257 10 5 CDBEHN CO[C@](C)(CO)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000594510807 342912570 /nfs/dbraw/zinc/91/25/70/342912570.db2.gz LEZUTUNNIYSWBB-GWCFXTLKSA-N 0 3 268.313 1.643 10 5 CDBEHN O=C1CC[C@@H](CNC/C=C\c2ccccc2[N+](=O)[O-])N1 ZINC000594990349 342994429 /nfs/dbraw/zinc/99/44/29/342994429.db2.gz XNLBQOFMYQTIMD-FHMRSRPSSA-N 0 3 275.308 1.476 10 5 CDBEHN O=[N+]([O-])c1cccc(CNCC[C@@]2(O)CCOC2)c1 ZINC000404171339 349767950 /nfs/dbraw/zinc/76/79/50/349767950.db2.gz OOLNJSVFIRERGM-CYBMUJFWSA-N 0 3 266.297 1.226 10 5 CDBEHN CN(CC1CN(C)C1)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000596452710 343324745 /nfs/dbraw/zinc/32/47/45/343324745.db2.gz FOJRICSHXIDGRA-UHFFFAOYSA-N 0 3 287.323 1.536 10 5 CDBEHN COc1cc(CN2CC[C@H](CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000588975789 342446544 /nfs/dbraw/zinc/44/65/44/342446544.db2.gz JKEBYAJXWZCGRT-LLVKDONJSA-N 0 3 293.323 1.301 10 5 CDBEHN CN1CCOC[C@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000599004222 343937222 /nfs/dbraw/zinc/93/72/22/343937222.db2.gz QXHYHPDMBZSVRS-GFCCVEGCSA-N 0 3 283.303 1.154 10 5 CDBEHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1C[C@H](C(N)=O)C1 ZINC000599003344 343937404 /nfs/dbraw/zinc/93/74/04/343937404.db2.gz JPGLRAONZDKVDG-HOMQSWHASA-N 0 3 293.323 1.347 10 5 CDBEHN CN1CCOC[C@H]1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599075787 343948803 /nfs/dbraw/zinc/94/88/03/343948803.db2.gz ACILJFUFFWZBQX-RISCZKNCSA-N 0 3 291.351 1.502 10 5 CDBEHN CN1C[C@@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000603843194 344838264 /nfs/dbraw/zinc/83/82/64/344838264.db2.gz DQRUFHANCXRLAG-GXFFZTMASA-N 0 3 290.323 1.763 10 5 CDBEHN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000292869532 362506591 /nfs/dbraw/zinc/50/65/91/362506591.db2.gz AXJNNKCYWZOVEC-NQBHXWOUSA-N 0 3 280.324 1.675 10 5 CDBEHN C[C@@H]1CN[C@@H](C)CN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000086471376 345310783 /nfs/dbraw/zinc/31/07/83/345310783.db2.gz AZZCWIKAGVRQLU-VHSXEESVSA-N 0 3 287.323 1.725 10 5 CDBEHN CC[C@@H](NCCc1nnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000611327464 346749203 /nfs/dbraw/zinc/74/92/03/346749203.db2.gz DXWFGFBVSWAOBU-GFCCVEGCSA-N 0 3 290.327 1.402 10 5 CDBEHN Cc1cnc(CCN(C)CCn2ccc([N+](=O)[O-])n2)s1 ZINC000157791915 188339536 /nfs/dbraw/zinc/33/95/36/188339536.db2.gz BIRRQUXZEFCVOC-UHFFFAOYSA-N 0 3 295.368 1.731 10 5 CDBEHN C[C@@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])cn2)CCN1C ZINC000273580228 192214143 /nfs/dbraw/zinc/21/41/43/192214143.db2.gz FOOJALLGLMNGTQ-ZJUUUORDSA-N 0 3 265.317 1.304 10 5 CDBEHN C[C@@H]1CN2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])s1 ZINC000192454817 358203982 /nfs/dbraw/zinc/20/39/82/358203982.db2.gz RYQZOTADHJCTPE-RKDXNWHRSA-N 0 3 268.342 1.724 10 5 CDBEHN C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])nc2)CCN1C ZINC000581469703 363995284 /nfs/dbraw/zinc/99/52/84/363995284.db2.gz ZCEIHCXUHGOOPE-WDEREUQCSA-N 0 3 264.329 1.909 10 5 CDBEHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000282247178 299360341 /nfs/dbraw/zinc/36/03/41/299360341.db2.gz GKTFDTGLQLFKOM-OUJBWJOFSA-N 0 3 277.324 1.913 10 5 CDBEHN O=[N+]([O-])c1cc(CN2CCNC[C@H]2C(F)F)cs1 ZINC000571047664 294358781 /nfs/dbraw/zinc/35/87/81/294358781.db2.gz ZJGUHFNOVOEDHG-QMMMGPOBSA-N 0 3 277.296 1.695 10 5 CDBEHN CN(C[C@@H]1CCCN1C)c1ccc([N+](=O)[O-])nc1 ZINC000420635796 244301176 /nfs/dbraw/zinc/30/11/76/244301176.db2.gz MHCDJNYYJZLFQH-NSHDSACASA-N 0 3 250.302 1.520 10 5 CDBEHN CC[C@@H](NC[C@@H]1CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000079929095 374430510 /nfs/dbraw/zinc/43/05/10/374430510.db2.gz WBOCLVNDTHUEQV-WCQYABFASA-N 0 3 277.324 1.914 10 5 CDBEHN CN(C)CCN(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278403230 374842764 /nfs/dbraw/zinc/84/27/64/374842764.db2.gz GWKRXYAESQSVIL-UHFFFAOYSA-N 0 3 263.301 1.469 10 5 CDBEHN COC(=O)[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000299328295 375164595 /nfs/dbraw/zinc/16/45/95/375164595.db2.gz KQKFYQGVMVXHFF-LLVKDONJSA-N 0 3 294.307 1.469 10 5 CDBEHN CC(C)[C@@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000283902722 375126041 /nfs/dbraw/zinc/12/60/41/375126041.db2.gz FSLNLPKWLCOOHT-HNNXBMFYSA-N 0 3 293.367 1.734 10 5 CDBEHN C[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000305761123 375654359 /nfs/dbraw/zinc/65/43/59/375654359.db2.gz KRTQOJIYHJIMFZ-BXUZGUMPSA-N 0 3 280.324 1.676 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000133583926 375803585 /nfs/dbraw/zinc/80/35/85/375803585.db2.gz DUVHAZUNOMVYPN-JTQLQIEISA-N 0 3 281.287 1.558 10 5 CDBEHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H]2C2CC2)c1 ZINC000453011448 252250002 /nfs/dbraw/zinc/25/00/02/252250002.db2.gz HVPGLJUSUWGOMX-ZFWWWQNUSA-N 0 3 292.335 1.819 10 5 CDBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000247490949 390891098 /nfs/dbraw/zinc/89/10/98/390891098.db2.gz UFOVPGFGYAMVCR-RISCZKNCSA-N 0 3 289.335 1.904 10 5 CDBEHN CNC(=O)[C@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1C ZINC000350077105 154321215 /nfs/dbraw/zinc/32/12/15/154321215.db2.gz BWNUPJUCPIFORZ-UONOGXRCSA-N 0 3 291.351 1.908 10 5 CDBEHN CC[C@@H](C)[C@H](N)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000037029583 172894585 /nfs/dbraw/zinc/89/45/85/172894585.db2.gz OZNCVLVZIIGODU-KCJUWKMLSA-N 0 3 251.286 1.907 10 5 CDBEHN CCN1CCC[C@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000040503121 174300085 /nfs/dbraw/zinc/30/00/85/174300085.db2.gz GHZUUUXRNMKXEM-VIFPVBQESA-N 0 3 251.290 1.281 10 5 CDBEHN CO[C@H]1CN[C@@H](C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000040632958 174359352 /nfs/dbraw/zinc/35/93/52/174359352.db2.gz WSURDUISUBWLRA-PSASIEDQSA-N 0 3 299.714 1.564 10 5 CDBEHN CO[C@@H]1CN[C@H](C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000040632961 174359663 /nfs/dbraw/zinc/35/96/63/174359663.db2.gz WSURDUISUBWLRA-WPRPVWTQSA-N 0 3 299.714 1.564 10 5 CDBEHN CCNCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000044286742 175159317 /nfs/dbraw/zinc/15/93/17/175159317.db2.gz OYZFWHLRHRYDIF-UHFFFAOYSA-N 0 3 257.677 1.796 10 5 CDBEHN CCN[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000071042411 176028456 /nfs/dbraw/zinc/02/84/56/176028456.db2.gz IPDONITZZPPEIH-LBPRGKRZSA-N 0 3 263.297 1.305 10 5 CDBEHN N[C@H](CO)c1ccc(Br)cc1[N+](=O)[O-] ZINC000072199310 176340463 /nfs/dbraw/zinc/34/04/63/176340463.db2.gz RQUUVCHSUBGMJO-SSDOTTSWSA-N 0 3 261.075 1.349 10 5 CDBEHN CC(C)N(CCCO)Cc1cc([N+](=O)[O-])ccc1N ZINC000050818056 519644290 /nfs/dbraw/zinc/64/42/90/519644290.db2.gz GTPSEINCTIIPGR-UHFFFAOYSA-N 0 3 267.329 1.770 10 5 CDBEHN CC(C)N[C@@H](CCOc1ccc([N+](=O)[O-])c(F)c1)C(N)=O ZINC000062542208 519734745 /nfs/dbraw/zinc/73/47/45/519734745.db2.gz RSEQVANHCCJHDO-NSHDSACASA-N 0 3 299.302 1.355 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(OC[C@@H](O)COCC)c1 ZINC000069275852 520001416 /nfs/dbraw/zinc/00/14/16/520001416.db2.gz SKDJPULUQBHYAZ-LBPRGKRZSA-N 0 3 298.339 1.481 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(OCCCC(=O)NC)c1 ZINC000068816702 520001682 /nfs/dbraw/zinc/00/16/82/520001682.db2.gz ABMKRHWYQFHARK-UHFFFAOYSA-N 0 3 295.339 1.609 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(OC[C@@H](O)COC)c1 ZINC000069053777 520002569 /nfs/dbraw/zinc/00/25/69/520002569.db2.gz OKJPHSMPMPXYKM-NSHDSACASA-N 0 3 284.312 1.090 10 5 CDBEHN COCC[C@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000052792408 521948678 /nfs/dbraw/zinc/94/86/78/521948678.db2.gz FWZHJMLMXLOYFJ-VIFPVBQESA-N 0 3 267.285 1.206 10 5 CDBEHN CN[C@](C)(C[C@H](C)Oc1cc([N+](=O)[O-])ccc1C)C(N)=O ZINC000068651344 522523989 /nfs/dbraw/zinc/52/39/89/522523989.db2.gz PQBZXQLWOOFKBW-IINYFYTJSA-N 0 3 295.339 1.524 10 5 CDBEHN CNc1cc(C(=O)NC[C@@H](C)N(C)C)c([N+](=O)[O-])cc1F ZINC000050779936 522554969 /nfs/dbraw/zinc/55/49/69/522554969.db2.gz MTCFKNDPEWUHKV-MRVPVSSYSA-N 0 3 298.318 1.456 10 5 CDBEHN COCCN(C)CCNc1ccc(C)c([N+](=O)[O-])c1 ZINC000061701154 523614272 /nfs/dbraw/zinc/61/42/72/523614272.db2.gz QRAFKUGHOXMSPK-UHFFFAOYSA-N 0 3 267.329 1.893 10 5 CDBEHN N=C(N)c1cc(COc2cccc([N+](=O)[O-])c2)ccn1 ZINC000068762604 526819597 /nfs/dbraw/zinc/81/95/97/526819597.db2.gz HPDOPNUMYFDTSY-UHFFFAOYSA-N 0 3 272.264 1.853 10 5 CDBEHN COCCOc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813112522 617346999 /nfs/dbraw/zinc/34/69/99/617346999.db2.gz HRWKLZUHMUMIKC-LLVKDONJSA-N 0 3 297.307 1.463 10 5 CDBEHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC(C3CC3)C2)cc1 ZINC000812313327 1163613582 /nfs/dbraw/zinc/61/35/82/1163613582.db2.gz SOFGPEFUUKEOFQ-AWEZNQCLSA-N 0 3 262.309 1.970 10 5 CDBEHN COCc1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813110614 1163815597 /nfs/dbraw/zinc/81/55/97/1163815597.db2.gz FRVIIGQTVGYAND-LURJTMIESA-N 0 3 274.298 1.420 10 5 CDBEHN CC(COC(=O)c1ccc(C(=O)N(C)C)cc1)[N+](=O)[O-] ZINC000813112443 740011843 /nfs/dbraw/zinc/01/18/43/740011843.db2.gz QAMBCGLZSZQPJY-SECBINFHSA-N 0 3 280.280 1.210 10 5 CDBEHN CC(COC(=O)c1cccc(-n2cncn2)c1)[N+](=O)[O-] ZINC000813115003 740097411 /nfs/dbraw/zinc/09/74/11/740097411.db2.gz IRICRZNSCKUDJP-SECBINFHSA-N 0 3 276.252 1.089 10 5 CDBEHN C[N@@H+]1CC[C@@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC[C@@H]21 ZINC000866207699 740305639 /nfs/dbraw/zinc/30/56/39/740305639.db2.gz FRWAMGDBFBYKGE-ZJUUUORDSA-N 0 3 278.312 1.226 10 5 CDBEHN C[N@H+]1CC[C@@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC[C@@H]21 ZINC000866207699 740305642 /nfs/dbraw/zinc/30/56/42/740305642.db2.gz FRWAMGDBFBYKGE-ZJUUUORDSA-N 0 3 278.312 1.226 10 5 CDBEHN CCOC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])nc1 ZINC000816090985 740573899 /nfs/dbraw/zinc/57/38/99/740573899.db2.gz GRDULBQAEITBGP-QMMMGPOBSA-N 0 3 282.252 1.080 10 5 CDBEHN CC(COC(=O)c1cc(Cc2ccccc2)[nH]n1)[N+](=O)[O-] ZINC000813113244 741069782 /nfs/dbraw/zinc/06/97/82/741069782.db2.gz XYBVIUIMULKCQD-JTQLQIEISA-N 0 3 289.291 1.823 10 5 CDBEHN CN1CCN(c2ncccc2[N+](=O)[O-])CCC1(C)C ZINC000866113045 741501444 /nfs/dbraw/zinc/50/14/44/741501444.db2.gz QBDZQNMJDVDDEX-UHFFFAOYSA-N 0 3 264.329 1.910 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@H](CO)C2CCC2)c([N+](=O)[O-])c1 ZINC000852321240 741527522 /nfs/dbraw/zinc/52/75/22/741527522.db2.gz SKDQWOMXSSUMGW-GFCCVEGCSA-N 0 3 295.295 1.754 10 5 CDBEHN Cc1nn(C)c(C)c1C[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813114798 741633251 /nfs/dbraw/zinc/63/32/51/741633251.db2.gz GVZHKYOJCVMFTM-DTWKUNHWSA-N 0 3 283.328 1.424 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@@H]2C)c1 ZINC000928447950 739429051 /nfs/dbraw/zinc/42/90/51/739429051.db2.gz MCPKFORXXGQWQH-ZYHUDNBSSA-N 0 3 277.324 1.726 10 5 CDBEHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1CC1CCCC1 ZINC000813111004 739739987 /nfs/dbraw/zinc/73/99/87/739739987.db2.gz OAMUGEFYCXEFHT-SECBINFHSA-N 0 3 296.327 1.599 10 5 CDBEHN CC(COC(=O)CCOCc1ccccc1)[N+](=O)[O-] ZINC000813103554 740766886 /nfs/dbraw/zinc/76/68/86/740766886.db2.gz QIJPEYYCUWIOHF-LLVKDONJSA-N 0 3 267.281 1.802 10 5 CDBEHN O=[N+]([O-])c1ccccc1CNC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724641075 740835942 /nfs/dbraw/zinc/83/59/42/740835942.db2.gz RNRLLQMVBTZFGN-DYEKYZERSA-N 0 3 278.308 1.488 10 5 CDBEHN COC(=O)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000094996220 741173901 /nfs/dbraw/zinc/17/39/01/741173901.db2.gz DJABZBXMZMYFME-MFKMUULPSA-N 0 3 278.308 1.836 10 5 CDBEHN COCc1ncsc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103013 741308486 /nfs/dbraw/zinc/30/84/86/741308486.db2.gz YEZWRGALAASCAG-ZCFIWIBFSA-N 0 3 260.271 1.112 10 5 CDBEHN CN1CCC[C@@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000824002941 741395054 /nfs/dbraw/zinc/39/50/54/741395054.db2.gz JQGYOIFXXRCRHZ-SNVBAGLBSA-N 0 3 293.327 1.393 10 5 CDBEHN Cc1ccc(C(=O)N[C@H]2CN(C)CC2(C)C)cc1[N+](=O)[O-] ZINC001646373530 1167819742 /nfs/dbraw/zinc/81/97/42/1167819742.db2.gz ZFUXVFCYALQOPA-ZDUSSCGKSA-N 0 3 291.351 1.973 10 5 CDBEHN CN1C[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000590011692 342519695 /nfs/dbraw/zinc/51/96/95/342519695.db2.gz MKBCRSWGPWJNPR-BXUZGUMPSA-N 0 3 279.315 1.870 10 5 CDBEHN C[C@H]1CCN(CC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000590426073 342545217 /nfs/dbraw/zinc/54/52/17/342545217.db2.gz HSKMCSFSDXWMLO-NSHDSACASA-N 0 3 277.324 1.553 10 5 CDBEHN C[C@@H]1CN(c2ccncc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000590703702 342582470 /nfs/dbraw/zinc/58/24/70/342582470.db2.gz WAMNNYZOTKMVPK-NSHDSACASA-N 0 3 276.340 1.910 10 5 CDBEHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](C)N(C)C)n1 ZINC000611616031 346837602 /nfs/dbraw/zinc/83/76/02/346837602.db2.gz VHTCVMVNVMOWKX-SNVBAGLBSA-N 0 3 252.318 1.969 10 5 CDBEHN COc1cc(CN(C)[C@H](C)CCO)ccc1[N+](=O)[O-] ZINC000593108386 342768992 /nfs/dbraw/zinc/76/89/92/342768992.db2.gz NPVFZDJIKXCQQN-SNVBAGLBSA-N 0 3 268.313 1.806 10 5 CDBEHN [NH3+]CC1(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000404574200 349775765 /nfs/dbraw/zinc/77/57/65/349775765.db2.gz MSIFRBIHTMKNNL-UHFFFAOYSA-N 0 3 299.352 1.002 10 5 CDBEHN O=[N+]([O-])c1ccc(OCCN2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000595833872 343169909 /nfs/dbraw/zinc/16/99/09/343169909.db2.gz SMZLUMGVAGNIDI-CHWSQXEVSA-N 0 3 292.335 1.942 10 5 CDBEHN COc1cc(NCCN(C)C)c([N+](=O)[O-])cc1F ZINC000090998192 342398240 /nfs/dbraw/zinc/39/82/40/342398240.db2.gz IKYLOSQYAYGGID-UHFFFAOYSA-N 0 3 257.265 1.716 10 5 CDBEHN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](C)N1 ZINC000598531874 343827259 /nfs/dbraw/zinc/82/72/59/343827259.db2.gz RLJVQRMCEKHYHX-VHSXEESVSA-N 0 3 278.312 1.202 10 5 CDBEHN COc1cc(CNCC2COC2)c([N+](=O)[O-])cc1OC ZINC000599012252 343939924 /nfs/dbraw/zinc/93/99/24/343939924.db2.gz QHDMEGXXFJOKKM-UHFFFAOYSA-N 0 3 282.296 1.348 10 5 CDBEHN O=[N+]([O-])c1ccc([S@](=O)C[C@@H]2CCCCN2)nc1 ZINC000095091952 365936689 /nfs/dbraw/zinc/93/66/89/365936689.db2.gz RQFHXVLYFBOWJQ-YYSFKGJASA-N 0 3 269.326 1.240 10 5 CDBEHN C[C@@H](NCC1(O)CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000091957550 180292646 /nfs/dbraw/zinc/29/26/46/180292646.db2.gz AISSWPKOVJRFSY-LLVKDONJSA-N 0 3 280.324 1.787 10 5 CDBEHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(O)(C(C)C)CC1 ZINC001660626698 1172243365 /nfs/dbraw/zinc/24/33/65/1172243365.db2.gz UMVXUXVHHIDXSG-UHFFFAOYSA-N 0 3 296.371 1.583 10 5 CDBEHN C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])n2C)CCN1C ZINC000356359865 370163938 /nfs/dbraw/zinc/16/39/38/370163938.db2.gz JAABAQCIFPOIQQ-WDEREUQCSA-N 0 3 294.355 1.488 10 5 CDBEHN O=[N+]([O-])c1cc(CNC[C@H]2CCC[C@H]2O)cs1 ZINC000089162680 370230253 /nfs/dbraw/zinc/23/02/53/370230253.db2.gz LLODWECMUGJEAI-NXEZZACHSA-N 0 3 256.327 1.907 10 5 CDBEHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)CCN1C ZINC000531883423 374513433 /nfs/dbraw/zinc/51/34/33/374513433.db2.gz XZLUUCUCTQQHFC-GHMZBOCLSA-N 0 3 292.339 1.545 10 5 CDBEHN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000531887497 374514304 /nfs/dbraw/zinc/51/43/04/374514304.db2.gz YGSJLTJWRYVCAP-VHSXEESVSA-N 0 3 290.323 1.345 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCN(C)C ZINC000123786169 374699518 /nfs/dbraw/zinc/69/95/18/374699518.db2.gz MUSHSCCSTAVBOZ-UHFFFAOYSA-N 0 3 251.286 1.195 10 5 CDBEHN O=[N+]([O-])c1ccc2oc([S@](=O)[C@@H]3CCCNC3)nc2c1 ZINC000095092167 374868216 /nfs/dbraw/zinc/86/82/16/374868216.db2.gz ZAXHPKMMUXKBIB-YBYGRFCBSA-N 0 3 295.320 1.596 10 5 CDBEHN Cc1c(CN(CCO)[C@H]2CCO[C@H]2C)cccc1[N+](=O)[O-] ZINC000331164392 374897219 /nfs/dbraw/zinc/89/72/19/374897219.db2.gz LVQVNGUBHXODLG-WFASDCNBSA-N 0 3 294.351 1.875 10 5 CDBEHN Cc1nc(NC[C@H](O)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000133121421 375692140 /nfs/dbraw/zinc/69/21/40/375692140.db2.gz CROVWXAZAGEITH-LBPRGKRZSA-N 0 3 294.355 1.557 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000171279074 376509450 /nfs/dbraw/zinc/50/94/50/376509450.db2.gz PHLKCRWRVJTXAK-CYBMUJFWSA-N 0 3 289.335 1.823 10 5 CDBEHN CCN1CC[C@H](N(C)c2ncc([N+](=O)[O-])c(C)n2)[C@@H](C)C1 ZINC000450348697 251238032 /nfs/dbraw/zinc/23/80/32/251238032.db2.gz MAGRRCUZQYZXSC-JQWIXIFHSA-N 0 3 293.371 1.860 10 5 CDBEHN Cc1ccc(CN2CCNC[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000519648132 391813403 /nfs/dbraw/zinc/81/34/03/391813403.db2.gz GHGKNXKCZQLVTJ-LBPRGKRZSA-N 0 3 285.294 1.942 10 5 CDBEHN Cc1cc(N2CCN3CCC[C@H]3C2)ncc1[N+](=O)[O-] ZINC000245423626 391981458 /nfs/dbraw/zinc/98/14/58/391981458.db2.gz JOVVPWSDBGNOJJ-NSHDSACASA-N 0 3 262.313 1.583 10 5 CDBEHN O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@H](N2CCCC2)C1 ZINC000363871273 159348806 /nfs/dbraw/zinc/34/88/06/159348806.db2.gz BDGASSRPVMMSJB-LBPRGKRZSA-N 0 3 290.323 1.300 10 5 CDBEHN NC(=O)C1CCC(NCc2ccc([N+](=O)[O-])o2)CC1 ZINC000037319379 173119320 /nfs/dbraw/zinc/11/93/20/173119320.db2.gz XDLPMVNPALNDKE-UHFFFAOYSA-N 0 3 267.285 1.322 10 5 CDBEHN CC[C@H](C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000037485975 173229247 /nfs/dbraw/zinc/22/92/47/173229247.db2.gz YHOIEHLBQBWZTN-VIFPVBQESA-N 0 3 281.312 1.930 10 5 CDBEHN COC(=O)[C@H](C)Oc1cc([N+](=O)[O-])c(CN)cc1OC ZINC000043624971 175081467 /nfs/dbraw/zinc/08/14/67/175081467.db2.gz XVKHBFFDAQUAIH-ZETCQYMHSA-N 0 3 284.268 1.002 10 5 CDBEHN C[C@H](CC(N)=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000161360795 279250153 /nfs/dbraw/zinc/25/01/53/279250153.db2.gz QIWXXRZBTJIFFU-BDAKNGLRSA-N 0 3 251.286 1.509 10 5 CDBEHN C[C@H]1CN2CCC[C@@H]2CN1c1c([N+](=O)[O-])ncn1C ZINC000265015016 300317111 /nfs/dbraw/zinc/31/71/11/300317111.db2.gz XRAJJMPMHKHFPB-VHSXEESVSA-N 0 3 265.317 1.001 10 5 CDBEHN COc1cc(CNC2CC([NH+](C)C)C2)c([N+](=O)[O-])cc1[O-] ZINC000569378618 316774367 /nfs/dbraw/zinc/77/43/67/316774367.db2.gz XETLYOGMVUXTQU-UHFFFAOYSA-N 0 3 295.339 1.491 10 5 CDBEHN CC(C)OC[C@@H](O)CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000577216952 317287512 /nfs/dbraw/zinc/28/75/12/317287512.db2.gz ZRYLTXUQVIELIC-ZDUSSCGKSA-N 0 3 298.339 1.349 10 5 CDBEHN CCNCc1cc([N+](=O)[O-])ccc1OC[C@H](O)COC ZINC000069053612 519993246 /nfs/dbraw/zinc/99/32/46/519993246.db2.gz PRHVJXXBSIHJDT-GFCCVEGCSA-N 0 3 284.312 1.090 10 5 CDBEHN CCOC(=O)[C@H](C)Oc1cc(CNC)ccc1[N+](=O)[O-] ZINC000050516647 521217103 /nfs/dbraw/zinc/21/71/03/521217103.db2.gz CGKUTCFQVJAZDI-VIFPVBQESA-N 0 3 282.296 1.645 10 5 CDBEHN CCN1CCC[C@H]1CNC(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050699707 521657014 /nfs/dbraw/zinc/65/70/14/521657014.db2.gz DMOMAHPZWHPLNU-NSHDSACASA-N 0 3 292.339 1.391 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(OCc2ncon2)c1 ZINC000050516680 522124990 /nfs/dbraw/zinc/12/49/90/522124990.db2.gz DONURQNTSHKMIX-UHFFFAOYSA-N 0 3 264.241 1.276 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(OCCCC(=O)NC)c1 ZINC000068816699 522125118 /nfs/dbraw/zinc/12/51/18/522125118.db2.gz UQJUVEQZWGQAFG-UHFFFAOYSA-N 0 3 281.312 1.219 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(O[C@H](C)C(=O)NC(C)C)c1 ZINC000050516815 522128898 /nfs/dbraw/zinc/12/88/98/522128898.db2.gz ZFBAQTVRNWQCAD-SNVBAGLBSA-N 0 3 295.339 1.606 10 5 CDBEHN C[C@@H]1CNC[C@H](C)N1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000069133286 525099765 /nfs/dbraw/zinc/09/97/65/525099765.db2.gz OJSZWJXDVUJESO-PKRZQGHMSA-N 0 3 289.335 1.817 10 5 CDBEHN C[C@H](NC[C@@H]1CN(C)CCN1C)c1ccccc1[N+](=O)[O-] ZINC000068801284 525397665 /nfs/dbraw/zinc/39/76/65/525397665.db2.gz SOTZHOHPYGNBCL-QWHCGFSZSA-N 0 3 292.383 1.491 10 5 CDBEHN Nc1ccc(CN2CCC[C@H]2CCCO)cc1[N+](=O)[O-] ZINC000052763194 527481811 /nfs/dbraw/zinc/48/18/11/527481811.db2.gz OCRFGZBGRUKTIX-LBPRGKRZSA-N 0 3 279.340 1.914 10 5 CDBEHN COc1cc(CN[C@@H]2CCCOC2)c([N+](=O)[O-])cc1O ZINC000237187853 536808484 /nfs/dbraw/zinc/80/84/84/536808484.db2.gz BEBBDUTVPVEWHO-SNVBAGLBSA-N 0 3 282.296 1.578 10 5 CDBEHN C[C@@H]1C[C@H](Nc2nn(C)cc2[N+](=O)[O-])CN1C1CC1 ZINC001651638465 1171339611 /nfs/dbraw/zinc/33/96/11/1171339611.db2.gz GHAVVQAYKOOEKR-BDAKNGLRSA-N 0 3 265.317 1.365 10 5 CDBEHN COc1ccccc1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813113954 742922605 /nfs/dbraw/zinc/92/26/05/742922605.db2.gz WWZHGSYERFXXDO-SNVBAGLBSA-N 0 3 267.281 1.836 10 5 CDBEHN COc1ccc(OCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111852 745086392 /nfs/dbraw/zinc/08/63/92/745086392.db2.gz KUNHQXDHYNXXMG-VIFPVBQESA-N 0 3 269.253 1.282 10 5 CDBEHN CC(COC(=O)[C@H]1CCN(CC(F)(F)F)C1)[N+](=O)[O-] ZINC000813110745 745286577 /nfs/dbraw/zinc/28/65/77/745286577.db2.gz INWXKLFTDVDRRP-SFYZADRCSA-N 0 3 284.234 1.079 10 5 CDBEHN Cc1ccc(CNC[C@H](O)COC(C)C)cc1[N+](=O)[O-] ZINC000872232127 745376649 /nfs/dbraw/zinc/37/66/49/745376649.db2.gz YVEQGVBCAQMCSF-ZDUSSCGKSA-N 0 3 282.340 1.779 10 5 CDBEHN N[C@@H](CCO)c1ccc(Br)cc1[N+](=O)[O-] ZINC000238559398 745411650 /nfs/dbraw/zinc/41/16/50/745411650.db2.gz VGQCOOUYVVDSLD-QMMMGPOBSA-N 0 3 275.102 1.740 10 5 CDBEHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])nn1C(C)(C)C ZINC000813111178 746123508 /nfs/dbraw/zinc/12/35/08/746123508.db2.gz PUQLHZNUQMVNRR-VIFPVBQESA-N 0 3 269.301 1.769 10 5 CDBEHN Cc1cncc(/C=C/C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112188 746185909 /nfs/dbraw/zinc/18/59/09/746185909.db2.gz NKUSHPVZVJKMNR-FSIBCCDJSA-N 0 3 250.254 1.612 10 5 CDBEHN COc1cccc(C2(C(=O)OCC(C)[N+](=O)[O-])CC2)c1 ZINC000813106117 746827267 /nfs/dbraw/zinc/82/72/67/746827267.db2.gz YUBRZZKGXRXPGV-SNVBAGLBSA-N 0 3 279.292 1.935 10 5 CDBEHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1F ZINC000813111153 747292147 /nfs/dbraw/zinc/29/21/47/747292147.db2.gz PBRZAUNQWPNSDU-SSDOTTSWSA-N 0 3 257.217 1.656 10 5 CDBEHN CC(COC(=O)[C@H](C)OC[C@@H]1CCCCO1)[N+](=O)[O-] ZINC000813102203 747297242 /nfs/dbraw/zinc/29/72/42/747297242.db2.gz PGCZCFOCUCOKAC-DCAQKATOSA-N 0 3 275.301 1.169 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928445559 747700260 /nfs/dbraw/zinc/70/02/60/747700260.db2.gz ZCNBGTIRLVZAJA-GHMZBOCLSA-N 0 3 277.324 1.726 10 5 CDBEHN CO[C@](C)(CO)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848556329 747801467 /nfs/dbraw/zinc/80/14/67/747801467.db2.gz UQOURVALZLQVBL-ZANVPECISA-N 0 3 283.328 1.225 10 5 CDBEHN CN1CC[C@@H]1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000712551600 748242909 /nfs/dbraw/zinc/24/29/09/748242909.db2.gz ZBMAJFUQVCTQDN-SECBINFHSA-N 0 3 261.285 1.587 10 5 CDBEHN CC(C)N1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC001296126350 954813081 /nfs/dbraw/zinc/81/30/81/954813081.db2.gz HNNRIPVBOROPPZ-JTQLQIEISA-N 0 3 280.328 1.526 10 5 CDBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)CC1CC1 ZINC001493461868 972059080 /nfs/dbraw/zinc/05/90/80/972059080.db2.gz ZJYKFKKXJIYKKA-UHFFFAOYSA-N 0 3 291.351 1.943 10 5 CDBEHN CC[C@H](C[N+](=O)[O-])OC(=O)C1CCN(C2CC2)CC1 ZINC001526648115 968584968 /nfs/dbraw/zinc/58/49/68/968584968.db2.gz CDCGXGHKFPSGKP-GFCCVEGCSA-N 0 3 270.329 1.459 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000590442707 342546227 /nfs/dbraw/zinc/54/62/27/342546227.db2.gz AGLOGPFRYBZKFW-DGCLKSJQSA-N 0 3 289.335 1.679 10 5 CDBEHN COCCN1CCC[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000609039376 342087936 /nfs/dbraw/zinc/08/79/36/342087936.db2.gz RNSBPJXCOLNSJU-LLVKDONJSA-N 0 3 280.328 1.513 10 5 CDBEHN CC[C@@H](NC[C@H](O)[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC001658034771 1172006749 /nfs/dbraw/zinc/00/67/49/1172006749.db2.gz VREBUDIAHRZTPY-BIMULSAOSA-N 0 3 268.313 1.377 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000593716860 342828343 /nfs/dbraw/zinc/82/83/43/342828343.db2.gz KSIMADFMWZSOFR-GARJFASQSA-N 0 3 277.324 1.818 10 5 CDBEHN O=[N+]([O-])c1ccc(-c2ccc(N3CCNCC3)nc2)cn1 ZINC000600789984 342249534 /nfs/dbraw/zinc/24/95/34/342249534.db2.gz VQJLKBMJMCCMSA-UHFFFAOYSA-N 0 3 285.307 1.461 10 5 CDBEHN C[C@@H](NC[C@H](O)CC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000599350506 344016198 /nfs/dbraw/zinc/01/61/98/344016198.db2.gz RIZREUPMYDYRGT-BXUZGUMPSA-N 0 3 294.351 1.911 10 5 CDBEHN C[C@@H](NCC[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000404213096 349768627 /nfs/dbraw/zinc/76/86/27/349768627.db2.gz XJLVUMKMYCZCOK-RISCZKNCSA-N 0 3 280.324 1.787 10 5 CDBEHN COc1cccc([N+](=O)[O-])c1N1CCN[C@@H](C)C1 ZINC000596016312 343219716 /nfs/dbraw/zinc/21/97/16/343219716.db2.gz PORHSAISJVALKI-VIFPVBQESA-N 0 3 251.286 1.402 10 5 CDBEHN COc1ccc(CN2CC[C@@H](F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000595905675 343188383 /nfs/dbraw/zinc/18/83/83/343188383.db2.gz FQXJJQGAXUGLOG-GHMZBOCLSA-N 0 3 283.303 1.475 10 5 CDBEHN CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CCN(C)C1 ZINC000597944548 343674978 /nfs/dbraw/zinc/67/49/78/343674978.db2.gz DXUOPYKYBYNJJK-SECBINFHSA-N 0 3 266.301 1.089 10 5 CDBEHN CN1CCOC[C@H]1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000599004671 343937751 /nfs/dbraw/zinc/93/77/51/343937751.db2.gz WZDUECXBJDVENK-KXQLTZBTSA-N 0 3 291.351 1.528 10 5 CDBEHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1CCCO ZINC000052762641 345331996 /nfs/dbraw/zinc/33/19/96/345331996.db2.gz MMTJJUWQOVUPSU-GFCCVEGCSA-N 0 3 282.344 1.337 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CC[C@H](C(F)F)C2)c1 ZINC000611180149 346630600 /nfs/dbraw/zinc/63/06/00/346630600.db2.gz SPMBRNGAHPQUAD-QMMMGPOBSA-N 0 3 260.244 1.378 10 5 CDBEHN CN1CCO[C@H](CNCc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000105472021 186059641 /nfs/dbraw/zinc/05/96/41/186059641.db2.gz OEGIWLLOXFDFLW-LLVKDONJSA-N 0 3 299.758 1.668 10 5 CDBEHN COC1CCN(CCNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000080267745 351042550 /nfs/dbraw/zinc/04/25/50/351042550.db2.gz XKQFHAPISNVOLJ-UHFFFAOYSA-N 0 3 280.328 1.513 10 5 CDBEHN COc1ccc(CN[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000052013337 363128112 /nfs/dbraw/zinc/12/81/12/363128112.db2.gz ZSKVDGXBGIXIIR-WCQYABFASA-N 0 3 280.324 1.997 10 5 CDBEHN CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000360897861 357738274 /nfs/dbraw/zinc/73/82/74/357738274.db2.gz WTHNJIJUCUIJQZ-GFCCVEGCSA-N 0 3 293.371 1.793 10 5 CDBEHN CO[C@H](C)CN(CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000341567729 358661190 /nfs/dbraw/zinc/66/11/90/358661190.db2.gz RFYGBGFVSNFYLL-GFCCVEGCSA-N 0 3 297.355 1.502 10 5 CDBEHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)[C@H](C)CCO1 ZINC001660667000 1172254254 /nfs/dbraw/zinc/25/42/54/1172254254.db2.gz AZALNHFJQRIKOK-GHMZBOCLSA-N 0 3 268.317 1.291 10 5 CDBEHN Cc1ncc([N+](=O)[O-])n1CCN1CCC([C@@H](C)O)CC1 ZINC000235297580 367636056 /nfs/dbraw/zinc/63/60/56/367636056.db2.gz PSLLKXLBTWTTJK-SNVBAGLBSA-N 0 3 282.344 1.193 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000224047664 373365484 /nfs/dbraw/zinc/36/54/84/373365484.db2.gz JRUVKWFUEUOJDX-JTQLQIEISA-N 0 3 278.312 1.001 10 5 CDBEHN O=[N+]([O-])c1ccc(CNCC2CC(O)C2)c(F)c1 ZINC000310888830 374236583 /nfs/dbraw/zinc/23/65/83/374236583.db2.gz XVSWEHHOSPLRJC-UHFFFAOYSA-N 0 3 254.261 1.594 10 5 CDBEHN Cc1cc(C(=O)NC[C@@H]2CCCN2C)cc([N+](=O)[O-])c1 ZINC000139820445 374842202 /nfs/dbraw/zinc/84/22/02/374842202.db2.gz MGKLMRGEMXZTPO-LBPRGKRZSA-N 0 3 277.324 1.727 10 5 CDBEHN O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CCCCN1CCO ZINC000450620180 251371316 /nfs/dbraw/zinc/37/13/16/251371316.db2.gz VKBXAGPVNBBDDU-GFCCVEGCSA-N 0 3 297.330 1.993 10 5 CDBEHN Cc1ccc(CN2C[C@H](CCO)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC001620677751 1172604133 /nfs/dbraw/zinc/60/41/33/1172604133.db2.gz WWTSBIPLDFHHSQ-KBPBESRZSA-N 0 3 294.351 1.326 10 5 CDBEHN CC1=C[C@H](C)CN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000430286502 393097843 /nfs/dbraw/zinc/09/78/43/393097843.db2.gz UJEHSSDFVNEHNW-NSHDSACASA-N 0 3 277.324 1.655 10 5 CDBEHN CNC(=O)CCN(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352398468 155159723 /nfs/dbraw/zinc/15/97/23/155159723.db2.gz COVCAKYUXVYHGS-UHFFFAOYSA-N 0 3 281.312 1.171 10 5 CDBEHN CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1O ZINC000352661804 155332326 /nfs/dbraw/zinc/33/23/26/155332326.db2.gz YNANEQUDCCAITG-STQMWFEESA-N 0 3 250.298 1.940 10 5 CDBEHN C[C@H](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N(C)C ZINC000358850022 158050019 /nfs/dbraw/zinc/05/00/19/158050019.db2.gz FUSHUZQZFXYKQY-MRVPVSSYSA-N 0 3 277.280 1.141 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]3COCC[C@@H]32)n1 ZINC000362453823 159152509 /nfs/dbraw/zinc/15/25/09/159152509.db2.gz PPPBXBPXHICJHO-NEPJUHHUSA-N 0 3 280.328 1.292 10 5 CDBEHN Cn1cnc(CCNCc2csc([N+](=O)[O-])c2)c1 ZINC000313290874 260278904 /nfs/dbraw/zinc/27/89/04/260278904.db2.gz FWYZMDKRZQKAQR-UHFFFAOYSA-N 0 3 266.326 1.722 10 5 CDBEHN C[C@@H](NC[C@H](O)Cn1cccn1)c1ccccc1[N+](=O)[O-] ZINC000271758685 278353748 /nfs/dbraw/zinc/35/37/48/278353748.db2.gz OLTTZEDLTFRXNR-NEPJUHHUSA-N 0 3 290.323 1.503 10 5 CDBEHN O=[N+]([O-])c1ccc(CNCC[C@@H](O)C(F)(F)F)cc1 ZINC000349333382 280364445 /nfs/dbraw/zinc/36/44/45/280364445.db2.gz QAOHMOQEARHYMV-SNVBAGLBSA-N 0 3 278.230 1.998 10 5 CDBEHN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](N(C)C)C2)n1 ZINC000408172598 280399194 /nfs/dbraw/zinc/39/91/94/280399194.db2.gz YMYZPVXWWZNWHV-NSHDSACASA-N 0 3 264.329 1.747 10 5 CDBEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000069132736 288325459 /nfs/dbraw/zinc/32/54/59/288325459.db2.gz SPPZQWDVTCDBRZ-AOOOYVTPSA-N 0 3 263.297 1.417 10 5 CDBEHN CN(C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531887584 281862323 /nfs/dbraw/zinc/86/23/23/281862323.db2.gz NUPHPQAUELWMPR-LLVKDONJSA-N 0 3 278.312 1.156 10 5 CDBEHN Cc1cnc(N2C[C@H]3CCCN3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000408240508 482482401 /nfs/dbraw/zinc/48/24/01/482482401.db2.gz NLJKNYCKBYARIX-NWDGAFQWSA-N 0 3 276.340 1.971 10 5 CDBEHN CCN[C@@H](COc1cc([N+](=O)[O-])ccc1Cl)C(N)=O ZINC000069508128 520101376 /nfs/dbraw/zinc/10/13/76/520101376.db2.gz VEGRIXDOTWUANU-VIFPVBQESA-N 0 3 287.703 1.090 10 5 CDBEHN CCOc1ccc(CNCCOC)cc1[N+](=O)[O-] ZINC000062730712 521001473 /nfs/dbraw/zinc/00/14/73/521001473.db2.gz GWRGJUNUYGXHOI-UHFFFAOYSA-N 0 3 254.286 1.730 10 5 CDBEHN COC[C@@H](O)COc1ccc([N+](=O)[O-])cc1CNC1CC1 ZINC000069053619 522427486 /nfs/dbraw/zinc/42/74/86/522427486.db2.gz GXJZAVONTWUEQZ-CYBMUJFWSA-N 0 3 296.323 1.233 10 5 CDBEHN CNc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000050792084 522609046 /nfs/dbraw/zinc/60/90/46/522609046.db2.gz MECVESIFTCFTJZ-LLVKDONJSA-N 0 3 292.339 1.334 10 5 CDBEHN Cc1cc(COc2cc(CN)ccc2[N+](=O)[O-])no1 ZINC000050516174 524807564 /nfs/dbraw/zinc/80/75/64/524807564.db2.gz RDHZAGFKXYWHTH-UHFFFAOYSA-N 0 3 263.253 1.929 10 5 CDBEHN CN1CCC[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000918719808 632429163 /nfs/dbraw/zinc/42/91/63/632429163.db2.gz OWDPRRHSYGVZEP-LLVKDONJSA-N 0 3 294.380 1.975 10 5 CDBEHN CC(COC(=O)c1cnc(-c2cnn(C)c2)s1)[N+](=O)[O-] ZINC000813105382 751372889 /nfs/dbraw/zinc/37/28/89/751372889.db2.gz YIRJZKNUEATMOH-ZETCQYMHSA-N 0 3 296.308 1.366 10 5 CDBEHN C[C@H]([NH3+])C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857763914 751398921 /nfs/dbraw/zinc/39/89/21/751398921.db2.gz ATYFJIAFLAEKBT-ZETCQYMHSA-N 0 3 289.238 1.030 10 5 CDBEHN CC(C)C(=O)N1CCC(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813108392 751626801 /nfs/dbraw/zinc/62/68/01/751626801.db2.gz FSXMDAOTFFMCNV-SNVBAGLBSA-N 0 3 286.328 1.089 10 5 CDBEHN CCOc1ccc(OCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813100015 751979383 /nfs/dbraw/zinc/97/93/83/751979383.db2.gz KEQXPTDENDVIDN-SNVBAGLBSA-N 0 3 283.280 1.673 10 5 CDBEHN COC(=O)[C@H]1CC[C@H](C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813111031 752022929 /nfs/dbraw/zinc/02/29/29/752022929.db2.gz AREYLOITYIBFAH-OPRDCNLKSA-N 0 3 273.285 1.174 10 5 CDBEHN CO[C@](C)(C(=O)OCC(C)[N+](=O)[O-])c1ccccc1F ZINC000813113351 749637144 /nfs/dbraw/zinc/63/71/44/749637144.db2.gz ZDWPSOSMAPZQCE-RNCFNFMXSA-N 0 3 285.271 1.896 10 5 CDBEHN CC(COC(=O)[C@H](C)N1CCc2ccccc2C1)[N+](=O)[O-] ZINC000813105006 750393279 /nfs/dbraw/zinc/39/32/79/750393279.db2.gz JCIBNSKLSKTMTO-NEPJUHHUSA-N 0 3 292.335 1.642 10 5 CDBEHN COc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1F ZINC000813115236 750825729 /nfs/dbraw/zinc/82/57/29/750825729.db2.gz NODZGRCIKMDICA-QMMMGPOBSA-N 0 3 271.244 1.585 10 5 CDBEHN COC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1F ZINC000813108048 750877612 /nfs/dbraw/zinc/87/76/12/750877612.db2.gz UNBLROMIQQXWBU-ZETCQYMHSA-N 0 3 285.227 1.434 10 5 CDBEHN CC[C@@H](NC[C@H](O)C1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000930233438 751317285 /nfs/dbraw/zinc/31/72/85/751317285.db2.gz QKXYTBQMDDUJTC-KGLIPLIRSA-N 0 3 294.351 1.911 10 5 CDBEHN COc1ccc(CCC(=O)OCC(C)[N+](=O)[O-])cc1F ZINC000813106745 752574790 /nfs/dbraw/zinc/57/47/90/752574790.db2.gz HHGSTURZZZMIKF-SECBINFHSA-N 0 3 285.271 1.975 10 5 CDBEHN Cc1nn(C(C)C)c(C)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000797279947 753003215 /nfs/dbraw/zinc/00/32/15/753003215.db2.gz LRVWIXOVHIYTHJ-SECBINFHSA-N 0 3 283.328 1.832 10 5 CDBEHN COC(=O)C1=CC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000862464575 753136565 /nfs/dbraw/zinc/13/65/65/753136565.db2.gz BYYISGMJVCCIHM-GFCCVEGCSA-N 0 3 276.292 1.946 10 5 CDBEHN COC(=O)c1ccccc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813107701 753363807 /nfs/dbraw/zinc/36/38/07/753363807.db2.gz UOTAPYCKENAMRP-VIFPVBQESA-N 0 3 281.264 1.224 10 5 CDBEHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](C)N2CCCC2)n1 ZINC001182338589 917791982 /nfs/dbraw/zinc/79/19/82/917791982.db2.gz IPHIMOHNYQPJGO-NSHDSACASA-N 0 3 292.339 1.512 10 5 CDBEHN CN1CCN(C(C)(C)CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC001117746762 937549030 /nfs/dbraw/zinc/54/90/30/937549030.db2.gz BEOJZHGRNKVENX-UHFFFAOYSA-N 0 3 293.371 1.428 10 5 CDBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NOCCN(C)C ZINC001328701547 955423213 /nfs/dbraw/zinc/42/32/13/955423213.db2.gz DFJJRQGUDHANSX-ZHACJKMWSA-N 0 3 293.323 1.608 10 5 CDBEHN CC(=O)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001320938308 959466651 /nfs/dbraw/zinc/46/66/51/959466651.db2.gz DGBIWMQARBXUHP-IHWYPQMZSA-N 0 3 263.297 1.377 10 5 CDBEHN CCN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C(C)(C)C1 ZINC001558528423 965308249 /nfs/dbraw/zinc/30/82/49/965308249.db2.gz VPNFDPYRQBTHEC-SNVBAGLBSA-N 0 3 280.328 1.383 10 5 CDBEHN CN1C[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000590445824 342546559 /nfs/dbraw/zinc/54/65/59/342546559.db2.gz SIQFWMLTARGXDA-TVQRCGJNSA-N 0 3 293.298 1.510 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000590446071 342546591 /nfs/dbraw/zinc/54/65/91/342546591.db2.gz QZEUPCONUKFTTN-ZWNOBZJWSA-N 0 3 290.323 1.074 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593114453 342770325 /nfs/dbraw/zinc/77/03/25/342770325.db2.gz BPXKIYKTKNLGJZ-SNVBAGLBSA-N 0 3 272.255 1.522 10 5 CDBEHN COc1ccc(CNCC[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000404209018 349768686 /nfs/dbraw/zinc/76/86/86/349768686.db2.gz OROYYEIXBFNRNC-CQSZACIVSA-N 0 3 296.323 1.235 10 5 CDBEHN C[C@H](NCC[C@@]1(O)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000404203815 349768910 /nfs/dbraw/zinc/76/89/10/349768910.db2.gz OWPAMVZLRYIYSJ-SMDDNHRTSA-N 0 3 280.324 1.787 10 5 CDBEHN CN(Cc1ccc([N+](=O)[O-])cc1F)CC1CN(C)C1 ZINC000597202452 343472016 /nfs/dbraw/zinc/47/20/16/343472016.db2.gz BMEXTCABJUXLGZ-UHFFFAOYSA-N 0 3 267.304 1.727 10 5 CDBEHN Cc1noc(CCNCc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000105469871 186059264 /nfs/dbraw/zinc/05/92/64/186059264.db2.gz IUVNNCGQCZJZDU-UHFFFAOYSA-N 0 3 276.296 1.927 10 5 CDBEHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)N(C)C)c1 ZINC000136296736 362965480 /nfs/dbraw/zinc/96/54/80/362965480.db2.gz QLUUTWRCKKVFJJ-SECBINFHSA-N 0 3 281.312 1.743 10 5 CDBEHN C[C@@H](CO)CNCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000109133283 186244629 /nfs/dbraw/zinc/24/46/29/186244629.db2.gz FQVVOMILILSBTE-MRVPVSSYSA-N 0 3 258.705 1.966 10 5 CDBEHN Nc1ccc(NCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000286399297 356286612 /nfs/dbraw/zinc/28/66/12/356286612.db2.gz NWMJINBLLHCSKX-UHFFFAOYSA-N 0 3 250.302 1.685 10 5 CDBEHN CO[C@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000290413828 366494469 /nfs/dbraw/zinc/49/44/69/366494469.db2.gz ADHPAKPXAQGJJA-OUAUKWLOSA-N 0 3 295.339 1.935 10 5 CDBEHN O=[N+]([O-])c1cc(CNC[C@@H](CO)c2cccnc2)cs1 ZINC000342277073 358981702 /nfs/dbraw/zinc/98/17/02/358981702.db2.gz CCMVXILJQCKMBK-LBPRGKRZSA-N 0 3 293.348 1.917 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCN(C)C1CC1 ZINC000342775375 360063932 /nfs/dbraw/zinc/06/39/32/360063932.db2.gz DUMOEQNUAVFKMZ-UHFFFAOYSA-N 0 3 278.312 1.122 10 5 CDBEHN COC[C@](C)(CCO)NCc1cccc([N+](=O)[O-])c1C ZINC000177407805 238299239 /nfs/dbraw/zinc/29/92/39/238299239.db2.gz SSNAFXYPHWMTMT-AWEZNQCLSA-N 0 3 282.340 1.780 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000049095775 372908342 /nfs/dbraw/zinc/90/83/42/372908342.db2.gz IAHDDIDJGXMOKR-VIFPVBQESA-N 0 3 269.326 1.480 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN[C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000422945816 374363779 /nfs/dbraw/zinc/36/37/79/374363779.db2.gz NZNKMDMHKNBNSE-GJZGRUSLSA-N 0 3 291.351 1.451 10 5 CDBEHN COC[C@@](C)(O)CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000449386809 374805746 /nfs/dbraw/zinc/80/57/46/374805746.db2.gz VEEKMHBQEUWTQF-AWEZNQCLSA-N 0 3 298.339 1.481 10 5 CDBEHN CCN(CCOCCO)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000282197351 375071909 /nfs/dbraw/zinc/07/19/09/375071909.db2.gz WXLPUOZXEAUNMH-GFCCVEGCSA-N 0 3 282.340 1.987 10 5 CDBEHN O=[N+]([O-])c1ccc(CCN2CCSC[C@@H]2CCO)cc1 ZINC000347539802 376366394 /nfs/dbraw/zinc/36/63/94/376366394.db2.gz UDORAZOMEYXCJS-AWEZNQCLSA-N 0 3 296.392 1.937 10 5 CDBEHN CCN1CCC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173563585 378621739 /nfs/dbraw/zinc/62/17/39/378621739.db2.gz FIWWYKVWCQVWQZ-ZDUSSCGKSA-N 0 3 291.351 1.738 10 5 CDBEHN CCc1ccc(C(=O)NC[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000174231464 379399582 /nfs/dbraw/zinc/39/95/82/379399582.db2.gz CDUBOXQQCXHENF-ZDUSSCGKSA-N 0 3 291.351 1.981 10 5 CDBEHN Cc1cccc(N2CCCN(CCO)CC2)c1[N+](=O)[O-] ZINC000218850626 130771026 /nfs/dbraw/zinc/77/10/26/130771026.db2.gz CHBSLZQOAVYUEA-UHFFFAOYSA-N 0 3 279.340 1.408 10 5 CDBEHN COc1cc(CN[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000459595384 392487512 /nfs/dbraw/zinc/48/75/12/392487512.db2.gz MPUPXXNHIPYTQS-ZYHUDNBSSA-N 0 3 296.323 1.615 10 5 CDBEHN C[C@H]1CNCCN1c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC000095069582 392717401 /nfs/dbraw/zinc/71/74/01/392717401.db2.gz LARNKPVLOBDJAL-VIFPVBQESA-N 0 3 273.296 1.336 10 5 CDBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000113233571 392869002 /nfs/dbraw/zinc/86/90/02/392869002.db2.gz OCBFAPQUMIKMEC-NWDGAFQWSA-N 0 3 289.335 1.904 10 5 CDBEHN CNC(=O)[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000420973589 392922375 /nfs/dbraw/zinc/92/23/75/392922375.db2.gz LKAWIQXSDUXZAA-LLVKDONJSA-N 0 3 293.323 1.042 10 5 CDBEHN CNC(=O)[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000420974991 392924503 /nfs/dbraw/zinc/92/45/03/392924503.db2.gz NKJLEJDIJHMTTO-NSHDSACASA-N 0 3 293.323 1.042 10 5 CDBEHN O=[N+]([O-])c1cc(CN2CC[C@@H](c3nc[nH]n3)C2)cs1 ZINC000425351975 393020852 /nfs/dbraw/zinc/02/08/52/393020852.db2.gz HEMUGYKJKJWBPQ-SECBINFHSA-N 0 3 279.325 1.764 10 5 CDBEHN Cc1c(C(=O)N2CCN3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000195316131 140154927 /nfs/dbraw/zinc/15/49/27/140154927.db2.gz XAZYDXVKMGPYPE-LBPRGKRZSA-N 0 3 289.335 1.823 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC1CC1 ZINC000037386736 173169468 /nfs/dbraw/zinc/16/94/68/173169468.db2.gz NVLXSLHIZUIVFN-UHFFFAOYSA-N 0 3 265.269 1.294 10 5 CDBEHN CO[C@@H]1CN[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000040633269 174359550 /nfs/dbraw/zinc/35/95/50/174359550.db2.gz SOBBKICVZNJPIQ-WPRPVWTQSA-N 0 3 299.714 1.564 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](NC2CC2)C1=O ZINC000071034767 176024642 /nfs/dbraw/zinc/02/46/42/176024642.db2.gz CHWMEQDNZGPXRP-LBPRGKRZSA-N 0 3 275.308 1.761 10 5 CDBEHN COC[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000129742258 274051330 /nfs/dbraw/zinc/05/13/30/274051330.db2.gz MZXNKUJCYZEALA-CQSZACIVSA-N 0 3 280.324 1.567 10 5 CDBEHN C[C@@H]1CN2CCC[C@@H]2CN1c1ncccc1[N+](=O)[O-] ZINC000113248296 274375051 /nfs/dbraw/zinc/37/50/51/274375051.db2.gz LXIBTTVWDJBNMP-GHMZBOCLSA-N 0 3 262.313 1.663 10 5 CDBEHN C[C@@H]1CNCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094772137 278839038 /nfs/dbraw/zinc/83/90/38/278839038.db2.gz IBOYVKKQLPDSBQ-MRVPVSSYSA-N 0 3 261.285 1.269 10 5 CDBEHN CC[NH2+]CCS(=O)(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1 ZINC000049641292 519926038 /nfs/dbraw/zinc/92/60/38/519926038.db2.gz RRPIZRXNSJPNIL-UHFFFAOYSA-N 0 3 287.341 1.254 10 5 CDBEHN CC(C)N1CCN(Cc2cc([N+](=O)[O-])ccc2N)CC1 ZINC000050813876 519682422 /nfs/dbraw/zinc/68/24/22/519682422.db2.gz UEAKHCWBZQEFBH-UHFFFAOYSA-N 0 3 278.356 1.703 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(O[C@@H](CC)C(N)=O)c1 ZINC000061676060 520002083 /nfs/dbraw/zinc/00/20/83/520002083.db2.gz NNNXRGVKEHYBFZ-NSHDSACASA-N 0 3 281.312 1.347 10 5 CDBEHN CCNCc1nccn1Cc1cccc([N+](=O)[O-])c1 ZINC000051004878 520023252 /nfs/dbraw/zinc/02/32/52/520023252.db2.gz BDGAVSCHQSZJJP-UHFFFAOYSA-N 0 3 260.297 1.949 10 5 CDBEHN CCNc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N(C)C)c1 ZINC000050779925 520327210 /nfs/dbraw/zinc/32/72/10/520327210.db2.gz XERRSRAUFBQRPP-SNVBAGLBSA-N 0 3 294.355 1.707 10 5 CDBEHN CCOC(=O)[C@@H](C)Oc1cc(CNC)ccc1[N+](=O)[O-] ZINC000050516645 521031597 /nfs/dbraw/zinc/03/15/97/521031597.db2.gz CGKUTCFQVJAZDI-SECBINFHSA-N 0 3 282.296 1.645 10 5 CDBEHN CN(C)C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000061644513 521866730 /nfs/dbraw/zinc/86/67/30/521866730.db2.gz KCLKTSYEQNDOEA-LLVKDONJSA-N 0 3 295.314 1.900 10 5 CDBEHN CC[C@H](Oc1ccc(CNC(C)C)cc1[N+](=O)[O-])C(N)=O ZINC000061675730 522871767 /nfs/dbraw/zinc/87/17/67/522871767.db2.gz UFZONBURNBJYJF-LBPRGKRZSA-N 0 3 295.339 1.736 10 5 CDBEHN COCCN(C)CCNc1cc(F)cc([N+](=O)[O-])c1 ZINC000061379672 523612291 /nfs/dbraw/zinc/61/22/91/523612291.db2.gz CAZIDCWJHXMMFB-UHFFFAOYSA-N 0 3 271.292 1.724 10 5 CDBEHN COCCN(C)CCNc1cc([N+](=O)[O-])ccc1C ZINC000061379457 523614289 /nfs/dbraw/zinc/61/42/89/523614289.db2.gz IZFKLMZPEIFHTC-UHFFFAOYSA-N 0 3 267.329 1.893 10 5 CDBEHN C[C@H]1CNC[C@H](C)N1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000069133247 524696024 /nfs/dbraw/zinc/69/60/24/524696024.db2.gz GOULKQDRJIZNAF-YUMQZZPRSA-N 0 3 299.277 1.695 10 5 CDBEHN NCc1cnn(Cc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000054716774 527264408 /nfs/dbraw/zinc/26/44/08/527264408.db2.gz GWCCMOCULASHGZ-UHFFFAOYSA-N 0 3 250.233 1.437 10 5 CDBEHN O=[N+]([O-])c1ccccc1CCN1CCC[C@H](CO)C1 ZINC000062727280 527397003 /nfs/dbraw/zinc/39/70/03/527397003.db2.gz OCJHJSUJNHOPCH-LBPRGKRZSA-N 0 3 264.325 1.842 10 5 CDBEHN CCN1CC[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000389183870 617228129 /nfs/dbraw/zinc/22/81/29/617228129.db2.gz RHZPKFMVQZURRD-MRVPVSSYSA-N 0 3 281.341 1.810 10 5 CDBEHN CC(COC(=O)CCC(=O)c1ccccn1)[N+](=O)[O-] ZINC000813107761 617344332 /nfs/dbraw/zinc/34/43/32/617344332.db2.gz VWEBNTIOKXAUCC-VIFPVBQESA-N 0 3 266.253 1.253 10 5 CDBEHN COCCOc1ccccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813115495 617349436 /nfs/dbraw/zinc/34/94/36/617349436.db2.gz TVKGXNFEFWUXDO-JTQLQIEISA-N 0 3 283.280 1.534 10 5 CDBEHN Cc1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928453788 619119064 /nfs/dbraw/zinc/11/90/64/619119064.db2.gz LHOPXZGAPDWVOA-PWSUYJOCSA-N 0 3 277.324 1.726 10 5 CDBEHN CC[C@H](CNCc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000895119249 619313201 /nfs/dbraw/zinc/31/32/01/619313201.db2.gz BOAAROPKRJTJRC-LLVKDONJSA-N 0 3 266.297 1.884 10 5 CDBEHN CC(COC(=O)[C@@H]1CCN(CC(F)(F)F)C1)[N+](=O)[O-] ZINC000813110744 753966988 /nfs/dbraw/zinc/96/69/88/753966988.db2.gz INWXKLFTDVDRRP-JGVFFNPUSA-N 0 3 284.234 1.079 10 5 CDBEHN CC(COC(=O)CCn1cc(Cl)cn1)[N+](=O)[O-] ZINC000813107046 755199920 /nfs/dbraw/zinc/19/99/20/755199920.db2.gz LCOHDVDUAKOWEY-ZETCQYMHSA-N 0 3 261.665 1.135 10 5 CDBEHN C[C@H](NCCN(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872071399 755702697 /nfs/dbraw/zinc/70/26/97/755702697.db2.gz OMNGVZZFJCHRSZ-VIFPVBQESA-N 0 3 255.293 1.946 10 5 CDBEHN CO[C@@H]1CCC[C@H](CC(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813102172 756051724 /nfs/dbraw/zinc/05/17/24/756051724.db2.gz CDLXULCUJSGICC-OUAUKWLOSA-N 0 3 259.302 1.790 10 5 CDBEHN CSC[C@@H](O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000872230993 756284020 /nfs/dbraw/zinc/28/40/20/756284020.db2.gz BXJNJMPZENHKJY-NSHDSACASA-N 0 3 270.354 1.717 10 5 CDBEHN CCN(C)C(=O)c1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813105301 756835489 /nfs/dbraw/zinc/83/54/89/756835489.db2.gz LNSIWDHUHXPDAA-JTQLQIEISA-N 0 3 294.307 1.601 10 5 CDBEHN CC(COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)[N+](=O)[O-] ZINC000813109050 758176021 /nfs/dbraw/zinc/17/60/21/758176021.db2.gz NTINPRSSYFJSAN-GHMZBOCLSA-N 0 3 298.339 1.376 10 5 CDBEHN Cc1ccc(N2CC(N[C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001612979220 1165527327 /nfs/dbraw/zinc/52/73/27/1165527327.db2.gz QYXARQLLDJGINF-NSHDSACASA-N 0 3 277.324 1.470 10 5 CDBEHN CN1C[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590011092 342519800 /nfs/dbraw/zinc/51/98/00/342519800.db2.gz HKUMDWYKWZKUJT-TZMCWYRMSA-N 0 3 261.325 1.731 10 5 CDBEHN C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@H](C)N1C ZINC000590146310 342522953 /nfs/dbraw/zinc/52/29/53/342522953.db2.gz WRZYZONTKQNASZ-AOOOYVTPSA-N 0 3 294.355 1.198 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CN)C(F)(F)F)c1 ZINC000401708015 342614440 /nfs/dbraw/zinc/61/44/40/342614440.db2.gz CDDKDBRAQNBNHE-VIFPVBQESA-N 0 3 291.229 1.523 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@]1(C)CCC(=O)N1 ZINC000453585560 252327827 /nfs/dbraw/zinc/32/78/27/252327827.db2.gz GVAQNDOSBNIVCJ-CQSZACIVSA-N 0 3 277.324 1.662 10 5 CDBEHN COCCCN1CCC(Nc2ccncc2[N+](=O)[O-])CC1 ZINC000066812409 342207319 /nfs/dbraw/zinc/20/73/19/342207319.db2.gz MKEFGCNNIKDONJ-UHFFFAOYSA-N 0 3 294.355 1.903 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1C[C@@H](C(N)=O)C1 ZINC000593670889 342820754 /nfs/dbraw/zinc/82/07/54/342820754.db2.gz ZDTQKTWMWAVLJY-PHIMTYICSA-N 0 3 263.297 1.257 10 5 CDBEHN COCCN1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000078377723 342336283 /nfs/dbraw/zinc/33/62/83/342336283.db2.gz IDEOFDDTSNDVSS-UHFFFAOYSA-N 0 3 280.328 1.148 10 5 CDBEHN N[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[C@H]1F ZINC000596104469 343228287 /nfs/dbraw/zinc/22/82/87/343228287.db2.gz FIBROJMDWZAQGV-UNIPXTFRSA-N 0 3 279.315 1.979 10 5 CDBEHN CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CCN(CC)C1 ZINC000598040226 343703343 /nfs/dbraw/zinc/70/33/43/343703343.db2.gz FBOTYVKPLARMLW-SNVBAGLBSA-N 0 3 280.328 1.479 10 5 CDBEHN CC(C)(F)CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000601967424 344298861 /nfs/dbraw/zinc/29/88/61/344298861.db2.gz IRTDDTZSRHCIDO-NSHDSACASA-N 0 3 286.303 1.672 10 5 CDBEHN Cn1cc(CN[C@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])n1 ZINC000602839855 344621186 /nfs/dbraw/zinc/62/11/86/344621186.db2.gz JLRHZRVMMXFJDU-MIMYLULJSA-N 0 3 250.302 1.607 10 5 CDBEHN Cc1c(CC(=O)N[C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000610969997 346559317 /nfs/dbraw/zinc/55/93/17/346559317.db2.gz FCOUVGGZWLNSJC-ZDUSSCGKSA-N 0 3 291.351 1.656 10 5 CDBEHN Cc1nc(N2CCC[C@@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000268604736 302598934 /nfs/dbraw/zinc/59/89/34/302598934.db2.gz KQYQLKNPHGKZLD-LLVKDONJSA-N 0 3 264.329 1.829 10 5 CDBEHN Cc1c(CN(CCO)[C@H]2CCO[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331164386 356999590 /nfs/dbraw/zinc/99/95/90/356999590.db2.gz LVQVNGUBHXODLG-DOMZBBRYSA-N 0 3 294.351 1.875 10 5 CDBEHN CC(=O)c1ccc(N2CC[C@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000062965970 358760254 /nfs/dbraw/zinc/76/02/54/358760254.db2.gz KQFXHPXAJAWKEX-LBPRGKRZSA-N 0 3 277.324 1.938 10 5 CDBEHN C[C@H](CO)[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000450738926 358995093 /nfs/dbraw/zinc/99/50/93/358995093.db2.gz OYOQFEWKUSKJIF-BDAKNGLRSA-N 0 3 278.312 1.578 10 5 CDBEHN Cc1nc(N(C)[C@@H]2CCN(C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000297108875 200087853 /nfs/dbraw/zinc/08/78/53/200087853.db2.gz LQYZIFDSCJAHLE-GXSJLCMTSA-N 0 3 279.344 1.612 10 5 CDBEHN CN(C[C@@H]1CCCN(C)C1)c1cc(CO)ccc1[N+](=O)[O-] ZINC000302042514 201315961 /nfs/dbraw/zinc/31/59/61/201315961.db2.gz OCKSZSAMDOVCEP-CYBMUJFWSA-N 0 3 293.367 1.865 10 5 CDBEHN CN(C)C[C@H]1CCCN1c1ccc([N+](=O)[O-])cn1 ZINC000268207103 364456195 /nfs/dbraw/zinc/45/61/95/364456195.db2.gz SIZNHDKDFFSOKO-LLVKDONJSA-N 0 3 250.302 1.520 10 5 CDBEHN CO[C@]1(CNCc2ccc(C)c([N+](=O)[O-])c2)CCOC1 ZINC000122933159 373695908 /nfs/dbraw/zinc/69/59/08/373695908.db2.gz OHDWBVQQYRTWCJ-AWEZNQCLSA-N 0 3 280.324 1.798 10 5 CDBEHN O=[N+]([O-])c1cc(Cl)ccc1OC[C@@H]1CNCCO1 ZINC000080745191 374478479 /nfs/dbraw/zinc/47/84/79/374478479.db2.gz GPTYIRXYEJEOOP-VIFPVBQESA-N 0 3 272.688 1.615 10 5 CDBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H]1CCCNC1=O ZINC000449436757 374810289 /nfs/dbraw/zinc/81/02/89/374810289.db2.gz JNSAWYNXSOBPGL-ZHZWZMEUSA-N 0 3 289.335 1.866 10 5 CDBEHN CC1CCN(C[C@H](O)CNc2ccncc2[N+](=O)[O-])CC1 ZINC000067373336 377037499 /nfs/dbraw/zinc/03/74/99/377037499.db2.gz DJBQOJFAWXDNAF-GFCCVEGCSA-N 0 3 294.355 1.495 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CN(C)C[C@@H]1C ZINC000344219220 379330333 /nfs/dbraw/zinc/33/03/33/379330333.db2.gz NTIVUBAOMQJBSH-GWCFXTLKSA-N 0 3 279.340 1.643 10 5 CDBEHN CC(C)COC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174830912 379588243 /nfs/dbraw/zinc/58/82/43/379588243.db2.gz IHHOXYONHFOMBN-UHFFFAOYSA-N 0 3 296.371 1.928 10 5 CDBEHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000450379968 251254014 /nfs/dbraw/zinc/25/40/14/251254014.db2.gz QNLJUUQLKPOPKT-CABZTGNLSA-N 0 3 262.313 1.884 10 5 CDBEHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H]2C2CC2)c1 ZINC000453011438 252250236 /nfs/dbraw/zinc/25/02/36/252250236.db2.gz HVPGLJUSUWGOMX-HIFRSBDPSA-N 0 3 292.335 1.819 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNCC(C)(C)OCCO ZINC000288361609 197059190 /nfs/dbraw/zinc/05/91/90/197059190.db2.gz DAJAEVDMYOCMFF-UHFFFAOYSA-N 0 3 282.340 1.780 10 5 CDBEHN O=C1[C@H](NC2CC2)CCCN1c1ccc(F)c([N+](=O)[O-])c1 ZINC000071039960 134957448 /nfs/dbraw/zinc/95/74/48/134957448.db2.gz RKSUHQYXTIFJRF-GFCCVEGCSA-N 0 3 293.298 1.981 10 5 CDBEHN CNC(=O)[C@@H](C)CN(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352541078 155258674 /nfs/dbraw/zinc/25/86/74/155258674.db2.gz TXWPLAKHTBLFQZ-JTQLQIEISA-N 0 3 295.339 1.417 10 5 CDBEHN CN(CCN1CCCC1)c1ccncc1[N+](=O)[O-] ZINC000343525309 152210775 /nfs/dbraw/zinc/21/07/75/152210775.db2.gz WHUXWPFTEXWXAE-UHFFFAOYSA-N 0 3 250.302 1.522 10 5 CDBEHN CCN1CCC[C@H](Nc2c([N+](=O)[O-])ncn2C)C1 ZINC000040503167 174300191 /nfs/dbraw/zinc/30/01/91/174300191.db2.gz OGXGQQDHEQVXMF-VIFPVBQESA-N 0 3 253.306 1.225 10 5 CDBEHN CO[C@H]1CN[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000040633252 174359362 /nfs/dbraw/zinc/35/93/62/174359362.db2.gz AWROOPINOXGMNG-PWSUYJOCSA-N 0 3 279.296 1.219 10 5 CDBEHN Cn1ccnc1CCNCc1cccc([N+](=O)[O-])c1 ZINC000040638902 174362827 /nfs/dbraw/zinc/36/28/27/174362827.db2.gz FJECUOHOQHGNRR-UHFFFAOYSA-N 0 3 260.297 1.661 10 5 CDBEHN CN1CCC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CC(=O)N3)C1 ZINC000040673369 174372478 /nfs/dbraw/zinc/37/24/78/174372478.db2.gz XSWIKZVKCGLTJD-JTQLQIEISA-N 0 3 290.323 1.596 10 5 CDBEHN CCN[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300774 175001467 /nfs/dbraw/zinc/00/14/67/175001467.db2.gz AQCRUSVHSZOWNI-DGCLKSJQSA-N 0 3 298.364 1.680 10 5 CDBEHN CCNCC(=O)Nc1ccc(CC)c([N+](=O)[O-])c1 ZINC000044649150 175224063 /nfs/dbraw/zinc/22/40/63/175224063.db2.gz AFZGAMKLSRSMAP-UHFFFAOYSA-N 0 3 251.286 1.705 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(O[C@H]2CCN(C)C2=O)c1 ZINC000071183103 176058556 /nfs/dbraw/zinc/05/85/56/176058556.db2.gz AAGQNKHKILXFQI-LBPRGKRZSA-N 0 3 293.323 1.314 10 5 CDBEHN CN1C[C@H](NCc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000077900276 177308765 /nfs/dbraw/zinc/30/87/65/177308765.db2.gz WGWQAGGNZFTWML-LLVKDONJSA-N 0 3 263.297 1.305 10 5 CDBEHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554861014 290195078 /nfs/dbraw/zinc/19/50/78/290195078.db2.gz ZXYBXBNPKJLVIN-NXEZZACHSA-N 0 3 295.343 1.311 10 5 CDBEHN CC(C)NCc1ccc([N+](=O)[O-])c(OCCC(N)=O)c1 ZINC000050517140 519727392 /nfs/dbraw/zinc/72/73/92/519727392.db2.gz SKZXFTGPYWBDAO-UHFFFAOYSA-N 0 3 281.312 1.347 10 5 CDBEHN CCCN(CCN(C)C)c1ncnc(Cl)c1[N+](=O)[O-] ZINC000050455910 521658424 /nfs/dbraw/zinc/65/84/24/521658424.db2.gz TWAGDXPUAKETFC-UHFFFAOYSA-N 0 3 287.751 1.816 10 5 CDBEHN CC(C)N[C@H](CCOc1ccccc1[N+](=O)[O-])C(N)=O ZINC000062539562 519738523 /nfs/dbraw/zinc/73/85/23/519738523.db2.gz ZTQMYXJZHBEOOY-SNVBAGLBSA-N 0 3 281.312 1.216 10 5 CDBEHN CCN1CCC[C@@H]1CNC(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050699705 521637359 /nfs/dbraw/zinc/63/73/59/521637359.db2.gz DMOMAHPZWHPLNU-LLVKDONJSA-N 0 3 292.339 1.391 10 5 CDBEHN CCCN(CCO)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050815776 521667180 /nfs/dbraw/zinc/66/71/80/521667180.db2.gz NBWVLPAKQBFNES-UHFFFAOYSA-N 0 3 253.302 1.381 10 5 CDBEHN CN(C)C[C@@H]1CCCN1c1ccc(CO)cc1[N+](=O)[O-] ZINC000061645456 521843515 /nfs/dbraw/zinc/84/35/15/521843515.db2.gz GXQPDZIKZMLOKY-LBPRGKRZSA-N 0 3 279.340 1.618 10 5 CDBEHN COc1cc(CN)c([N+](=O)[O-])cc1OC1CCOCC1 ZINC000069288894 522362129 /nfs/dbraw/zinc/36/21/29/522362129.db2.gz GPUPMNMGHKIVRV-UHFFFAOYSA-N 0 3 282.296 1.620 10 5 CDBEHN CNc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN(C)C2)c1 ZINC000050770084 522641358 /nfs/dbraw/zinc/64/13/58/522641358.db2.gz WGUSTSVYUHGKBE-SNVBAGLBSA-N 0 3 292.339 1.318 10 5 CDBEHN CNc1ccc([N+](=O)[O-])cc1CN1CCCN(C)CC1 ZINC000050812380 522644553 /nfs/dbraw/zinc/64/45/53/522644553.db2.gz NNEDRZVTDGNUPG-UHFFFAOYSA-N 0 3 278.356 1.774 10 5 CDBEHN COC(=O)CCCOc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516236 523030463 /nfs/dbraw/zinc/03/04/63/523030463.db2.gz VQSGTUWZXQBYGI-UHFFFAOYSA-N 0 3 268.269 1.386 10 5 CDBEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000069132923 525100747 /nfs/dbraw/zinc/10/07/47/525100747.db2.gz SLUOHPMYUZBXOD-DTORHVGOSA-N 0 3 281.287 1.556 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@]1(O)CCOC1 ZINC000183619563 525565538 /nfs/dbraw/zinc/56/55/38/525565538.db2.gz VVXTXPBNTDZMMH-ZDUSSCGKSA-N 0 3 266.297 1.144 10 5 CDBEHN O=[N+]([O-])c1cnccc1NC[C@H]1CCCCN1C1CC1 ZINC000340871194 527322919 /nfs/dbraw/zinc/32/29/19/527322919.db2.gz OKNOCLXNIZFJML-GFCCVEGCSA-N 0 3 276.340 1.841 10 5 CDBEHN O=[N+]([O-])c1cc(Cl)ccc1CNCCN1CCOCC1 ZINC000050443215 527333258 /nfs/dbraw/zinc/33/32/58/527333258.db2.gz AOLOEHCEIRPXAG-UHFFFAOYSA-N 0 3 299.758 1.670 10 5 CDBEHN CC(C)N(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCOC1 ZINC000291783723 528917115 /nfs/dbraw/zinc/91/71/15/528917115.db2.gz MJXSFVUKELZCQC-CYBMUJFWSA-N 0 3 295.339 1.256 10 5 CDBEHN CN1CCC[C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000729919515 574827762 /nfs/dbraw/zinc/82/77/62/574827762.db2.gz PHFHVESOSHREGI-OYVUYXNMSA-N 0 3 289.335 1.818 10 5 CDBEHN COC1CCC(CC(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813110410 617345633 /nfs/dbraw/zinc/34/56/33/617345633.db2.gz AAEXWGJGWVUHIW-KPPDAEKUSA-N 0 3 259.302 1.790 10 5 CDBEHN Cc1c(C(=O)N[C@H]2CCN(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000928455937 619120203 /nfs/dbraw/zinc/12/02/03/619120203.db2.gz QPZTYAPMFZKPJS-JQWIXIFHSA-N 0 3 277.324 1.726 10 5 CDBEHN C[C@@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000902926182 625641243 /nfs/dbraw/zinc/64/12/43/625641243.db2.gz AGSQDKXKEUGWON-KCJUWKMLSA-N 0 3 296.302 1.948 10 5 CDBEHN CC(COC(=O)c1nc2c(s1)CCC2)[N+](=O)[O-] ZINC000842363285 772059055 /nfs/dbraw/zinc/05/90/55/772059055.db2.gz FBBFTEXDLVVEDN-LURJTMIESA-N 0 3 256.283 1.454 10 5 CDBEHN Cc1cnc(N[C@@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000719620809 769617356 /nfs/dbraw/zinc/61/73/56/769617356.db2.gz AMEZQLHDSMRMMB-VHSXEESVSA-N 0 3 250.302 1.803 10 5 CDBEHN CC(COC(=O)c1cn(C)nc1C(F)F)[N+](=O)[O-] ZINC000813110046 769815046 /nfs/dbraw/zinc/81/50/46/769815046.db2.gz ZBVRSXOZKVNAGP-YFKPBYRVSA-N 0 3 263.200 1.180 10 5 CDBEHN COc1ccc(O[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111546 771290823 /nfs/dbraw/zinc/29/08/23/771290823.db2.gz UNZFQGNBGYMVIL-UWVGGRQHSA-N 0 3 283.280 1.671 10 5 CDBEHN C[C@H]1[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000928456816 772216388 /nfs/dbraw/zinc/21/63/88/772216388.db2.gz SKXBSLDBLALBPU-CMPLNLGQSA-N 0 3 277.324 1.346 10 5 CDBEHN CC(COC(=O)[C@@H](C)Oc1ccc(F)cc1)[N+](=O)[O-] ZINC000813110681 772721292 /nfs/dbraw/zinc/72/12/92/772721292.db2.gz HKWWOUFYQLCQAH-RKDXNWHRSA-N 0 3 271.244 1.801 10 5 CDBEHN COCc1cc([N+](=O)[O-])ccc1N(C)CC1CN(C)C1 ZINC000853825375 773468823 /nfs/dbraw/zinc/46/88/23/773468823.db2.gz LOODEYFALDAFLG-UHFFFAOYSA-N 0 3 279.340 1.739 10 5 CDBEHN Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)n1 ZINC001436344896 962198960 /nfs/dbraw/zinc/19/89/60/962198960.db2.gz ZNXDOGVBVXYICK-MFKMUULPSA-N 0 3 290.323 1.074 10 5 CDBEHN C[C@H]1[C@@H](O)CCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001654759832 1171634544 /nfs/dbraw/zinc/63/45/44/1171634544.db2.gz QJLQREUZNGJHJU-LEWSCRJBSA-N 0 3 280.324 1.473 10 5 CDBEHN COc1cc(CN[C@@H]2C[C@@H](C)O[C@H]2C)c([N+](=O)[O-])cc1O ZINC000601149951 342482400 /nfs/dbraw/zinc/48/24/00/342482400.db2.gz UHXASANSMKQDDJ-WCABBAIRSA-N 0 3 296.323 1.965 10 5 CDBEHN CN1CC[C@@]2(CCN(c3ccncc3[N+](=O)[O-])C2)C1 ZINC000589879239 342516131 /nfs/dbraw/zinc/51/61/31/342516131.db2.gz SJHZFCRDENSQMW-CYBMUJFWSA-N 0 3 262.313 1.522 10 5 CDBEHN CN1C[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000590011695 342519809 /nfs/dbraw/zinc/51/98/09/342519809.db2.gz MKBCRSWGPWJNPR-SMDDNHRTSA-N 0 3 279.315 1.870 10 5 CDBEHN CN1C[C@@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590045832 342520555 /nfs/dbraw/zinc/52/05/55/342520555.db2.gz XWGPRRDQEALXGS-GXTWGEPZSA-N 0 3 289.335 1.300 10 5 CDBEHN CC[C@@H]1CN(c2ncc(C)cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000599181784 343983433 /nfs/dbraw/zinc/98/34/33/343983433.db2.gz WAZLGVKIOYOPPV-WDEREUQCSA-N 0 3 264.329 1.875 10 5 CDBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1sccc1[N+](=O)[O-] ZINC000591985802 342659521 /nfs/dbraw/zinc/65/95/21/342659521.db2.gz SMAHNLALWRJHFV-SECBINFHSA-N 0 3 298.368 1.213 10 5 CDBEHN C/C=C\CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000600755419 342247596 /nfs/dbraw/zinc/24/75/96/342247596.db2.gz JZTMTULVTHEQEV-OTDNITJGSA-N 0 3 266.297 1.500 10 5 CDBEHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCC[C@]1(O)CCOC1 ZINC000594507383 342914752 /nfs/dbraw/zinc/91/47/52/342914752.db2.gz LCKCVKLNRCSCRA-HIFRSBDPSA-N 0 3 292.335 1.713 10 5 CDBEHN O=[N+]([O-])c1ccc(-c2cnn(C[C@@H]3CNCCO3)c2)cc1 ZINC000594699531 342944093 /nfs/dbraw/zinc/94/40/93/342944093.db2.gz YZTIAPPSWBQWFT-AWEZNQCLSA-N 0 3 288.307 1.447 10 5 CDBEHN O=C1CC[C@@H](CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)N1 ZINC000595092735 343003628 /nfs/dbraw/zinc/00/36/28/343003628.db2.gz ZWWFWJAKKWSZFI-FZMZJTMJSA-N 0 3 289.335 1.840 10 5 CDBEHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@]1(O)CCCOC1 ZINC000595474876 343063821 /nfs/dbraw/zinc/06/38/21/343063821.db2.gz GNIOWRCERUMTDO-OAHLLOKOSA-N 0 3 294.351 1.611 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](CCF)C2)n1 ZINC000595756862 343142692 /nfs/dbraw/zinc/14/26/92/343142692.db2.gz YKDQXKYPAUNMPB-NSHDSACASA-N 0 3 270.308 1.863 10 5 CDBEHN O=[N+]([O-])c1cnc(NC[C@H]2CCN2C2CCCC2)nc1 ZINC000599163115 343972239 /nfs/dbraw/zinc/97/22/39/343972239.db2.gz AZXKHFMBHAUTBB-LLVKDONJSA-N 0 3 277.328 1.236 10 5 CDBEHN NC(=O)[C@H]1C[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000599070376 343948812 /nfs/dbraw/zinc/94/88/12/343948812.db2.gz MPASQFXBOZMEAC-AUTRQRHGSA-N 0 3 275.308 1.436 10 5 CDBEHN O=[N+]([O-])c1cnc2c(c1)CN(C[C@H]1CCCOC1)CC2 ZINC000542545490 362458412 /nfs/dbraw/zinc/45/84/12/362458412.db2.gz QTQDMXYBQKQZBI-LLVKDONJSA-N 0 3 277.324 1.775 10 5 CDBEHN CC[C@H](NCCc1nnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000611327465 346749140 /nfs/dbraw/zinc/74/91/40/346749140.db2.gz DXWFGFBVSWAOBU-LBPRGKRZSA-N 0 3 290.327 1.402 10 5 CDBEHN COC[C@](C)(CO)NCc1ccc([N+](=O)[O-])cc1C ZINC000612582586 347217130 /nfs/dbraw/zinc/21/71/30/347217130.db2.gz JCTBAFQAUKCQGY-ZDUSSCGKSA-N 0 3 268.313 1.390 10 5 CDBEHN CCN1CCO[C@@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000252954332 350479622 /nfs/dbraw/zinc/47/96/22/350479622.db2.gz HPVTUHJHYSWWKH-DOMZBBRYSA-N 0 3 293.367 1.966 10 5 CDBEHN CCN1CCO[C@@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000134618467 356361166 /nfs/dbraw/zinc/36/11/66/356361166.db2.gz HPVTUHJHYSWWKH-WFASDCNBSA-N 0 3 293.367 1.966 10 5 CDBEHN Cc1c([C@H](C)NC[C@@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC000180488283 189258504 /nfs/dbraw/zinc/25/85/04/189258504.db2.gz MBZBJQTZPILAKA-QWHCGFSZSA-N 0 3 293.367 1.884 10 5 CDBEHN Cc1sc(C(=O)NCC2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000271913298 367036243 /nfs/dbraw/zinc/03/62/43/367036243.db2.gz JAZPCYXCJWERQZ-UHFFFAOYSA-N 0 3 295.364 1.956 10 5 CDBEHN COc1ccc(CNC[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000089168707 370228776 /nfs/dbraw/zinc/22/87/76/370228776.db2.gz FMGLWHSGVOVAAQ-AAEUAGOBSA-N 0 3 280.324 1.854 10 5 CDBEHN C[C@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531878642 374513588 /nfs/dbraw/zinc/51/35/88/374513588.db2.gz WLAYNOYGUUWFRB-NSHDSACASA-N 0 3 292.339 1.594 10 5 CDBEHN CNC(=O)CCCN(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352769586 375537190 /nfs/dbraw/zinc/53/71/90/375537190.db2.gz NPADXEDFIMMRID-UHFFFAOYSA-N 0 3 295.339 1.561 10 5 CDBEHN COc1cccc(C(=O)N2CC[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000192514397 378199280 /nfs/dbraw/zinc/19/92/80/378199280.db2.gz YYSCUHSQTKBYEJ-SNVBAGLBSA-N 0 3 293.323 1.380 10 5 CDBEHN CNC(=O)[C@@]1(C)CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000281173939 195134683 /nfs/dbraw/zinc/13/46/83/195134683.db2.gz QXMGYFRRTNBKCH-HNNXBMFYSA-N 0 3 291.351 1.861 10 5 CDBEHN COc1ccc(CNC[C@@H](O)COC(C)C)cc1[N+](=O)[O-] ZINC000550365828 390467418 /nfs/dbraw/zinc/46/74/18/390467418.db2.gz RWRMFILPILXRLJ-GFCCVEGCSA-N 0 3 298.339 1.479 10 5 CDBEHN COc1cc(CN[C@H]2C[C@H](O)C2(C)C)ccc1[N+](=O)[O-] ZINC000574410253 391149789 /nfs/dbraw/zinc/14/97/89/391149789.db2.gz DITLXESWSCHVMJ-STQMWFEESA-N 0 3 280.324 1.852 10 5 CDBEHN Cc1cnc(N2CCN3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000266177672 391477108 /nfs/dbraw/zinc/47/71/08/391477108.db2.gz BBGSCVGGVSJJQE-LLVKDONJSA-N 0 3 262.313 1.583 10 5 CDBEHN O=[N+]([O-])c1cnc2c(c1)CN(CCc1cn[nH]c1)CC2 ZINC000459390002 392429328 /nfs/dbraw/zinc/42/93/28/392429328.db2.gz ASQORWQFSWRSEH-UHFFFAOYSA-N 0 3 273.296 1.314 10 5 CDBEHN CCn1nncc1CNCCc1cccc([N+](=O)[O-])c1 ZINC000417958708 392876320 /nfs/dbraw/zinc/87/63/20/392876320.db2.gz VNAOYEZGXJKQSM-UHFFFAOYSA-N 0 3 275.312 1.539 10 5 CDBEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286008774 393039557 /nfs/dbraw/zinc/03/95/57/393039557.db2.gz HZARCFASCHABQY-UWVGGRQHSA-N 0 3 293.327 1.017 10 5 CDBEHN CCN(CCC(=O)OC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352425759 155180869 /nfs/dbraw/zinc/18/08/69/155180869.db2.gz NEYJVNWWJHMVDE-UHFFFAOYSA-N 0 3 296.323 1.988 10 5 CDBEHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000343592726 152236507 /nfs/dbraw/zinc/23/65/07/152236507.db2.gz VLXMAGTXUTWGLQ-AOOOYVTPSA-N 0 3 295.343 1.311 10 5 CDBEHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000352246963 155053577 /nfs/dbraw/zinc/05/35/77/155053577.db2.gz UUUFGDXANXLYDV-AOOOYVTPSA-N 0 3 295.343 1.311 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[C@@H](O)C1 ZINC000037163607 172998669 /nfs/dbraw/zinc/99/86/69/172998669.db2.gz IAQOXCLKYSXNGR-VXGBXAGGSA-N 0 3 250.298 1.988 10 5 CDBEHN O=C(CN1CCNCC1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000037395752 173176123 /nfs/dbraw/zinc/17/61/23/173176123.db2.gz QSXSSEXEHVJTQJ-UHFFFAOYSA-N 0 3 298.730 1.092 10 5 CDBEHN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCN2CCC[C@H]2C1 ZINC000038107494 174121485 /nfs/dbraw/zinc/12/14/85/174121485.db2.gz SXAPPFLWYAMKBP-NSHDSACASA-N 0 3 293.298 1.654 10 5 CDBEHN CN1CCCC[C@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000044563174 175206706 /nfs/dbraw/zinc/20/67/06/175206706.db2.gz OQCPVJIVEZFCTP-NSHDSACASA-N 0 3 292.339 1.590 10 5 CDBEHN O=C1[C@@H](NC2CC2)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000071042398 176028759 /nfs/dbraw/zinc/02/87/59/176028759.db2.gz RFOQUMWZZVGULF-ZDUSSCGKSA-N 0 3 275.308 1.448 10 5 CDBEHN Cn1nccc1CNCCc1ccccc1[N+](=O)[O-] ZINC000071333736 176126448 /nfs/dbraw/zinc/12/64/48/176126448.db2.gz DCTULLMAOIJGMT-UHFFFAOYSA-N 0 3 260.297 1.661 10 5 CDBEHN CC[C@H](CO)NCc1ccc(NC)c([N+](=O)[O-])c1 ZINC000071792486 176263584 /nfs/dbraw/zinc/26/35/84/176263584.db2.gz QJIIAXLAETVQIV-SNVBAGLBSA-N 0 3 253.302 1.497 10 5 CDBEHN O=[N+]([O-])c1cc(Cl)cnc1N1CCN2CCC[C@H]2C1 ZINC000246365594 280274584 /nfs/dbraw/zinc/27/45/84/280274584.db2.gz YQWJQLMHUHJPRC-JTQLQIEISA-N 0 3 282.731 1.928 10 5 CDBEHN COC[C@H](C)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000527356149 281131064 /nfs/dbraw/zinc/13/10/64/281131064.db2.gz ZLKLTMUOBSTQOR-GFCCVEGCSA-N 0 3 294.355 1.394 10 5 CDBEHN C[C@@H](Cn1cncn1)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579004122 324081000 /nfs/dbraw/zinc/08/10/00/324081000.db2.gz FENUAMQYDDPEBQ-GWCFXTLKSA-N 0 3 287.323 1.852 10 5 CDBEHN CCN[C@](C)(COc1c(C)cc(C)cc1[N+](=O)[O-])C(N)=O ZINC000050442023 520234614 /nfs/dbraw/zinc/23/46/14/520234614.db2.gz LKXRQSISEIFVFK-CQSZACIVSA-N 0 3 295.339 1.444 10 5 CDBEHN CCN1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000157333826 521623667 /nfs/dbraw/zinc/62/36/67/521623667.db2.gz IMBRDHVKZUJXSO-SNVBAGLBSA-N 0 3 292.339 1.391 10 5 CDBEHN CCNC(=O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000052926306 521735797 /nfs/dbraw/zinc/73/57/97/521735797.db2.gz IQRIYSZIYHXEFI-UHFFFAOYSA-N 0 3 251.286 1.211 10 5 CDBEHN COC[C@](C)(CCO)NCc1ccc([N+](=O)[O-])cc1C ZINC000183540345 522881330 /nfs/dbraw/zinc/88/13/30/522881330.db2.gz XPECWEJKJMAJGS-AWEZNQCLSA-N 0 3 282.340 1.780 10 5 CDBEHN Cc1c(C(=O)N2[C@H](C)CNC[C@H]2C)cccc1[N+](=O)[O-] ZINC000069132819 525600362 /nfs/dbraw/zinc/60/03/62/525600362.db2.gz NEBGWDNJBIXJJE-NXEZZACHSA-N 0 3 277.324 1.726 10 5 CDBEHN O=C1NCCC[C@@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000338709955 527065317 /nfs/dbraw/zinc/06/53/17/527065317.db2.gz VFZIWPAMQQHMOM-RYBZSIHZSA-N 0 3 275.308 1.476 10 5 CDBEHN CN(C)C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000105926918 535949100 /nfs/dbraw/zinc/94/91/00/535949100.db2.gz BGXIJUIMZIYECR-CYBMUJFWSA-N 0 3 279.340 1.357 10 5 CDBEHN Cn1cc([N+](=O)[O-])c(NC[C@H]2CCCCN2C)n1 ZINC000231668139 1178174735 /nfs/dbraw/zinc/17/47/35/1178174735.db2.gz VHZQDNZTEHFCDY-SECBINFHSA-N 0 3 253.306 1.225 10 5 CDBEHN CC(COC(=O)C[C@H](C)c1ccncc1)[N+](=O)[O-] ZINC000813115588 773801489 /nfs/dbraw/zinc/80/14/89/773801489.db2.gz WAIOBYLUTSAUSX-UWVGGRQHSA-N 0 3 252.270 1.784 10 5 CDBEHN CC[C@H](C)n1nc(C(=O)OCC(C)[N+](=O)[O-])cc1C ZINC000813113295 774899647 /nfs/dbraw/zinc/89/96/47/774899647.db2.gz PDADVJBGHFDQLV-WCBMZHEXSA-N 0 3 269.301 1.985 10 5 CDBEHN C[C@@H]1C[C@H](CO)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000860087303 776108882 /nfs/dbraw/zinc/10/88/82/776108882.db2.gz DJSAYELUQJQPHR-JMSVASOKSA-N 0 3 294.351 1.721 10 5 CDBEHN CC(C)[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CCN1C ZINC000866218830 776218349 /nfs/dbraw/zinc/21/83/49/776218349.db2.gz ZHAWRFYVQGPHPZ-CQSZACIVSA-N 0 3 278.356 1.953 10 5 CDBEHN O=[N+]([O-])c1c(Cl)cccc1OC[C@H]1CNCCO1 ZINC000164034309 776909784 /nfs/dbraw/zinc/90/97/84/776909784.db2.gz JXWLFUHMSXTEEM-MRVPVSSYSA-N 0 3 272.688 1.615 10 5 CDBEHN CCOC(=O)C1(CC(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000813112779 778007314 /nfs/dbraw/zinc/00/73/14/778007314.db2.gz LDEHCVMUYOZHET-VIFPVBQESA-N 0 3 273.285 1.318 10 5 CDBEHN CC(COC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813112398 778031096 /nfs/dbraw/zinc/03/10/96/778031096.db2.gz PULMIHRZDPCMRJ-BDAKNGLRSA-N 0 3 282.252 1.907 10 5 CDBEHN C[C@@H](C1CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000777684393 778866972 /nfs/dbraw/zinc/86/69/72/778866972.db2.gz UGYMTRPQONUJNE-NSHDSACASA-N 0 3 276.340 1.910 10 5 CDBEHN COCCC1(C(=O)OCC(C)[N+](=O)[O-])CCCC1 ZINC000813114530 779137475 /nfs/dbraw/zinc/13/74/75/779137475.db2.gz SLBCVVQKGWYKFI-JTQLQIEISA-N 0 3 259.302 1.792 10 5 CDBEHN CC(COC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C)[N+](=O)[O-] ZINC000813099864 779440790 /nfs/dbraw/zinc/44/07/90/779440790.db2.gz FQPGJOUCNFGJOR-UWVGGRQHSA-N 0 3 286.328 1.232 10 5 CDBEHN C[C@@H](NCCOCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000353979673 1167335915 /nfs/dbraw/zinc/33/59/15/1167335915.db2.gz RRUCBJPZUWDPBK-LLVKDONJSA-N 0 3 268.313 1.644 10 5 CDBEHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN1C ZINC000843798139 908897199 /nfs/dbraw/zinc/89/71/99/908897199.db2.gz QUIKWIJLZPVLBX-JTQLQIEISA-N 0 3 295.314 1.866 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(N(C)CCN(C)CCO)c1 ZINC000691341662 919097836 /nfs/dbraw/zinc/09/78/36/919097836.db2.gz BRXCGUKWEZZEJC-UHFFFAOYSA-N 0 3 267.329 1.264 10 5 CDBEHN Cc1c(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590043747 342520544 /nfs/dbraw/zinc/52/05/44/342520544.db2.gz FPTPTXAGTKSCCD-FZMZJTMJSA-N 0 3 289.335 1.679 10 5 CDBEHN Cc1ccc(CN2CCO[C@@H](CN(C)C)C2)cc1[N+](=O)[O-] ZINC000128169062 361786877 /nfs/dbraw/zinc/78/68/77/361786877.db2.gz YPAXKXPMNDMQNQ-AWEZNQCLSA-N 0 3 293.367 1.666 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CCCNC1=O ZINC000590971961 342612316 /nfs/dbraw/zinc/61/23/16/342612316.db2.gz ZYMFMKNEEGPWPU-LBPRGKRZSA-N 0 3 277.324 1.519 10 5 CDBEHN CCN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCOC1 ZINC000593070917 342762355 /nfs/dbraw/zinc/76/23/55/342762355.db2.gz YEQTZKQNLKLUIR-LLVKDONJSA-N 0 3 268.317 1.292 10 5 CDBEHN CO[C@](C)(CO)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000594510809 342912727 /nfs/dbraw/zinc/91/27/27/342912727.db2.gz LEZUTUNNIYSWBB-MFKMUULPSA-N 0 3 268.313 1.643 10 5 CDBEHN CO[C@H](CNCc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000594954365 342983062 /nfs/dbraw/zinc/98/30/62/342983062.db2.gz KSPCDMJMGDTUBN-TZMCWYRMSA-N 0 3 280.324 1.736 10 5 CDBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CCC(=O)N1 ZINC000594988954 342993938 /nfs/dbraw/zinc/99/39/38/342993938.db2.gz SGNPRUYZUDWIGW-YLBKJLTLSA-N 0 3 289.335 1.866 10 5 CDBEHN C[C@H](NC[C@]1(O)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595413748 343051449 /nfs/dbraw/zinc/05/14/49/343051449.db2.gz GXTXTCGEEFRXEV-SMDDNHRTSA-N 0 3 280.324 1.787 10 5 CDBEHN CCN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000597946370 343676133 /nfs/dbraw/zinc/67/61/33/343676133.db2.gz PMYUXCKVHVHRQQ-CYBMUJFWSA-N 0 3 291.351 1.690 10 5 CDBEHN CC(C)(F)CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000601967423 344298590 /nfs/dbraw/zinc/29/85/90/344298590.db2.gz IRTDDTZSRHCIDO-LLVKDONJSA-N 0 3 286.303 1.672 10 5 CDBEHN COC[C@@](C)(CO)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000611479879 346798011 /nfs/dbraw/zinc/79/80/11/346798011.db2.gz KVXFYQZRIVDGGL-BRLPQQTGSA-N 0 3 280.324 1.595 10 5 CDBEHN Cc1noc(CCNCc2ccccc2[N+](=O)[O-])n1 ZINC000105470070 186058548 /nfs/dbraw/zinc/05/85/48/186058548.db2.gz ZIANJCJEMYULRR-UHFFFAOYSA-N 0 3 262.269 1.619 10 5 CDBEHN COC[C@H](C)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000189542794 366118107 /nfs/dbraw/zinc/11/81/07/366118107.db2.gz QKYIPNHYLVBKPD-CYBMUJFWSA-N 0 3 293.367 1.999 10 5 CDBEHN CCN1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000273636361 192241623 /nfs/dbraw/zinc/24/16/23/192241623.db2.gz RFMKDAAOHNSZIW-CMPLNLGQSA-N 0 3 279.344 1.551 10 5 CDBEHN COc1cc(CN[C@@H](C)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000450735900 358995169 /nfs/dbraw/zinc/99/51/69/358995169.db2.gz CQIMVDRMCJVMRR-ZJUUUORDSA-N 0 3 268.313 1.710 10 5 CDBEHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])nc2)CCN1C ZINC000090795248 360222171 /nfs/dbraw/zinc/22/21/71/360222171.db2.gz NFBBGNOTMHUSEU-ZJUUUORDSA-N 0 3 250.302 1.884 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C(=O)N(C)C)C1 ZINC000414503877 241234448 /nfs/dbraw/zinc/23/44/48/241234448.db2.gz XHBXYBZBVPSDAA-CYBMUJFWSA-N 0 3 291.351 1.813 10 5 CDBEHN O=[N+]([O-])c1ccc2nc(OCC3CC[NH2+]CC3)[n-]c2c1 ZINC000094772350 367010450 /nfs/dbraw/zinc/01/04/50/367010450.db2.gz LMKBCXBIHKWMNL-UHFFFAOYSA-N 0 3 276.296 1.850 10 5 CDBEHN O=[N+]([O-])c1ccc2[n-]c(OCC3CC[NH2+]CC3)nc2c1 ZINC000094772350 367010459 /nfs/dbraw/zinc/01/04/59/367010459.db2.gz LMKBCXBIHKWMNL-UHFFFAOYSA-N 0 3 276.296 1.850 10 5 CDBEHN CN(C)[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000170874797 370007463 /nfs/dbraw/zinc/00/74/63/370007463.db2.gz WULONIWAODTPOU-GFCCVEGCSA-N 0 3 278.312 1.763 10 5 CDBEHN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN2CCC1CC2 ZINC000190888246 373412568 /nfs/dbraw/zinc/41/25/68/373412568.db2.gz XCVXTRNZSNAFNV-UHFFFAOYSA-N 0 3 290.323 1.907 10 5 CDBEHN O=[N+]([O-])c1ccc2oc([S@@](=O)[C@H]3CCCNC3)nc2c1 ZINC000095092168 374868788 /nfs/dbraw/zinc/86/87/88/374868788.db2.gz ZAXHPKMMUXKBIB-GWNMQOMSSA-N 0 3 295.320 1.596 10 5 CDBEHN O=[N+]([O-])c1cccnc1[S@](=O)C[C@H]1CCCCN1 ZINC000095091883 285167452 /nfs/dbraw/zinc/16/74/52/285167452.db2.gz NERBZQKUQCJNRZ-LZVRBXCZSA-N 0 3 269.326 1.240 10 5 CDBEHN COc1cc(CNC2(CO)CCCC2)ccc1[N+](=O)[O-] ZINC000305788243 149163174 /nfs/dbraw/zinc/16/31/74/149163174.db2.gz ALKSUPOOGMIIMR-UHFFFAOYSA-N 0 3 280.324 1.998 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H](O)C1CC1 ZINC000348962076 154015249 /nfs/dbraw/zinc/01/52/49/154015249.db2.gz GRUUJFBMPVTRET-ZDUSSCGKSA-N 0 3 250.298 1.764 10 5 CDBEHN C[C@H](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N(C)C ZINC000358863835 158057433 /nfs/dbraw/zinc/05/74/33/158057433.db2.gz SFXXVRKNCQDXBF-MRVPVSSYSA-N 0 3 277.280 1.141 10 5 CDBEHN CN(C)C[C@H]1CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000362498513 159161369 /nfs/dbraw/zinc/16/13/69/159161369.db2.gz MLXONKHBHQEEQU-GFCCVEGCSA-N 0 3 295.314 1.900 10 5 CDBEHN CCCNCC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000044288024 175159849 /nfs/dbraw/zinc/15/98/49/175159849.db2.gz OXESTFBBMNHIGU-UHFFFAOYSA-N 0 3 281.312 1.932 10 5 CDBEHN CCN[C@H]1CCN(c2cc([N+](=O)[O-])ccc2F)C1=O ZINC000071040016 176027089 /nfs/dbraw/zinc/02/70/89/176027089.db2.gz LSZJONMDVZEINU-JTQLQIEISA-N 0 3 267.260 1.449 10 5 CDBEHN CO[C@@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000191719002 270293046 /nfs/dbraw/zinc/29/30/46/270293046.db2.gz LHJDXZGHUOBAFH-DCAQKATOSA-N 0 3 295.339 1.935 10 5 CDBEHN N[C@@]1(c2ccc([N+](=O)[O-])cc2Br)C[C@@H](O)C1 ZINC000536958782 330383791 /nfs/dbraw/zinc/38/37/91/330383791.db2.gz HBZDDRGNPFQUQI-WKFQBHICSA-N 0 3 287.113 1.666 10 5 CDBEHN CN[C@](C)(C[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000068628211 522524776 /nfs/dbraw/zinc/52/47/76/522524776.db2.gz CJFKIQBFZJUBRC-TVQRCGJNSA-N 0 3 297.380 1.929 10 5 CDBEHN CC(C)[C@@H](CN(C)C)Nc1ccncc1[N+](=O)[O-] ZINC000049219014 519794048 /nfs/dbraw/zinc/79/40/48/519794048.db2.gz MTVRFJDPPQDXEU-LLVKDONJSA-N 0 3 252.318 1.988 10 5 CDBEHN CCCN[C@H](CCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000062540990 520078970 /nfs/dbraw/zinc/07/89/70/520078970.db2.gz PRFPUQGRCNMUKC-GFCCVEGCSA-N 0 3 281.312 1.217 10 5 CDBEHN CN[C@@H](CCOc1cc([N+](=O)[O-])ccc1Cl)C(N)=O ZINC000069508031 522345260 /nfs/dbraw/zinc/34/52/60/522345260.db2.gz LIRXIMIDEQSZAC-VIFPVBQESA-N 0 3 287.703 1.090 10 5 CDBEHN CN[C@](C)(CSc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000045549488 522518349 /nfs/dbraw/zinc/51/83/49/522518349.db2.gz JQIQZMLLBCMHKU-LLVKDONJSA-N 0 3 269.326 1.150 10 5 CDBEHN Nc1cc([N+](=O)[O-])ccc1N[C@@H]1CN2CCC1CC2 ZINC000052840229 527461871 /nfs/dbraw/zinc/46/18/71/527461871.db2.gz IRNSDVWBOSYSDF-CYBMUJFWSA-N 0 3 262.313 1.683 10 5 CDBEHN Nc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1CCCO ZINC000052763195 527504434 /nfs/dbraw/zinc/50/44/34/527504434.db2.gz QDLMGUVLOGILPB-GFCCVEGCSA-N 0 3 279.340 1.914 10 5 CDBEHN C[C@@H](NC(=S)NCCN(C)C)c1ccccc1[N+](=O)[O-] ZINC000774580922 575216816 /nfs/dbraw/zinc/21/68/16/575216816.db2.gz KFTGGXGHQJKYRV-SNVBAGLBSA-N 0 3 296.396 1.682 10 5 CDBEHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000760896581 576522466 /nfs/dbraw/zinc/52/24/66/576522466.db2.gz OINCEECHDYCYON-KGLIPLIRSA-N 0 3 280.324 1.739 10 5 CDBEHN CC(COC(=O)[C@H]1CCC(=O)c2ccccc21)[N+](=O)[O-] ZINC000813105606 617343288 /nfs/dbraw/zinc/34/32/88/617343288.db2.gz PYMBAKWRXZFVTE-SKDRFNHKSA-N 0 3 277.276 1.955 10 5 CDBEHN Cc1noc(C2CC2)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112331 617346743 /nfs/dbraw/zinc/34/67/43/617346743.db2.gz FJFLGZMSPXUYNH-ZCFIWIBFSA-N 0 3 254.242 1.682 10 5 CDBEHN CCC(=O)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001732815109 1183136867 /nfs/dbraw/zinc/13/68/67/1183136867.db2.gz ALVXHLNEKCAWOQ-ONEGZZNKSA-N 0 3 277.324 1.767 10 5 CDBEHN COc1ccc(COCCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110783 1163815987 /nfs/dbraw/zinc/81/59/87/1163815987.db2.gz JETIZKAAWFWTMD-NSHDSACASA-N 0 3 297.307 1.810 10 5 CDBEHN CN1C[C@@H](CCNCc2ccccc2[N+](=O)[O-])CC1=O ZINC000723544420 781879090 /nfs/dbraw/zinc/87/90/90/781879090.db2.gz FCAMBSFQAZHFBB-NSHDSACASA-N 0 3 277.324 1.553 10 5 CDBEHN Cc1ccncc1/C=C/C(=O)OCC(C)[N+](=O)[O-] ZINC000813100089 782996988 /nfs/dbraw/zinc/99/69/88/782996988.db2.gz MEHSAJIJOGNOBK-FSIBCCDJSA-N 0 3 250.254 1.612 10 5 CDBEHN CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000812879994 783035125 /nfs/dbraw/zinc/03/51/25/783035125.db2.gz YJCHOZNUTRKIPV-KGLIPLIRSA-N 0 3 280.324 1.739 10 5 CDBEHN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H](C)N1 ZINC000856408561 781290707 /nfs/dbraw/zinc/29/07/07/781290707.db2.gz NDYVETAIYMCZMI-VHSXEESVSA-N 0 3 292.339 1.390 10 5 CDBEHN CC(COC(=O)C(C)(C)C1CCOCC1)[N+](=O)[O-] ZINC000813110749 781314238 /nfs/dbraw/zinc/31/42/38/781314238.db2.gz IQJZUHYHESOXCG-VIFPVBQESA-N 0 3 259.302 1.648 10 5 CDBEHN CN1CCC[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000865185602 783342049 /nfs/dbraw/zinc/34/20/49/783342049.db2.gz YNYMKLWYNPJDKD-NSHDSACASA-N 0 3 295.314 1.487 10 5 CDBEHN COC(=O)C12CCC(C(=O)OCC(C)[N+](=O)[O-])(CC1)C2 ZINC000813108283 783353401 /nfs/dbraw/zinc/35/34/01/783353401.db2.gz CPCXTVUCVDVCPE-UHEGKEBESA-N 0 3 285.296 1.318 10 5 CDBEHN CC(COC(=O)c1ccnc(C(F)(F)F)c1)[N+](=O)[O-] ZINC000813100963 783377458 /nfs/dbraw/zinc/37/74/58/783377458.db2.gz ZEVXDDPWYMDZRS-ZCFIWIBFSA-N 0 3 278.186 1.922 10 5 CDBEHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)CCO1 ZINC001176971092 914410529 /nfs/dbraw/zinc/41/05/29/914410529.db2.gz IHVLWZXWIRIRSU-VXGBXAGGSA-N 0 3 295.339 1.256 10 5 CDBEHN CN(CCO)CCN(C)c1c(Cl)cncc1[N+](=O)[O-] ZINC000691354067 920106236 /nfs/dbraw/zinc/10/62/36/920106236.db2.gz DPMYFQAQZYREEW-UHFFFAOYSA-N 0 3 288.735 1.004 10 5 CDBEHN Cn1cc([N+](=O)[O-])c(NC[C@H]2CCN2C2CCCC2)n1 ZINC001187241916 920424295 /nfs/dbraw/zinc/42/42/95/920424295.db2.gz CINMPAMBCGNZIZ-LLVKDONJSA-N 0 3 279.344 1.757 10 5 CDBEHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001649395375 1169247299 /nfs/dbraw/zinc/24/72/99/1169247299.db2.gz OXOPNHAYCRSQMZ-LLVKDONJSA-N 0 3 292.339 1.512 10 5 CDBEHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC3(COC3)C2)cc1 ZINC000852683663 927841812 /nfs/dbraw/zinc/84/18/12/927841812.db2.gz OXMTVOZKSOWFNE-ZDUSSCGKSA-N 0 3 278.308 1.351 10 5 CDBEHN Cc1nn(C(C)C)c(C)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000797279959 937326639 /nfs/dbraw/zinc/32/66/39/937326639.db2.gz LRVWIXOVHIYTHJ-VIFPVBQESA-N 0 3 283.328 1.832 10 5 CDBEHN O=[N+]([O-])c1cc(F)cnc1NC[C@@H]1CCCN1CCCO ZINC000601170704 342485912 /nfs/dbraw/zinc/48/59/12/342485912.db2.gz VDWCSXIKRAZORG-NSHDSACASA-N 0 3 298.318 1.388 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCC[C@@H]1O ZINC000601156274 342483810 /nfs/dbraw/zinc/48/38/10/342483810.db2.gz NJLFUOQMWGJEBH-STQMWFEESA-N 0 3 250.298 1.906 10 5 CDBEHN CC[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])C[C@H](C)N1 ZINC000599179917 343983275 /nfs/dbraw/zinc/98/32/75/343983275.db2.gz KYYUBNPOKZXFGP-DTWKUNHWSA-N 0 3 295.368 1.881 10 5 CDBEHN Cc1sc(C(=O)N2CCNCC2(C)C)cc1[N+](=O)[O-] ZINC000591678549 342641619 /nfs/dbraw/zinc/64/16/19/342641619.db2.gz XUMZEJMCKPTLLP-UHFFFAOYSA-N 0 3 283.353 1.789 10 5 CDBEHN NC(=O)[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000593670099 342820847 /nfs/dbraw/zinc/82/08/47/342820847.db2.gz KCIJVSDMPUTBBN-OCAPTIKFSA-N 0 3 255.299 1.010 10 5 CDBEHN Cc1sc(C(=O)N[C@@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594451875 342910229 /nfs/dbraw/zinc/91/02/29/342910229.db2.gz RJAUAWMIYJZNFJ-ZETCQYMHSA-N 0 3 297.258 1.584 10 5 CDBEHN CO[C@](C)(CO)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000594510775 342912601 /nfs/dbraw/zinc/91/26/01/342912601.db2.gz KNALRIIWKAIPIK-RISCZKNCSA-N 0 3 282.340 1.951 10 5 CDBEHN CO[C@@](C)(CO)CNCc1cccc([N+](=O)[O-])c1 ZINC000594508552 342914888 /nfs/dbraw/zinc/91/48/88/342914888.db2.gz CWXAOBPYJVSTEP-GFCCVEGCSA-N 0 3 254.286 1.082 10 5 CDBEHN C[C@@H](NC[C@@H]1COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000599075861 343949429 /nfs/dbraw/zinc/94/94/29/343949429.db2.gz ALLKDPNTYPPZJB-BXUZGUMPSA-N 0 3 279.340 1.576 10 5 CDBEHN Cc1c([C@H](C)NC[C@@H]2COCCN2C)cccc1[N+](=O)[O-] ZINC000599082578 343957111 /nfs/dbraw/zinc/95/71/11/343957111.db2.gz WITRAPRQXTWUHR-QWHCGFSZSA-N 0 3 293.367 1.884 10 5 CDBEHN [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccc([O-])cc1[N+](=O)[O-] ZINC000085359304 179031856 /nfs/dbraw/zinc/03/18/56/179031856.db2.gz BCCQLVOEYBESPT-RKDXNWHRSA-N 0 3 265.269 1.366 10 5 CDBEHN O=[N+]([O-])c1ccc(NCCCN2CCC(O)CC2)cn1 ZINC000344432845 362776824 /nfs/dbraw/zinc/77/68/24/362776824.db2.gz IHETZIZGYQKCNE-UHFFFAOYSA-N 0 3 280.328 1.249 10 5 CDBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H](CN(C)C)C1 ZINC000105925571 186091030 /nfs/dbraw/zinc/09/10/30/186091030.db2.gz RIISTGRBMVWVRG-IUODEOHRSA-N 0 3 293.367 1.918 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1OC[C@@H]1CNCCO1 ZINC000167027680 362957853 /nfs/dbraw/zinc/95/78/53/362957853.db2.gz CKSNETDLDGJDOT-NSHDSACASA-N 0 3 252.270 1.270 10 5 CDBEHN O=[N+]([O-])c1ccc(NCCCNCc2cccnc2)nc1 ZINC000063197129 363398016 /nfs/dbraw/zinc/39/80/16/363398016.db2.gz ZUFFHJLGMQXPIF-UHFFFAOYSA-N 0 3 287.323 1.977 10 5 CDBEHN COc1cc(CN[C@@H](C)[C@@H](C)CO)c([N+](=O)[O-])cc1F ZINC000295715075 199632978 /nfs/dbraw/zinc/63/29/78/199632978.db2.gz KNUSWMSOXHLPRL-IUCAKERBSA-N 0 3 286.303 1.849 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CC[C@@]3(O)CCCC[C@H]3C2)n1 ZINC000248146923 360409240 /nfs/dbraw/zinc/40/92/40/360409240.db2.gz QHTQOSAZRNWUML-JSGCOSHPSA-N 0 3 294.355 1.418 10 5 CDBEHN COc1cc(CNc2nccn2C)c([N+](=O)[O-])cc1O ZINC000414297247 241144256 /nfs/dbraw/zinc/14/42/56/241144256.db2.gz HBVCNRUOCPPZQA-UHFFFAOYSA-N 0 3 278.268 1.655 10 5 CDBEHN O=[N+]([O-])c1ccc2nc(OC[C@@H]3CCC[NH2+]3)[n-]c2c1 ZINC000094772341 367020517 /nfs/dbraw/zinc/02/05/17/367020517.db2.gz BLYQXJQZQHNAEU-QMMMGPOBSA-N 0 3 262.269 1.602 10 5 CDBEHN CC(C)(C)[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000330834378 203292749 /nfs/dbraw/zinc/29/27/49/203292749.db2.gz HVSDSJMSQZWMLL-OLZOCXBDSA-N 0 3 296.371 1.520 10 5 CDBEHN CN(CCCCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000276425891 193326464 /nfs/dbraw/zinc/32/64/64/193326464.db2.gz RISNSWSXLYWOBJ-GFCCVEGCSA-N 0 3 298.339 1.039 10 5 CDBEHN CC[C@H](NC(=O)NCCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000133826313 372846995 /nfs/dbraw/zinc/84/69/95/372846995.db2.gz QYHUGDAGMAOZJA-ZDUSSCGKSA-N 0 3 294.355 1.907 10 5 CDBEHN Cc1nn(C)c(NC[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000114709000 374344218 /nfs/dbraw/zinc/34/42/18/374344218.db2.gz CWDMPEKXMDFXCI-VIFPVBQESA-N 0 3 253.306 1.143 10 5 CDBEHN O=[N+]([O-])c1ccc(OC[C@@H]2CNCCO2)c(Cl)c1 ZINC000080745183 374478844 /nfs/dbraw/zinc/47/88/44/374478844.db2.gz NIKJOYAELGVPBI-VIFPVBQESA-N 0 3 272.688 1.615 10 5 CDBEHN C[C@@H]1C[C@H](C)N1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000547769352 377836370 /nfs/dbraw/zinc/83/63/70/377836370.db2.gz IUZYRPHIFRBQEC-GRYCIOLGSA-N 0 3 280.324 1.817 10 5 CDBEHN Cc1ccsc1[C@@H](CO)NCCn1ccc([N+](=O)[O-])n1 ZINC000494644581 393235634 /nfs/dbraw/zinc/23/56/34/393235634.db2.gz CNEGNFBXBWQOGS-SNVBAGLBSA-N 0 3 296.352 1.484 10 5 CDBEHN CCCN(CCO)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000305857079 149175130 /nfs/dbraw/zinc/17/51/30/149175130.db2.gz WTPCQMWXYYYIKL-UHFFFAOYSA-N 0 3 268.313 1.808 10 5 CDBEHN CCOC(=O)COCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000351577100 154577519 /nfs/dbraw/zinc/57/75/19/154577519.db2.gz ZETFAWHFCSFMQG-NSHDSACASA-N 0 3 296.323 1.825 10 5 CDBEHN CC(COC(=O)c1cccc([S@](C)=O)c1)[N+](=O)[O-] ZINC000813113832 782010412 /nfs/dbraw/zinc/01/04/12/782010412.db2.gz JUDVJRGHCNDFES-CVJBHZAOSA-N 0 3 271.294 1.246 10 5 CDBEHN C[C@@H](NCC1(C)OCCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284864839 196145596 /nfs/dbraw/zinc/14/55/96/196145596.db2.gz ARMRXGLSZVVJBW-SNVBAGLBSA-N 0 3 295.339 1.981 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@@H]2CN3CCC2CC3)o1 ZINC000037211630 173032517 /nfs/dbraw/zinc/03/25/17/173032517.db2.gz ZXRMBGRZTDBYQT-LLVKDONJSA-N 0 3 251.286 1.372 10 5 CDBEHN N[C@H](c1csc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300106 175001193 /nfs/dbraw/zinc/00/11/93/175001193.db2.gz DAVHBSAVVOOJNB-MUWHJKNJSA-N 0 3 276.339 1.091 10 5 CDBEHN CCNCC(=O)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000044650225 175224503 /nfs/dbraw/zinc/22/45/03/175224503.db2.gz LEGPNZBWBXHJGY-UHFFFAOYSA-N 0 3 251.286 1.163 10 5 CDBEHN CCCNCC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000044651668 175225048 /nfs/dbraw/zinc/22/50/48/175225048.db2.gz XFZAWILKDGVSMF-UHFFFAOYSA-N 0 3 251.286 1.841 10 5 CDBEHN O=[N+]([O-])c1cc(F)c(N2CCNCC2)cc1Cl ZINC000081986738 275033682 /nfs/dbraw/zinc/03/36/82/275033682.db2.gz GPGJRINJMVLDMJ-UHFFFAOYSA-N 0 3 259.668 1.797 10 5 CDBEHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000282521061 278280364 /nfs/dbraw/zinc/28/03/64/278280364.db2.gz YFATYBPTYSNAJG-NHCYSSNCSA-N 0 3 277.324 1.913 10 5 CDBEHN O=[N+]([O-])c1cccc(CCNC[C@H](O)C(F)(F)F)c1 ZINC000579827119 324290980 /nfs/dbraw/zinc/29/09/80/324290980.db2.gz HFUVYEPBMAQWIS-JTQLQIEISA-N 0 3 278.230 1.650 10 5 CDBEHN CCCCNC(=O)COc1ccc(CNC)cc1[N+](=O)[O-] ZINC000049279745 520623913 /nfs/dbraw/zinc/62/39/13/520623913.db2.gz ZCPGUJYOKKHHGW-UHFFFAOYSA-N 0 3 295.339 1.609 10 5 CDBEHN CC[C@@H](Oc1cc(CNC(C)C)ccc1[N+](=O)[O-])C(N)=O ZINC000061676065 523038502 /nfs/dbraw/zinc/03/85/02/523038502.db2.gz ZTGJRYLBQZTBID-GFCCVEGCSA-N 0 3 295.339 1.736 10 5 CDBEHN Cc1cc(O[C@H](C)C[C@](C)(N)C(N)=O)ccc1[N+](=O)[O-] ZINC000068651112 525382615 /nfs/dbraw/zinc/38/26/15/525382615.db2.gz ISSWLGSKNKFUOP-RNCFNFMXSA-N 0 3 281.312 1.263 10 5 CDBEHN CCn1cc([N+](=O)[O-])c(C(=O)NCCN2CCC[C@@H]2C)n1 ZINC000757672298 577049872 /nfs/dbraw/zinc/04/98/72/577049872.db2.gz CJKZOVFMLCJVDR-JTQLQIEISA-N 0 3 295.343 1.025 10 5 CDBEHN CC(COC(=O)c1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000813105337 617343235 /nfs/dbraw/zinc/34/32/35/617343235.db2.gz XQACFHOVDOXXTP-ZETCQYMHSA-N 0 3 253.210 1.237 10 5 CDBEHN CC(COC(=O)[C@@H](F)Cc1ccccc1)[N+](=O)[O-] ZINC000813112185 617346661 /nfs/dbraw/zinc/34/66/61/617346661.db2.gz DCWJMUHEDDLZNK-ONGXEEELSA-N 0 3 255.245 1.776 10 5 CDBEHN C[C@@H]1CCN(CC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001629133968 1166117147 /nfs/dbraw/zinc/11/71/47/1166117147.db2.gz PWJUGVZZBOMEDI-LLVKDONJSA-N 0 3 289.335 1.779 10 5 CDBEHN CC(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001673136531 1171486676 /nfs/dbraw/zinc/48/66/76/1171486676.db2.gz ZPMMKFXSSRPWMR-UHFFFAOYSA-N 0 3 277.324 1.743 10 5 CDBEHN CC[C@@H](NC[C@H](O)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC001653102029 1171505289 /nfs/dbraw/zinc/50/52/89/1171505289.db2.gz KAVXGIWHLITJOO-OLZOCXBDSA-N 0 3 282.340 1.767 10 5 CDBEHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H]2CCCC[C@H]21 ZINC001659299542 1172112518 /nfs/dbraw/zinc/11/25/18/1172112518.db2.gz XRUKMUFOZFTLRO-VXGBXAGGSA-N 0 3 264.329 1.974 10 5 CDBEHN CC(COC(=O)[C@@H]1CCCN1CC(F)(F)F)[N+](=O)[O-] ZINC000813107547 1163813597 /nfs/dbraw/zinc/81/35/97/1163813597.db2.gz SPBVTHYGDZRNQA-SFYZADRCSA-N 0 3 284.234 1.222 10 5 CDBEHN CC(COC(=O)[C@@H]1CCCN1c1nccs1)[N+](=O)[O-] ZINC000813112536 1163815450 /nfs/dbraw/zinc/81/54/50/1163815450.db2.gz HYTOPJFEZVHVKO-BDAKNGLRSA-N 0 3 285.325 1.320 10 5 CDBEHN CC(COC(=O)[C@@H]1CCCc2nn(C)cc21)[N+](=O)[O-] ZINC000813105451 1163814973 /nfs/dbraw/zinc/81/49/73/1163814973.db2.gz MJCYNAKXXNPKCD-RKDXNWHRSA-N 0 3 267.285 1.048 10 5 CDBEHN COc1cc(CCC(=O)OCC(C)[N+](=O)[O-])cc(OC)c1 ZINC000813112510 1163816895 /nfs/dbraw/zinc/81/68/95/1163816895.db2.gz RKCMOBVEBWTEDS-JTQLQIEISA-N 0 3 297.307 1.845 10 5 CDBEHN COC[C@]1(C)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001618077198 1165620682 /nfs/dbraw/zinc/62/06/82/1165620682.db2.gz YYHYDMNOAUOTNB-CQSZACIVSA-N 0 3 295.339 1.115 10 5 CDBEHN C[C@@H]1[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000928448239 905032857 /nfs/dbraw/zinc/03/28/57/905032857.db2.gz MUFVECLBRWPNIZ-MFKMUULPSA-N 0 3 277.324 1.346 10 5 CDBEHN COc1cccc2c1[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2 ZINC000816091217 930174774 /nfs/dbraw/zinc/17/47/74/930174774.db2.gz OKNMSCZZYDUDAX-MWLCHTKSSA-N 0 3 279.292 1.933 10 5 CDBEHN Cc1ccnc(N[C@H]2CCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000719623767 934856793 /nfs/dbraw/zinc/85/67/93/934856793.db2.gz JLZHEBMDNKRWKW-ZJUUUORDSA-N 0 3 250.302 1.803 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(C)CC1(C)C ZINC001456161652 968879703 /nfs/dbraw/zinc/87/97/03/968879703.db2.gz YZIZHGWPWVKEDU-ZDUSSCGKSA-N 0 3 291.351 1.973 10 5 CDBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C)[C@H](C)CO)c1 ZINC000589506805 342508076 /nfs/dbraw/zinc/50/80/76/342508076.db2.gz WCGSDQPGDRUTLR-NXEZZACHSA-N 0 3 296.323 1.488 10 5 CDBEHN C[C@@H]1[C@@H](O)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000590759103 342588539 /nfs/dbraw/zinc/58/85/39/342588539.db2.gz SAGBZJZXTUODNY-MFKMUULPSA-N 0 3 266.297 1.429 10 5 CDBEHN CC[C@@H](N[C@H]1C[C@@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000593717787 342828583 /nfs/dbraw/zinc/82/85/83/342828583.db2.gz MXGLHZHQODSAFF-NTZNESFSSA-N 0 3 277.324 1.899 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595232863 343016615 /nfs/dbraw/zinc/01/66/15/343016615.db2.gz CENKXUMZNOPQQQ-GHMZBOCLSA-N 0 3 296.302 1.806 10 5 CDBEHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@]1(O)CCCOC1 ZINC000595474874 343063638 /nfs/dbraw/zinc/06/36/38/343063638.db2.gz GNIOWRCERUMTDO-HNNXBMFYSA-N 0 3 294.351 1.611 10 5 CDBEHN O=[N+]([O-])c1cccc(CN(C[C@@H]2CNCCO2)C2CC2)c1 ZINC000595890416 343181472 /nfs/dbraw/zinc/18/14/72/343181472.db2.gz DBMJDGYHETWGFR-HNNXBMFYSA-N 0 3 291.351 1.548 10 5 CDBEHN N[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595907153 343188897 /nfs/dbraw/zinc/18/88/97/343188897.db2.gz RDWCPKPKKNDFNE-CHWSQXEVSA-N 0 3 283.303 1.345 10 5 CDBEHN O=[N+]([O-])c1ccc(CN2CCOC3(CNC3)C2)c(Cl)c1 ZINC000596105312 343228434 /nfs/dbraw/zinc/22/84/34/343228434.db2.gz KBWWXSQEEXUDGV-UHFFFAOYSA-N 0 3 297.742 1.422 10 5 CDBEHN CC(C)(C)N1CC[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000596308830 343293874 /nfs/dbraw/zinc/29/38/74/343293874.db2.gz WFZILAGRUPFBHW-JTQLQIEISA-N 0 3 264.329 1.696 10 5 CDBEHN COC(=O)[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2C)C1 ZINC000597242950 343480984 /nfs/dbraw/zinc/48/09/84/343480984.db2.gz NZKJLEJAWURILN-HAQNSBGRSA-N 0 3 278.308 1.944 10 5 CDBEHN CN(C)CCn1cc(NCc2ccccc2[N+](=O)[O-])cn1 ZINC000236997418 363219805 /nfs/dbraw/zinc/21/98/05/363219805.db2.gz HCXOLXGNBPUAGS-UHFFFAOYSA-N 0 3 289.339 1.965 10 5 CDBEHN O=[N+]([O-])c1ccccc1CN[C@H]1CCC[C@@H](O)C1 ZINC000037163609 363531147 /nfs/dbraw/zinc/53/11/47/363531147.db2.gz IAQOXCLKYSXNGR-NWDGAFQWSA-N 0 3 250.298 1.988 10 5 CDBEHN C[C@H]1C[C@@H](Nc2ccncc2[N+](=O)[O-])CN1C1CC1 ZINC000361062459 357790757 /nfs/dbraw/zinc/79/07/57/357790757.db2.gz LYSHJOBGRQBLEZ-VHSXEESVSA-N 0 3 262.313 1.449 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)[C@@H](C)CO ZINC000450734029 358995685 /nfs/dbraw/zinc/99/56/85/358995685.db2.gz UGXVYZNJOKURAQ-WDEREUQCSA-N 0 3 295.339 1.448 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)[C@H](C)CO ZINC000450741359 358997762 /nfs/dbraw/zinc/99/77/62/358997762.db2.gz YQXRNNCBEIXYHU-NXEZZACHSA-N 0 3 268.313 1.710 10 5 CDBEHN CC(C)(C)[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1O ZINC000347787198 359646969 /nfs/dbraw/zinc/64/69/69/359646969.db2.gz HSOZYIBQUYSXCT-NWDGAFQWSA-N 0 3 296.371 1.520 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176667635 189004142 /nfs/dbraw/zinc/00/41/42/189004142.db2.gz UTEVOHVTRIFOME-VIFPVBQESA-N 0 3 278.312 1.001 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368351612 373824573 /nfs/dbraw/zinc/82/45/73/373824573.db2.gz IQMREGKWYUCZQN-WDNDVIMCSA-N 0 3 262.309 1.573 10 5 CDBEHN CN(C)C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531882471 374514215 /nfs/dbraw/zinc/51/42/15/374514215.db2.gz LFZSXDRXRWXQIP-LBPRGKRZSA-N 0 3 292.339 1.546 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@](C)(C(N)=O)C1 ZINC000280255982 374987718 /nfs/dbraw/zinc/98/77/18/374987718.db2.gz LNNQJRHHKDBRBJ-AWEZNQCLSA-N 0 3 277.324 1.601 10 5 CDBEHN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN2CCC[C@@H]2C1 ZINC000193724493 375895042 /nfs/dbraw/zinc/89/50/42/375895042.db2.gz ILHXNAGEBUKYAG-CYBMUJFWSA-N 0 3 290.323 1.907 10 5 CDBEHN CC(=O)[C@@](C)(O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000450679582 251399424 /nfs/dbraw/zinc/39/94/24/251399424.db2.gz WSLTYLNGKAIHSE-ZANVPECISA-N 0 3 266.297 1.585 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNCCc1ccn(C)n1 ZINC000354666750 156588024 /nfs/dbraw/zinc/58/80/24/156588024.db2.gz FPVGDNVICRTTJJ-UHFFFAOYSA-N 0 3 274.324 1.969 10 5 CDBEHN CC[C@@H](C)[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000035232015 172071982 /nfs/dbraw/zinc/07/19/82/172071982.db2.gz LGTNXSGSLIZDJR-PELKAZGASA-N 0 3 281.312 1.915 10 5 CDBEHN CO[C@@H]1CN[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000040633250 174359404 /nfs/dbraw/zinc/35/94/04/174359404.db2.gz AWROOPINOXGMNG-JQWIXIFHSA-N 0 3 279.296 1.219 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1N1CC[C@H](NC(C)C)C1=O ZINC000071038640 176027423 /nfs/dbraw/zinc/02/74/23/176027423.db2.gz UXBBKURNOCCXBR-NSHDSACASA-N 0 3 293.323 1.707 10 5 CDBEHN Cn1cnc(CCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC000313303498 260280246 /nfs/dbraw/zinc/28/02/46/260280246.db2.gz QZPZNOCSMQONDS-UHFFFAOYSA-N 0 3 260.297 1.661 10 5 CDBEHN O=[N+]([O-])c1ccc(N2CCNCC2)c(N2CCCC2)c1 ZINC000005799241 275036671 /nfs/dbraw/zinc/03/66/71/275036671.db2.gz OBXAXBGECIYWIZ-UHFFFAOYSA-N 0 3 276.340 1.605 10 5 CDBEHN C[C@@H]1NC(=O)CC[C@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000282478742 279028436 /nfs/dbraw/zinc/02/84/36/279028436.db2.gz LKURJDGFFMBCLK-GZMMTYOYSA-N 0 3 281.287 1.491 10 5 CDBEHN CN[C@H](CCOc1c(C)cc(C)cc1[N+](=O)[O-])C(N)=O ZINC000062595610 522461536 /nfs/dbraw/zinc/46/15/36/522461536.db2.gz PPLSVNGZBNFHBX-SNVBAGLBSA-N 0 3 281.312 1.054 10 5 CDBEHN CCNCc1cc([N+](=O)[O-])ccc1OC[C@@H](O)COCC ZINC000069275495 519993419 /nfs/dbraw/zinc/99/34/19/519993419.db2.gz NQWUVPLBLVUGBW-ZDUSSCGKSA-N 0 3 298.339 1.481 10 5 CDBEHN CCN[C@@H](CCOc1cc([N+](=O)[O-])ccc1C)C(N)=O ZINC000062540578 520090537 /nfs/dbraw/zinc/09/05/37/520090537.db2.gz BSAGIEWYOSVTJR-NSHDSACASA-N 0 3 281.312 1.136 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(OCCCOC)c1 ZINC000050516870 522125996 /nfs/dbraw/zinc/12/59/96/522125996.db2.gz CPMXOZIHWLEFMU-UHFFFAOYSA-N 0 3 254.286 1.730 10 5 CDBEHN CO[C@H]1CN[C@@H](C(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000050439862 524009137 /nfs/dbraw/zinc/00/91/37/524009137.db2.gz XLCZNDGNNJITBO-ZYHUDNBSSA-N 0 3 293.323 1.527 10 5 CDBEHN NCc1ccc([N+](=O)[O-])c(OC[C@@H]2CCOC2)c1 ZINC000050516264 527257760 /nfs/dbraw/zinc/25/77/60/527257760.db2.gz VIXIKHWTCRSDTP-SNVBAGLBSA-N 0 3 252.270 1.469 10 5 CDBEHN O=C(Nc1ccncc1[N+](=O)[O-])N1CCN2CCC[C@@H]2C1 ZINC000183632303 527457982 /nfs/dbraw/zinc/45/79/82/527457982.db2.gz CGIFAAJQHONKLZ-SNVBAGLBSA-N 0 3 291.311 1.302 10 5 CDBEHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1CC(C)C ZINC000813110168 617345779 /nfs/dbraw/zinc/34/57/79/617345779.db2.gz UEYPVDSJDWXPBQ-SNVBAGLBSA-N 0 3 283.328 1.924 10 5 CDBEHN COc1cccc(C(=O)N[C@H]2CCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000928441367 619086193 /nfs/dbraw/zinc/08/61/93/619086193.db2.gz NZMJIKVBACSYAU-KOLCDFICSA-N 0 3 293.323 1.426 10 5 CDBEHN CC(COC(=O)c1cnc([C@H]2CCCO2)s1)[N+](=O)[O-] ZINC000813112430 1163816064 /nfs/dbraw/zinc/81/60/64/1163816064.db2.gz PYGYFKKHJDDGEB-HTQZYQBOSA-N 0 3 286.309 1.817 10 5 CDBEHN CCc1ccc(OCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110887 1163816414 /nfs/dbraw/zinc/81/64/14/1163816414.db2.gz LMEVEEIZOSMRNK-JTQLQIEISA-N 0 3 267.281 1.836 10 5 CDBEHN CC(COC(=O)Cc1ccc(F)c(F)c1)[N+](=O)[O-] ZINC000813115779 1163817751 /nfs/dbraw/zinc/81/77/51/1163817751.db2.gz ZLTWTLRHHVSBSC-SSDOTTSWSA-N 0 3 259.208 1.716 10 5 CDBEHN CN(CCN1CCCCC1)c1nn(C)cc1[N+](=O)[O-] ZINC001651174202 1171297507 /nfs/dbraw/zinc/29/75/07/1171297507.db2.gz FFLXIGHTGUAQET-UHFFFAOYSA-N 0 3 267.333 1.250 10 5 CDBEHN CC(=Cc1cccc([N+](=O)[O-])c1)CNCc1c[nH]nn1 ZINC001656694113 1171862559 /nfs/dbraw/zinc/86/25/59/1171862559.db2.gz SQSZJHPUIUZBHX-BJMVGYQFSA-N 0 3 273.296 1.906 10 5 CDBEHN CC(COC(=O)CSCC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813106988 783703884 /nfs/dbraw/zinc/70/38/84/783703884.db2.gz JQTVYONSDVNBLR-MRVPVSSYSA-N 0 3 293.341 1.270 10 5 CDBEHN CC(COC(=O)CCC(=O)c1ccccc1)[N+](=O)[O-] ZINC000813108748 785797641 /nfs/dbraw/zinc/79/76/41/785797641.db2.gz AICAPZPZJRSUQU-JTQLQIEISA-N 0 3 265.265 1.858 10 5 CDBEHN CC[C@H](OC1CCCC1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813108755 787873723 /nfs/dbraw/zinc/87/37/23/787873723.db2.gz LKBHGZJWSFIDBY-ONGXEEELSA-N 0 3 259.302 1.933 10 5 CDBEHN CC(COC(=O)c1cnn2c1CCCC2)[N+](=O)[O-] ZINC000813104321 787875626 /nfs/dbraw/zinc/87/56/26/787875626.db2.gz MKFZEUZQSXFDHT-MRVPVSSYSA-N 0 3 253.258 1.041 10 5 CDBEHN Cc1cc(NCc2cccc([N+](=O)[O-])c2)nc(N)n1 ZINC000049389939 788370189 /nfs/dbraw/zinc/37/01/89/788370189.db2.gz UKNYLUISKGLGOT-UHFFFAOYSA-N 0 3 259.269 1.888 10 5 CDBEHN Cc1ccncc1/C=C\C(=O)OCC(C)[N+](=O)[O-] ZINC000813100091 788387777 /nfs/dbraw/zinc/38/77/77/788387777.db2.gz MEHSAJIJOGNOBK-UMBAGQNISA-N 0 3 250.254 1.612 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000862546168 789249346 /nfs/dbraw/zinc/24/93/46/789249346.db2.gz HNTKOEUFHJCZHU-DGCLKSJQSA-N 0 3 276.292 1.508 10 5 CDBEHN CC(COC(=O)c1noc2c1CCCCC2)[N+](=O)[O-] ZINC000813108855 789385967 /nfs/dbraw/zinc/38/59/67/789385967.db2.gz MGLGYLKVRAXACN-MRVPVSSYSA-N 0 3 268.269 1.766 10 5 CDBEHN C[C@H]1CN(c2nn(C)cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC001642736382 1167194520 /nfs/dbraw/zinc/19/45/20/1167194520.db2.gz BDMJRDUEQXSIBL-SNVBAGLBSA-N 0 3 279.344 1.249 10 5 CDBEHN O=[N+]([O-])CCN[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC001333175880 958127162 /nfs/dbraw/zinc/12/71/62/958127162.db2.gz TZSWPJRXARKZNR-OLZOCXBDSA-N 0 3 250.298 1.631 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](O)CC23CCC3)c1 ZINC001559924766 960841429 /nfs/dbraw/zinc/84/14/29/960841429.db2.gz BTVMBEKEGBTEAE-GFCCVEGCSA-N 0 3 280.328 1.171 10 5 CDBEHN CC[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000599180631 343983248 /nfs/dbraw/zinc/98/32/48/343983248.db2.gz NQKCDCVNYNFIEZ-VHSXEESVSA-N 0 3 250.302 1.567 10 5 CDBEHN Cc1cccc(C(=O)N[C@@H](CN)C(F)(F)F)c1[N+](=O)[O-] ZINC000401732031 342642843 /nfs/dbraw/zinc/64/28/43/342642843.db2.gz PBKMVXQWULOVTM-QMMMGPOBSA-N 0 3 291.229 1.523 10 5 CDBEHN C[C@H](N[C@H]1C[C@@H](C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000593182867 342775997 /nfs/dbraw/zinc/77/59/97/342775997.db2.gz HWTIRQMYMXWICC-INTQDDNPSA-N 0 3 263.297 1.509 10 5 CDBEHN CO[C@@](C)(CO)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000594514679 342912827 /nfs/dbraw/zinc/91/28/27/342912827.db2.gz ZDMFYZJQORSBHZ-SMDDNHRTSA-N 0 3 282.340 1.951 10 5 CDBEHN CN1C[C@H](CNCc2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000594984955 342993819 /nfs/dbraw/zinc/99/38/19/342993819.db2.gz XAQRNQWGDSWEEW-VIFPVBQESA-N 0 3 281.287 1.302 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@H](CO)C2CCC2)cc1 ZINC000594957138 342983498 /nfs/dbraw/zinc/98/34/98/342983498.db2.gz NYSIKLPLCUAQHY-CYBMUJFWSA-N 0 3 250.298 1.845 10 5 CDBEHN C[C@@]1(F)CNCCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596014101 343218714 /nfs/dbraw/zinc/21/87/14/343218714.db2.gz NFXCTPDDUCBKTA-LLVKDONJSA-N 0 3 288.710 1.781 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1COCCN1C ZINC000599079732 343956580 /nfs/dbraw/zinc/95/65/80/343956580.db2.gz NJLATCADRXJTSO-JSGCOSHPSA-N 0 3 293.367 1.884 10 5 CDBEHN Cc1ccc([C@@H](C)NC[C@@H]2COCCN2C)cc1[N+](=O)[O-] ZINC000599082682 343957688 /nfs/dbraw/zinc/95/76/88/343957688.db2.gz YCNVDORMEZFUMB-TZMCWYRMSA-N 0 3 293.367 1.884 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CNCC[C@@H](C)O ZINC000085990933 179214448 /nfs/dbraw/zinc/21/44/48/179214448.db2.gz JGKTUVNRUYASQA-SECBINFHSA-N 0 3 254.286 1.464 10 5 CDBEHN CCC[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])N(C)C ZINC000179143133 189172518 /nfs/dbraw/zinc/17/25/18/189172518.db2.gz ORFQSZQEPVFBJE-ZDUSSCGKSA-N 0 3 279.340 1.941 10 5 CDBEHN CN(C)[C@@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000170866953 369980999 /nfs/dbraw/zinc/98/09/99/369980999.db2.gz NOBDDVOLMBEBSK-GFCCVEGCSA-N 0 3 293.323 1.136 10 5 CDBEHN Cc1ccnc(Nc2cnn(CCN(C)C)c2)c1[N+](=O)[O-] ZINC000301309874 373504698 /nfs/dbraw/zinc/50/46/98/373504698.db2.gz YHNCDWKQWMSNDA-UHFFFAOYSA-N 0 3 290.327 1.800 10 5 CDBEHN CCc1nn(C)c(N[C@@H]2CCCN(CC)C2)c1[N+](=O)[O-] ZINC000091559454 374041739 /nfs/dbraw/zinc/04/17/39/374041739.db2.gz XBJQTUYKKGIHEP-SNVBAGLBSA-N 0 3 281.360 1.787 10 5 CDBEHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)CCN1C ZINC000531883425 374514442 /nfs/dbraw/zinc/51/44/42/374514442.db2.gz XZLUUCUCTQQHFC-QWRGUYRKSA-N 0 3 292.339 1.545 10 5 CDBEHN O=[N+]([O-])c1ccc2oc([S@](=O)[C@H]3CCCNC3)nc2c1 ZINC000095092169 374868984 /nfs/dbraw/zinc/86/89/84/374868984.db2.gz ZAXHPKMMUXKBIB-LXGOIASLSA-N 0 3 295.320 1.596 10 5 CDBEHN NC(=O)C[C@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000330979278 374876523 /nfs/dbraw/zinc/87/65/23/374876523.db2.gz GGXAEUZTLHCRRB-SNVBAGLBSA-N 0 3 281.316 1.571 10 5 CDBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@](C)(C(N)=O)C1 ZINC000280700276 375014089 /nfs/dbraw/zinc/01/40/89/375014089.db2.gz IIYBTEZLEUCHCN-IINYFYTJSA-N 0 3 277.324 1.853 10 5 CDBEHN CCN1CCC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000194633164 378448418 /nfs/dbraw/zinc/44/84/18/378448418.db2.gz OXTJHVLFPVVTCL-CYBMUJFWSA-N 0 3 291.351 1.738 10 5 CDBEHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCN2C)c1 ZINC000227952086 140188107 /nfs/dbraw/zinc/18/81/07/140188107.db2.gz SJUALEKDNVJQSP-NSHDSACASA-N 0 3 293.323 1.888 10 5 CDBEHN CN(C)[C@@]1(CNc2ccc([N+](=O)[O-])nc2)CCSC1 ZINC000359012978 158098541 /nfs/dbraw/zinc/09/85/41/158098541.db2.gz HTNICQXNKHBZKB-GFCCVEGCSA-N 0 3 282.369 1.839 10 5 CDBEHN CN1CCC(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC000037249161 173060919 /nfs/dbraw/zinc/06/09/19/173060919.db2.gz GOQRPZXJHXEJBU-UHFFFAOYSA-N 0 3 281.287 1.558 10 5 CDBEHN CO[C@H]1CN[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040633258 174359247 /nfs/dbraw/zinc/35/92/47/174359247.db2.gz GMNQKHJXUFTQOU-LDYMZIIASA-N 0 3 299.714 1.564 10 5 CDBEHN N[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000070987330 176018723 /nfs/dbraw/zinc/01/87/23/176018723.db2.gz VIFATXYOIDMBMP-BXUZGUMPSA-N 0 3 275.308 1.748 10 5 CDBEHN CNC(=O)[C@@H](C)CN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000246127751 277240169 /nfs/dbraw/zinc/24/01/69/277240169.db2.gz DVRVJOPHHAEXGU-WDEREUQCSA-N 0 3 279.340 1.970 10 5 CDBEHN C[C@@H](N[C@@H]1CCc2ncnn2C1)c1ccc([N+](=O)[O-])cc1 ZINC000178223289 278376589 /nfs/dbraw/zinc/37/65/89/278376589.db2.gz UXIJGZYXCARIMF-ZYHUDNBSSA-N 0 3 287.323 1.852 10 5 CDBEHN C[C@@H]1C[C@@H](O)C[C@H](C)N1CCn1ccc([N+](=O)[O-])n1 ZINC000248841064 280386063 /nfs/dbraw/zinc/38/60/63/280386063.db2.gz POZFDZUIHVHHPG-JGPRNRPPSA-N 0 3 268.317 1.025 10 5 CDBEHN O=[N+]([O-])c1ccc(CN2CCNC[C@H]2C(F)F)c(F)c1 ZINC000568511063 294049678 /nfs/dbraw/zinc/04/96/78/294049678.db2.gz KRHVHCRWTZVCAG-NSHDSACASA-N 0 3 289.257 1.773 10 5 CDBEHN CN1C[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])CCC1=O ZINC000563419589 316304444 /nfs/dbraw/zinc/30/44/44/316304444.db2.gz XHTVFEUQWLRQSC-GWCFXTLKSA-N 0 3 289.335 1.793 10 5 CDBEHN CCCN(CCN(C)C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050816470 521657388 /nfs/dbraw/zinc/65/73/88/521657388.db2.gz SCYHVJJJPFZTFA-UHFFFAOYSA-N 0 3 280.372 1.951 10 5 CDBEHN CCNc1ccc(CN(C)C[C@H](O)COC)cc1[N+](=O)[O-] ZINC000050817902 520298350 /nfs/dbraw/zinc/29/83/50/520298350.db2.gz CXURDIYERFOABC-LBPRGKRZSA-N 0 3 297.355 1.466 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)C)c1 ZINC000050516710 522125223 /nfs/dbraw/zinc/12/52/23/522125223.db2.gz WCECEGGHYUJDEO-UHFFFAOYSA-N 0 3 281.312 1.171 10 5 CDBEHN CN[C@@](C)(C[C@H](C)Oc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000068651548 522420573 /nfs/dbraw/zinc/42/05/73/522420573.db2.gz KPFRSJCEIDDLMX-ZANVPECISA-N 0 3 281.312 1.216 10 5 CDBEHN C[C@@H]1CNC[C@@H](C)N1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000069133507 525095130 /nfs/dbraw/zinc/09/51/30/525095130.db2.gz RVJXVRZJGLFAET-NXEZZACHSA-N 0 3 278.312 1.809 10 5 CDBEHN Cc1ccc(O[C@@H](C)C[C@](C)(N)C(N)=O)c([N+](=O)[O-])c1 ZINC000068652086 525462679 /nfs/dbraw/zinc/46/26/79/525462679.db2.gz OTBFOPPXSNRSIN-ZANVPECISA-N 0 3 281.312 1.263 10 5 CDBEHN N=C(N)c1cc(COc2cc(F)ccc2[N+](=O)[O-])ccn1 ZINC000068762622 526819628 /nfs/dbraw/zinc/81/96/28/526819628.db2.gz RBXMPSGAASNLJR-UHFFFAOYSA-N 0 3 290.254 1.992 10 5 CDBEHN NC(=O)[C@@](N)(CSc1ccccc1[N+](=O)[O-])C1CC1 ZINC000069184539 526991310 /nfs/dbraw/zinc/99/13/10/526991310.db2.gz VQQYIYQUKMJVRQ-GFCCVEGCSA-N 0 3 281.337 1.280 10 5 CDBEHN C[C@H](NC(=S)NCCN(C)C)c1ccccc1[N+](=O)[O-] ZINC000774580919 575216853 /nfs/dbraw/zinc/21/68/53/575216853.db2.gz KFTGGXGHQJKYRV-JTQLQIEISA-N 0 3 296.396 1.682 10 5 CDBEHN CC(COC(=O)C[C@H]1OCCc2ccccc21)[N+](=O)[O-] ZINC000813114262 617348732 /nfs/dbraw/zinc/34/87/32/617348732.db2.gz OMFRSDMEARCMGO-GXFFZTMASA-N 0 3 279.292 1.899 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928445565 619093657 /nfs/dbraw/zinc/09/36/57/619093657.db2.gz ZCNBGTIRLVZAJA-WDEREUQCSA-N 0 3 277.324 1.726 10 5 CDBEHN CCC/C=C/CCN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001699712136 1176581077 /nfs/dbraw/zinc/58/10/77/1176581077.db2.gz IABJNTUPGXUOBM-QAMKJQMISA-N 0 3 295.383 1.541 10 5 CDBEHN CC[S@@](=O)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788592004 790262953 /nfs/dbraw/zinc/26/29/53/790262953.db2.gz JTPDPFFAIHIXNG-ZRNGKTOUSA-N 0 3 285.369 1.596 10 5 CDBEHN C/C(=C/c1cccnc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000847713739 790358395 /nfs/dbraw/zinc/35/83/95/790358395.db2.gz AGCFEZDLTSPXLV-MBACFSSFSA-N 0 3 250.254 1.693 10 5 CDBEHN Cc1ccnc(N[C@@H]2CCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000719623764 790607967 /nfs/dbraw/zinc/60/79/67/790607967.db2.gz JLZHEBMDNKRWKW-VHSXEESVSA-N 0 3 250.302 1.803 10 5 CDBEHN CC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111916 790251927 /nfs/dbraw/zinc/25/19/27/790251927.db2.gz LPJDSSPXALGRHM-MRVPVSSYSA-N 0 3 251.238 1.711 10 5 CDBEHN CC(COC(=O)Cc1cccc(F)c1F)[N+](=O)[O-] ZINC000813099901 792872801 /nfs/dbraw/zinc/87/28/01/792872801.db2.gz GUUYGOLYDJKRAR-SSDOTTSWSA-N 0 3 259.208 1.716 10 5 CDBEHN CC(COC(=O)CCc1ccc2c(c1)OCCO2)[N+](=O)[O-] ZINC000813114824 793078916 /nfs/dbraw/zinc/07/89/16/793078916.db2.gz HIPZVOCLWDAKBJ-SNVBAGLBSA-N 0 3 295.291 1.599 10 5 CDBEHN CC[C@@H]1C[C@@H](CC(=O)OCC(C)[N+](=O)[O-])CCO1 ZINC000813114852 793269912 /nfs/dbraw/zinc/26/99/12/793269912.db2.gz HUGLWBCFRFMHPI-GARJFASQSA-N 0 3 259.302 1.790 10 5 CDBEHN CC(=O)N[C@H](CC(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813112471 793571676 /nfs/dbraw/zinc/57/16/76/793571676.db2.gz QKSQOXFISRTAJN-GXFFZTMASA-N 0 3 294.307 1.462 10 5 CDBEHN CCc1ccccc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813115257 794041135 /nfs/dbraw/zinc/04/11/35/794041135.db2.gz NWGANEBEZZFSRT-SNVBAGLBSA-N 0 3 251.282 2.000 10 5 CDBEHN CC(C)c1n[nH]c(CC2CCN(CC[N+](=O)[O-])CC2)n1 ZINC000930843466 794256856 /nfs/dbraw/zinc/25/68/56/794256856.db2.gz VBGOFNMBQJXRCI-UHFFFAOYSA-N 0 3 281.360 1.459 10 5 CDBEHN CC(COC(=O)c1ccnc(N2CCCCC2)n1)[N+](=O)[O-] ZINC000813102989 794973275 /nfs/dbraw/zinc/97/32/75/794973275.db2.gz XEXXURRQUYIJHY-SNVBAGLBSA-N 0 3 294.311 1.289 10 5 CDBEHN C[C@H](NC[C@@H](O)C1(O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000930207632 795164273 /nfs/dbraw/zinc/16/42/73/795164273.db2.gz CTDBTKJKMFFVLC-SMDDNHRTSA-N 0 3 294.351 1.911 10 5 CDBEHN CC(COC(=O)CSCC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813106989 796183448 /nfs/dbraw/zinc/18/34/48/796183448.db2.gz JQTVYONSDVNBLR-QMMMGPOBSA-N 0 3 293.341 1.270 10 5 CDBEHN O=[N+]([O-])c1ccccc1CNCC[C@@H](O)C(F)F ZINC000601149921 342482340 /nfs/dbraw/zinc/48/23/40/342482340.db2.gz SZSCHFAXRZNFHU-SNVBAGLBSA-N 0 3 260.240 1.701 10 5 CDBEHN COc1cc(CN2CC[C@@H]3CN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590010431 342519392 /nfs/dbraw/zinc/51/93/92/342519392.db2.gz IZZFDVFNYVREQJ-OCCSQVGLSA-N 0 3 291.351 1.739 10 5 CDBEHN CN(C)CCOC1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000351829230 282106632 /nfs/dbraw/zinc/10/66/32/282106632.db2.gz MPOWUCYMZDEJBQ-UHFFFAOYSA-N 0 3 294.355 1.537 10 5 CDBEHN C[C@@H]1C[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591766425 342645754 /nfs/dbraw/zinc/64/57/54/342645754.db2.gz BAGSRSFRUJJJML-BXKDBHETSA-N 0 3 284.337 1.367 10 5 CDBEHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@]2(CC2(F)F)C1 ZINC000593117250 342770732 /nfs/dbraw/zinc/77/07/32/342770732.db2.gz LJIHFPMEPHFRAP-GFCCVEGCSA-N 0 3 299.277 1.488 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000170856068 361907670 /nfs/dbraw/zinc/90/76/70/361907670.db2.gz YVGWMXUNTQAXBW-VIFPVBQESA-N 0 3 296.302 1.140 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNCC[C@]1(O)CCCOC1 ZINC000593688459 342823203 /nfs/dbraw/zinc/82/32/03/342823203.db2.gz SFNGJQCNIHYNOO-OAHLLOKOSA-N 0 3 294.351 1.924 10 5 CDBEHN NC1(c2ccc([N+](=O)[O-])cc2Br)CC(O)C1 ZINC000675058449 539084194 /nfs/dbraw/zinc/08/41/94/539084194.db2.gz HBZDDRGNPFQUQI-UHFFFAOYSA-N 0 3 287.113 1.666 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000595048064 342999422 /nfs/dbraw/zinc/99/94/22/342999422.db2.gz VCNKSSISJLXCLG-BBBLOLIVSA-N 0 3 293.323 1.518 10 5 CDBEHN C[C@]12COC[C@H]1CN(CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000595756524 343141966 /nfs/dbraw/zinc/14/19/66/343141966.db2.gz GRFHMRMZQRAHDC-DOMZBBRYSA-N 0 3 292.335 1.942 10 5 CDBEHN O=[N+]([O-])c1ccc(OCCN2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000595833873 343169871 /nfs/dbraw/zinc/16/98/71/343169871.db2.gz SMZLUMGVAGNIDI-OLZOCXBDSA-N 0 3 292.335 1.942 10 5 CDBEHN N[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CC[C@H]1F ZINC000596019131 343215146 /nfs/dbraw/zinc/21/51/46/343215146.db2.gz DVGVCMHMDKDMIL-HTQZYQBOSA-N 0 3 274.683 1.519 10 5 CDBEHN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](F)[C@H](N)C1 ZINC000595905867 343188464 /nfs/dbraw/zinc/18/84/64/343188464.db2.gz HZKNYKANGVXQRX-CHWSQXEVSA-N 0 3 297.330 1.865 10 5 CDBEHN Nc1cc(N[C@H]2CCN(C3CC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000596090412 343233777 /nfs/dbraw/zinc/23/37/77/343233777.db2.gz DFCDJFQGJWFQOB-JTQLQIEISA-N 0 3 292.339 1.318 10 5 CDBEHN O=[N+]([O-])c1cc(CNC2(CCO)CCOCC2)cs1 ZINC000610771627 346403605 /nfs/dbraw/zinc/40/36/05/346403605.db2.gz IGJBVCZGKTXVKN-UHFFFAOYSA-N 0 3 286.353 1.678 10 5 CDBEHN CN1CCC[C@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000312007897 350737824 /nfs/dbraw/zinc/73/78/24/350737824.db2.gz RILNVRVVHCKFJA-LBPRGKRZSA-N 0 3 267.304 1.918 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1OC[C@@H](O)CN(C)C1CC1 ZINC000336829755 356289097 /nfs/dbraw/zinc/28/90/97/356289097.db2.gz AVZCPASFXBHYKH-LBPRGKRZSA-N 0 3 280.324 1.737 10 5 CDBEHN C[C@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])cn2)CCN1C ZINC000273580226 192214759 /nfs/dbraw/zinc/21/47/59/192214759.db2.gz FOOJALLGLMNGTQ-VHSXEESVSA-N 0 3 265.317 1.304 10 5 CDBEHN C[C@@H]1C[C@H](Nc2ccncc2[N+](=O)[O-])CCN1C ZINC000090794998 368132389 /nfs/dbraw/zinc/13/23/89/368132389.db2.gz QVUNENJEOUXDRW-NXEZZACHSA-N 0 3 250.302 1.884 10 5 CDBEHN Cc1ccc(C(=O)N2CC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000170861364 369951775 /nfs/dbraw/zinc/95/17/75/369951775.db2.gz GCNIYBHUYMNKJF-LBPRGKRZSA-N 0 3 277.324 1.679 10 5 CDBEHN O=[N+]([O-])c1ccccc1CNC[C@H]1CCC[C@@H]1O ZINC000089161698 370226989 /nfs/dbraw/zinc/22/69/89/370226989.db2.gz IROKUQWFNMAIBQ-YPMHNXCESA-N 0 3 250.298 1.845 10 5 CDBEHN COCC[C@H](C)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123490708 374679569 /nfs/dbraw/zinc/67/95/69/374679569.db2.gz BNQVRALKIGUAIF-LEWSCRJBSA-N 0 3 298.339 1.004 10 5 CDBEHN CCN1CC[C@H](Nc2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000389397251 374716878 /nfs/dbraw/zinc/71/68/78/374716878.db2.gz JZTZLOROCKVQIF-VIFPVBQESA-N 0 3 253.306 1.143 10 5 CDBEHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C)[C@H](C)C2)n1 ZINC000331181072 374903140 /nfs/dbraw/zinc/90/31/40/374903140.db2.gz HURIHSQNFUNRNM-ZJUUUORDSA-N 0 3 295.343 1.024 10 5 CDBEHN COC(=O)[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000299328307 375164954 /nfs/dbraw/zinc/16/49/54/375164954.db2.gz KQKFYQGVMVXHFF-NSHDSACASA-N 0 3 294.307 1.469 10 5 CDBEHN CN1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000425282299 393015177 /nfs/dbraw/zinc/01/51/77/393015177.db2.gz KMMPGBUQKXNTKE-CMPLNLGQSA-N 0 3 262.313 1.520 10 5 CDBEHN COc1cc(CN2CCC[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000426227836 393039673 /nfs/dbraw/zinc/03/96/73/393039673.db2.gz NSAHSZPEDVCHKA-LBPRGKRZSA-N 0 3 280.324 1.950 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN(CCO)[C@@H]1CCO[C@@H]1C ZINC000449677684 393138818 /nfs/dbraw/zinc/13/88/18/393138818.db2.gz NJOPYWJZJBTKFA-IUODEOHRSA-N 0 3 294.351 1.875 10 5 CDBEHN O=C1C[C@]2(CCN(Cc3cccc([N+](=O)[O-])c3)C2)CN1 ZINC000278863797 393142727 /nfs/dbraw/zinc/14/27/27/393142727.db2.gz LMEWIHHDOVYHIA-CQSZACIVSA-N 0 3 275.308 1.307 10 5 CDBEHN CO[C@H]1C[C@@H](CN(C)c2ccc(F)cc2[N+](=O)[O-])N(C)C1 ZINC000284508610 196073602 /nfs/dbraw/zinc/07/36/02/196073602.db2.gz IXLHNQWSNPEGJY-RYUDHWBXSA-N 0 3 297.330 1.889 10 5 CDBEHN CC[C@@H](C)[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000035231910 172071690 /nfs/dbraw/zinc/07/16/90/172071690.db2.gz NCCAUSZFESISCS-KCJUWKMLSA-N 0 3 251.286 1.907 10 5 CDBEHN O=C(CNC1CC1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000037386754 173169811 /nfs/dbraw/zinc/16/98/11/173169811.db2.gz ISZHZDFVUVQZAJ-UHFFFAOYSA-N 0 3 253.233 1.424 10 5 CDBEHN COC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1CNC1CC1 ZINC000043625139 175081268 /nfs/dbraw/zinc/08/12/68/175081268.db2.gz IPPOEMXSFBHRTL-VIFPVBQESA-N 0 3 294.307 1.787 10 5 CDBEHN CCN[C@@H]1CCN(c2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000071036924 176025792 /nfs/dbraw/zinc/02/57/92/176025792.db2.gz HCYNIERYCZSIGT-SNVBAGLBSA-N 0 3 283.715 1.963 10 5 CDBEHN CN(c1ccc([N+](=O)[O-])cn1)[C@@H]1CCN(C2CC2)C1 ZINC000352958412 277002988 /nfs/dbraw/zinc/00/29/88/277002988.db2.gz JVUDVMGUNYAQKB-GFCCVEGCSA-N 0 3 262.313 1.663 10 5 CDBEHN C[C@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)CCN1 ZINC000095069516 279886664 /nfs/dbraw/zinc/88/66/64/279886664.db2.gz NUNMGVVGOIABSQ-VIFPVBQESA-N 0 3 273.296 1.336 10 5 CDBEHN CC(C)N[C@@](C)(CSc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000045549532 519735958 /nfs/dbraw/zinc/73/59/58/519735958.db2.gz PCNBPAVSIRMEKN-ZDUSSCGKSA-N 0 3 297.380 1.929 10 5 CDBEHN CC1(C)NC(=O)CC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000338473460 520592287 /nfs/dbraw/zinc/59/22/87/520592287.db2.gz LHEXNJDCBSUZRS-LBPRGKRZSA-N 0 3 277.324 1.742 10 5 CDBEHN CN(C)[C@@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183551700 522052478 /nfs/dbraw/zinc/05/24/78/522052478.db2.gz JKEBXZOPPXIDQR-SECBINFHSA-N 0 3 279.300 1.158 10 5 CDBEHN COc1cc(CN)c([N+](=O)[O-])cc1OCc1ncccn1 ZINC000054458438 522362867 /nfs/dbraw/zinc/36/28/67/522362867.db2.gz MSTIXHRLTHWXBS-UHFFFAOYSA-N 0 3 290.279 1.431 10 5 CDBEHN CNC(=O)[C@H](C)Oc1cc(CNC(C)C)ccc1[N+](=O)[O-] ZINC000050517186 524099577 /nfs/dbraw/zinc/09/95/77/524099577.db2.gz FPSGGKOIVNTETD-JTQLQIEISA-N 0 3 295.339 1.606 10 5 CDBEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000069133008 525097297 /nfs/dbraw/zinc/09/72/97/525097297.db2.gz MVULXWQTCKBBFM-RKDXNWHRSA-N 0 3 281.287 1.556 10 5 CDBEHN CCn1cc([N+](=O)[O-])c(C(=O)NCCN2CCC[C@H]2C)n1 ZINC000757672300 577049924 /nfs/dbraw/zinc/04/99/24/577049924.db2.gz CJKZOVFMLCJVDR-SNVBAGLBSA-N 0 3 295.343 1.025 10 5 CDBEHN CC(=O)N(C)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102023 617342275 /nfs/dbraw/zinc/34/22/75/617342275.db2.gz NDXLDRLLYZMYJZ-VIFPVBQESA-N 0 3 280.280 1.491 10 5 CDBEHN C[C@@H]1CN(c2nn(C)cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC001642736381 1167194195 /nfs/dbraw/zinc/19/41/95/1167194195.db2.gz BDMJRDUEQXSIBL-JTQLQIEISA-N 0 3 279.344 1.249 10 5 CDBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C1CCC1 ZINC001567457940 1168778128 /nfs/dbraw/zinc/77/81/28/1168778128.db2.gz WSRNBUXGDCHTIE-UHFFFAOYSA-N 0 3 291.351 1.943 10 5 CDBEHN O=[N+]([O-])c1cnccc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252667594 1177232174 /nfs/dbraw/zinc/23/21/74/1177232174.db2.gz LYWNZQGMBPEIBH-QWRGUYRKSA-N 0 3 278.312 1.265 10 5 CDBEHN CC(COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)[N+](=O)[O-] ZINC000813109055 1163815431 /nfs/dbraw/zinc/81/54/31/1163815431.db2.gz NTINPRSSYFJSAN-WDEREUQCSA-N 0 3 298.339 1.376 10 5 CDBEHN CC(COC(=O)[C@H]1CC(=O)c2ccccc21)[N+](=O)[O-] ZINC000813113218 1163815753 /nfs/dbraw/zinc/81/57/53/1163815753.db2.gz XVTRSVZFWVDQCH-KCJUWKMLSA-N 0 3 263.249 1.565 10 5 CDBEHN COC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813109505 1163816625 /nfs/dbraw/zinc/81/66/25/1163816625.db2.gz JZKVTKHYZNMFPU-ZCFIWIBFSA-N 0 3 273.266 1.357 10 5 CDBEHN COc1ccc(C)cc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813115728 1163817312 /nfs/dbraw/zinc/81/73/12/1163817312.db2.gz YUXMLFAXZTVHRC-JTQLQIEISA-N 0 3 267.281 1.755 10 5 CDBEHN CCCn1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813113788 1163817466 /nfs/dbraw/zinc/81/74/66/1163817466.db2.gz IYKXAGQXPPKPPW-QMMMGPOBSA-N 0 3 269.301 1.732 10 5 CDBEHN COCCC1(C(=O)OCC(C)[N+](=O)[O-])CCCC1 ZINC000813114531 1163817596 /nfs/dbraw/zinc/81/75/96/1163817596.db2.gz SLBCVVQKGWYKFI-SNVBAGLBSA-N 0 3 259.302 1.792 10 5 CDBEHN COCc1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112861 796844594 /nfs/dbraw/zinc/84/45/94/796844594.db2.gz VADFEGQZSCYYHB-JTQLQIEISA-N 0 3 267.281 1.584 10 5 CDBEHN CCOc1ccccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107791 796864948 /nfs/dbraw/zinc/86/49/48/796864948.db2.gz WNDUZDYLCJZAMO-SECBINFHSA-N 0 3 253.254 1.907 10 5 CDBEHN CC(COC(=O)c1cnc(OCC2CC2)cn1)[N+](=O)[O-] ZINC000813112325 796896539 /nfs/dbraw/zinc/89/65/39/796896539.db2.gz FHIBYBQEYWVFPJ-QMMMGPOBSA-N 0 3 281.268 1.087 10 5 CDBEHN CO[C@@](C)(CO)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848556328 797392263 /nfs/dbraw/zinc/39/22/63/797392263.db2.gz UQOURVALZLQVBL-TVQRCGJNSA-N 0 3 283.328 1.225 10 5 CDBEHN CC(COC(=O)c1occ2c1CCOC2)[N+](=O)[O-] ZINC000813114502 797421600 /nfs/dbraw/zinc/42/16/00/797421600.db2.gz RVHPKYRXPRYURU-SSDOTTSWSA-N 0 3 255.226 1.174 10 5 CDBEHN Cc1c(CN2C[C@H](CO)[C@@H](CCO)C2)cccc1[N+](=O)[O-] ZINC001176964294 914404052 /nfs/dbraw/zinc/40/40/52/914404052.db2.gz AFLWSLSEXBLVNT-UONOGXRCSA-N 0 3 294.351 1.326 10 5 CDBEHN CCOC(=O)C[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000859318109 929002181 /nfs/dbraw/zinc/00/21/81/929002181.db2.gz BVYDRGOSCMMABR-GWCFXTLKSA-N 0 3 296.323 1.560 10 5 CDBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ccc([N+](=O)[O-])cc1 ZINC000826677899 931409015 /nfs/dbraw/zinc/40/90/15/931409015.db2.gz RRFBUXIEWMDUNK-LLVKDONJSA-N 0 3 292.339 1.151 10 5 CDBEHN CNc1c(C(=O)N[C@H]2CCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000928433678 933142378 /nfs/dbraw/zinc/14/23/78/933142378.db2.gz BATBUXJAPLYDNS-KOLCDFICSA-N 0 3 292.339 1.459 10 5 CDBEHN CN(C)CCONC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001329295449 955805051 /nfs/dbraw/zinc/80/50/51/955805051.db2.gz KXBNAOUMAQYUFF-UHFFFAOYSA-N 0 3 292.295 1.299 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000590446068 342546667 /nfs/dbraw/zinc/54/66/67/342546667.db2.gz QZEUPCONUKFTTN-GXFFZTMASA-N 0 3 290.323 1.074 10 5 CDBEHN C[C@@H]1[C@@H](C)N(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C ZINC000590696051 342583625 /nfs/dbraw/zinc/58/36/25/342583625.db2.gz NQQYZBRUBPQDRC-NXEZZACHSA-N 0 3 289.339 2.000 10 5 CDBEHN NC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000401709511 342613745 /nfs/dbraw/zinc/61/37/45/342613745.db2.gz HDAHSKSVPIRMJP-MRVPVSSYSA-N 0 3 295.192 1.353 10 5 CDBEHN CC(C)(CNCc1ccccc1[N+](=O)[O-])[C@@]1(O)CCOC1 ZINC000592375638 342686797 /nfs/dbraw/zinc/68/67/97/342686797.db2.gz XXRORNIXKWAPDI-OAHLLOKOSA-N 0 3 294.351 1.862 10 5 CDBEHN C/C=C/CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600758167 342247724 /nfs/dbraw/zinc/24/77/24/342247724.db2.gz WERHYLGQDSJYRY-JDGPPOGSSA-N 0 3 266.297 1.500 10 5 CDBEHN COc1cccc([N+](=O)[O-])c1N[C@@H](C)CN(C)C ZINC000594581656 342920936 /nfs/dbraw/zinc/92/09/36/342920936.db2.gz SDMPYEXCWFKHFO-VIFPVBQESA-N 0 3 253.302 1.965 10 5 CDBEHN O=[N+]([O-])c1cccc(CN[C@@H]2C[C@H](O)C23CCC3)c1 ZINC000594985819 342993847 /nfs/dbraw/zinc/99/38/47/342993847.db2.gz AHAMXNYMLVRJOW-OLZOCXBDSA-N 0 3 262.309 1.988 10 5 CDBEHN Cc1c(CC(=O)N2CC[C@@H](F)[C@H](N)C2)cccc1[N+](=O)[O-] ZINC000595260692 343014443 /nfs/dbraw/zinc/01/44/43/343014443.db2.gz IYKTXUGLFSINIH-VXGBXAGGSA-N 0 3 295.314 1.343 10 5 CDBEHN Cc1ccc(CNCC2CC(O)C2)cc1[N+](=O)[O-] ZINC000091424269 349756570 /nfs/dbraw/zinc/75/65/70/349756570.db2.gz IRDSGGUXWUTGDU-UHFFFAOYSA-N 0 3 250.298 1.764 10 5 CDBEHN C[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])[C@H](C)CO ZINC000595429111 343058083 /nfs/dbraw/zinc/05/80/83/343058083.db2.gz LPIJJYRVMJMJHL-RKDXNWHRSA-N 0 3 256.277 1.840 10 5 CDBEHN CN1CCC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000604476295 344894205 /nfs/dbraw/zinc/89/42/05/344894205.db2.gz KEBDFXCUHSVCOT-LBPRGKRZSA-N 0 3 292.339 1.488 10 5 CDBEHN COC(=O)[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000107848119 186195250 /nfs/dbraw/zinc/19/52/50/186195250.db2.gz AQMJYIGRMYKXDG-GFCCVEGCSA-N 0 3 278.308 1.632 10 5 CDBEHN CC1(C)[C@H](O)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000336797125 356268638 /nfs/dbraw/zinc/26/86/38/356268638.db2.gz YWIZNJZBIUWSHG-GFCCVEGCSA-N 0 3 250.298 1.940 10 5 CDBEHN C[C@@H]1C[C@@H](Nc2ccncc2[N+](=O)[O-])CN1C1CC1 ZINC000361062455 357790836 /nfs/dbraw/zinc/79/08/36/357790836.db2.gz LYSHJOBGRQBLEZ-NXEZZACHSA-N 0 3 262.313 1.449 10 5 CDBEHN C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])nc2)CCN1C ZINC000581469700 363994915 /nfs/dbraw/zinc/99/49/15/363994915.db2.gz ZCEIHCXUHGOOPE-GHMZBOCLSA-N 0 3 264.329 1.909 10 5 CDBEHN C[C@H]1C[C@@H](N(C)c2c([N+](=O)[O-])ncn2C)CCN1C ZINC000266213795 373976243 /nfs/dbraw/zinc/97/62/43/373976243.db2.gz GRDAOROOMRFKAK-UWVGGRQHSA-N 0 3 267.333 1.247 10 5 CDBEHN CNC(=O)[C@H]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000420967775 374307691 /nfs/dbraw/zinc/30/76/91/374307691.db2.gz ALJKHRLVONOBAZ-QWRGUYRKSA-N 0 3 277.324 1.724 10 5 CDBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](CC(N)=O)C1 ZINC000368571669 374316898 /nfs/dbraw/zinc/31/68/98/374316898.db2.gz FMXDCPYJRRGCAF-GHMZBOCLSA-N 0 3 277.324 1.853 10 5 CDBEHN COC[C@@](C)(O)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000449383659 374803030 /nfs/dbraw/zinc/80/30/30/374803030.db2.gz JADCOVIOYPFBOR-ZDUSSCGKSA-N 0 3 268.313 1.472 10 5 CDBEHN CN[C@H](C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000054074573 376576866 /nfs/dbraw/zinc/57/68/66/376576866.db2.gz HBJGKOADKGHKQV-DTWKUNHWSA-N 0 3 251.286 1.380 10 5 CDBEHN CN(C)[C@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000151430452 378462684 /nfs/dbraw/zinc/46/26/84/378462684.db2.gz HLYNBGJAYVJSKN-AWEZNQCLSA-N 0 3 291.351 1.690 10 5 CDBEHN C[C@H]1CN(C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000450379969 251254270 /nfs/dbraw/zinc/25/42/70/251254270.db2.gz QNLJUUQLKPOPKT-JOYOIKCWSA-N 0 3 262.313 1.884 10 5 CDBEHN CC(=O)[C@@](C)(O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000450679580 251399354 /nfs/dbraw/zinc/39/93/54/251399354.db2.gz WSLTYLNGKAIHSE-RNCFNFMXSA-N 0 3 266.297 1.585 10 5 CDBEHN CC(C)[C@@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000432780013 390490483 /nfs/dbraw/zinc/49/04/83/390490483.db2.gz JJRYJUHXFLBRFZ-AAEUAGOBSA-N 0 3 294.355 1.493 10 5 CDBEHN CC(C)N(C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H](O)CO ZINC000421409776 392934742 /nfs/dbraw/zinc/93/47/42/392934742.db2.gz NNOVCBLDWGQIQG-HZRUHFOJSA-N 0 3 294.351 1.672 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN(C)C1CC(O)C1 ZINC000355371729 157011286 /nfs/dbraw/zinc/01/12/86/157011286.db2.gz ONANZLNESHINRF-UHFFFAOYSA-N 0 3 250.298 1.858 10 5 CDBEHN CO[C@H]1CN[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000040633266 174359439 /nfs/dbraw/zinc/35/94/39/174359439.db2.gz SOBBKICVZNJPIQ-PSASIEDQSA-N 0 3 299.714 1.564 10 5 CDBEHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000040676172 174373954 /nfs/dbraw/zinc/37/39/54/174373954.db2.gz FBLKIEAALQEKQV-GFCCVEGCSA-N 0 3 291.351 1.738 10 5 CDBEHN CCCNCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000044288130 175159620 /nfs/dbraw/zinc/15/96/20/175159620.db2.gz ITYCMEOHSYJQLD-UHFFFAOYSA-N 0 3 251.286 1.841 10 5 CDBEHN N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000070987333 176018578 /nfs/dbraw/zinc/01/85/78/176018578.db2.gz VIFATXYOIDMBMP-RISCZKNCSA-N 0 3 275.308 1.748 10 5 CDBEHN O=C1[C@H](NC2CC2)CCN1c1ccc(F)c([N+](=O)[O-])c1 ZINC000071039936 176027078 /nfs/dbraw/zinc/02/70/78/176027078.db2.gz LAZGNPLCCRLVJF-LLVKDONJSA-N 0 3 279.271 1.591 10 5 CDBEHN O=[N+]([O-])c1ccc(CN2CCCN(CCO)CC2)cc1 ZINC000071350251 176134154 /nfs/dbraw/zinc/13/41/54/176134154.db2.gz KUGQJWANTSKGGQ-UHFFFAOYSA-N 0 3 279.340 1.095 10 5 CDBEHN Cc1ccc(CNCCc2cn(C)cn2)cc1[N+](=O)[O-] ZINC000313266674 260273915 /nfs/dbraw/zinc/27/39/15/260273915.db2.gz SIJIZJQVUZRORM-UHFFFAOYSA-N 0 3 274.324 1.969 10 5 CDBEHN CN(C)[C@@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255101842 289355972 /nfs/dbraw/zinc/35/59/72/289355972.db2.gz QCAIJLUHAJTYPR-BMWLXYDHSA-N 0 3 289.335 1.771 10 5 CDBEHN CC(C)OC[C@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000052926334 519774049 /nfs/dbraw/zinc/77/40/49/519774049.db2.gz QFKPSGAIDQFEPW-CYBMUJFWSA-N 0 3 268.313 1.470 10 5 CDBEHN CCN[C@](COc1ccccc1[N+](=O)[O-])(C(N)=O)C1CC1 ZINC000069194173 520251321 /nfs/dbraw/zinc/25/13/21/520251321.db2.gz PSIXUQDOCKZUGG-AWEZNQCLSA-N 0 3 293.323 1.217 10 5 CDBEHN CCNc1cc(C(=O)NCCN(C)C)c([N+](=O)[O-])cc1F ZINC000050725923 520261983 /nfs/dbraw/zinc/26/19/83/520261983.db2.gz KDPRAKYNGMQVFS-UHFFFAOYSA-N 0 3 298.318 1.457 10 5 CDBEHN CN[C@@](C)(C[C@@H](C)Oc1cc([N+](=O)[O-])ccc1C)C(N)=O ZINC000068651341 522416222 /nfs/dbraw/zinc/41/62/22/522416222.db2.gz PQBZXQLWOOFKBW-YGRLFVJLSA-N 0 3 295.339 1.524 10 5 CDBEHN C[C@H]1CNC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000069133194 524700022 /nfs/dbraw/zinc/70/00/22/524700022.db2.gz SEWZBHWIMUTVSG-YUMQZZPRSA-N 0 3 253.258 1.010 10 5 CDBEHN Nc1ccc(CN2CCCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000050792867 527481843 /nfs/dbraw/zinc/48/18/43/527481843.db2.gz SOOKHXVEFRYNLS-LBPRGKRZSA-N 0 3 279.340 1.914 10 5 CDBEHN CC(COC(=O)CCC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813104763 617343086 /nfs/dbraw/zinc/34/30/86/617343086.db2.gz REBPFTQHSIGWHL-MRVPVSSYSA-N 0 3 261.274 1.317 10 5 CDBEHN C[C@H]1[C@@H](NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CCN1C ZINC000931607622 618074488 /nfs/dbraw/zinc/07/44/88/618074488.db2.gz LHMNDAROPRIMPG-KWQFWETISA-N 0 3 296.302 1.948 10 5 CDBEHN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000910282153 628957798 /nfs/dbraw/zinc/95/77/98/628957798.db2.gz SKQAMWKTSAIYCV-NSHDSACASA-N 0 3 292.339 1.546 10 5 CDBEHN CCN1CCC[C@H](Nc2nn(C)cc2[N+](=O)[O-])C1 ZINC000231667621 1178173345 /nfs/dbraw/zinc/17/33/45/1178173345.db2.gz KKJVOWKGMZSZPA-VIFPVBQESA-N 0 3 253.306 1.225 10 5 CDBEHN CC(COC(=O)[C@H]1CCC(=O)c2cccn21)[N+](=O)[O-] ZINC000813106627 805293650 /nfs/dbraw/zinc/29/36/50/805293650.db2.gz FVXRVYXMRSSYRX-WCBMZHEXSA-N 0 3 266.253 1.214 10 5 CDBEHN CC(COC(=O)[C@H](C)NC(=O)C1CCCCC1)[N+](=O)[O-] ZINC000813102671 805319238 /nfs/dbraw/zinc/31/92/38/805319238.db2.gz INJBXVRISHWGIR-UWVGGRQHSA-N 0 3 286.328 1.280 10 5 CDBEHN CC(C)C(=O)N1CCCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110227 811355629 /nfs/dbraw/zinc/35/56/29/811355629.db2.gz VFIICUKIOVHMHN-GHMZBOCLSA-N 0 3 286.328 1.232 10 5 CDBEHN COc1cc(F)c([N+](=O)[O-])c(N[C@H](CO)CN(C)C)c1 ZINC000809340199 812101293 /nfs/dbraw/zinc/10/12/93/812101293.db2.gz GUKLFUBSWDAAFN-QMMMGPOBSA-N 0 3 287.291 1.077 10 5 CDBEHN C[C@@H]1[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000928458711 812866061 /nfs/dbraw/zinc/86/60/61/812866061.db2.gz XOKFSFPGAIVGEW-MFKMUULPSA-N 0 3 293.323 1.182 10 5 CDBEHN Cc1nn(C)c(Cl)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112144 814188520 /nfs/dbraw/zinc/18/85/20/814188520.db2.gz CJDRRMXVAOZPNH-RXMQYKEDSA-N 0 3 261.665 1.204 10 5 CDBEHN CC(COC(=O)/C=C/c1cncc(F)c1)[N+](=O)[O-] ZINC000813106864 814674298 /nfs/dbraw/zinc/67/42/98/814674298.db2.gz IXWVGOSWFPGSIS-UFUPEUMYSA-N 0 3 254.217 1.442 10 5 CDBEHN Cc1cccc(C(=O)N[C@@H]2CCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000928455679 817824178 /nfs/dbraw/zinc/82/41/78/817824178.db2.gz SWBHTUIJMSQHKS-CMPLNLGQSA-N 0 3 277.324 1.726 10 5 CDBEHN CN(C)C1(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CCCC1 ZINC001141767591 936937265 /nfs/dbraw/zinc/93/72/65/936937265.db2.gz MBYBLQHEYBRTQB-UHFFFAOYSA-N 0 3 292.339 1.990 10 5 CDBEHN CN1C[C@H]2[C@@H](CCN2Cc2csc([N+](=O)[O-])c2)C1 ZINC000590010982 342519368 /nfs/dbraw/zinc/51/93/68/342519368.db2.gz DKDUUCLLYKSXHJ-QWRGUYRKSA-N 0 3 267.354 1.792 10 5 CDBEHN NC[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C(F)(F)F ZINC000401663334 342588682 /nfs/dbraw/zinc/58/86/82/342588682.db2.gz ZHIFXNKLTDQLPH-RXMQYKEDSA-N 0 3 283.231 1.276 10 5 CDBEHN C[C@@H](NC[C@@H](O)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC001657984682 1172000826 /nfs/dbraw/zinc/00/08/26/1172000826.db2.gz FYROZOLPQIHNLQ-BXKDBHETSA-N 0 3 268.313 1.377 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CN)C(F)(F)F ZINC000401718709 342626933 /nfs/dbraw/zinc/62/69/33/342626933.db2.gz IESSBZFLDYTKFV-VIFPVBQESA-N 0 3 291.229 1.523 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@@H](CO)C2CCC2)c(F)c1 ZINC000594958041 342983958 /nfs/dbraw/zinc/98/39/58/342983958.db2.gz YBUDAGXRQJGSEL-ZDUSSCGKSA-N 0 3 268.288 1.985 10 5 CDBEHN C[C@@H](NC[C@@]1(O)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595413747 343051154 /nfs/dbraw/zinc/05/11/54/343051154.db2.gz GXTXTCGEEFRXEV-RISCZKNCSA-N 0 3 280.324 1.787 10 5 CDBEHN C[C@@]12COC[C@@H]1CN(CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000595756527 343141864 /nfs/dbraw/zinc/14/18/64/343141864.db2.gz GRFHMRMZQRAHDC-SWLSCSKDSA-N 0 3 292.335 1.942 10 5 CDBEHN CC(C)(C)N1CC[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000596306933 343293382 /nfs/dbraw/zinc/29/33/82/343293382.db2.gz JTTLJYHNAXHPCA-VIFPVBQESA-N 0 3 265.317 1.091 10 5 CDBEHN COC(=O)c1ccnc(NC[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000598587436 343835170 /nfs/dbraw/zinc/83/51/70/343835170.db2.gz AEJLAMPNGKASER-VIFPVBQESA-N 0 3 294.311 1.283 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1C[C@H](C(N)=O)C1 ZINC000599005391 343937682 /nfs/dbraw/zinc/93/76/82/343937682.db2.gz ZDTQKTWMWAVLJY-XYPYZODXSA-N 0 3 263.297 1.257 10 5 CDBEHN C[C@H](NC[C@H]1COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000599075864 343949559 /nfs/dbraw/zinc/94/95/59/343949559.db2.gz ALLKDPNTYPPZJB-FZMZJTMJSA-N 0 3 279.340 1.576 10 5 CDBEHN C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000599101675 343954585 /nfs/dbraw/zinc/95/45/85/343954585.db2.gz AFXCTMDZWBNTCM-VHSXEESVSA-N 0 3 299.352 1.014 10 5 CDBEHN CC[C@H](NC[C@@H]1COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000599081627 343956997 /nfs/dbraw/zinc/95/69/97/343956997.db2.gz SORYKAWFVYKVDQ-CABCVRRESA-N 0 3 293.367 1.966 10 5 CDBEHN C[C@@H](CO)[C@H](C)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000167106102 362978773 /nfs/dbraw/zinc/97/87/73/362978773.db2.gz XIWLLXAVVPAPCB-IUCAKERBSA-N 0 3 256.277 1.840 10 5 CDBEHN Cc1cnc(N2C[C@H]3CCCN3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000408240511 358475363 /nfs/dbraw/zinc/47/53/63/358475363.db2.gz NLJKNYCKBYARIX-VXGBXAGGSA-N 0 3 276.340 1.971 10 5 CDBEHN CC1(C)[C@H](O)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000336794877 356261900 /nfs/dbraw/zinc/26/19/00/356261900.db2.gz GMDKDYIAPSEBEF-GFCCVEGCSA-N 0 3 250.298 1.940 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@H]2CCC[C@@H](O)C2)cc1 ZINC000037163601 363530698 /nfs/dbraw/zinc/53/06/98/363530698.db2.gz FLBSGOBGILZAIB-WCQYABFASA-N 0 3 250.298 1.988 10 5 CDBEHN CO[C@@H](C)[C@@H](C)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000290537846 357213794 /nfs/dbraw/zinc/21/37/94/357213794.db2.gz LHJDXZGHUOBAFH-MXWKQRLJSA-N 0 3 295.339 1.935 10 5 CDBEHN CO[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1C ZINC000189332931 357997252 /nfs/dbraw/zinc/99/72/52/357997252.db2.gz LMTKYBHPFNRKBB-QWRGUYRKSA-N 0 3 268.317 1.148 10 5 CDBEHN NCc1ccc([N+](=O)[O-])cc1I ZINC000238681312 361710115 /nfs/dbraw/zinc/71/01/15/361710115.db2.gz GLDNHLZONBDSDR-UHFFFAOYSA-N 0 3 278.049 1.658 10 5 CDBEHN CC1(C)CCCN1CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000581532954 363998755 /nfs/dbraw/zinc/99/87/55/363998755.db2.gz WSBHGBWYXJXRPC-UHFFFAOYSA-N 0 3 292.339 1.594 10 5 CDBEHN C[C@]12CCN(CCn3cc([N+](=O)[O-])cn3)C[C@H]1C2(F)F ZINC000298365090 373513736 /nfs/dbraw/zinc/51/37/36/373513736.db2.gz UOMDRWGIGRNMAQ-MNOVXSKESA-N 0 3 286.282 1.768 10 5 CDBEHN Cc1ccc([C@H](C)NC[C@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000091666732 374091359 /nfs/dbraw/zinc/09/13/59/374091359.db2.gz GITQOEHHBUAVSV-JSGCOSHPSA-N 0 3 293.367 1.884 10 5 CDBEHN CN(C)C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000114562980 374322145 /nfs/dbraw/zinc/32/21/45/374322145.db2.gz FFVZNBONYONKKU-HNNXBMFYSA-N 0 3 293.367 1.400 10 5 CDBEHN Cc1cc(N2CCN3CCC2CC3)ncc1[N+](=O)[O-] ZINC000302791747 375251855 /nfs/dbraw/zinc/25/18/55/375251855.db2.gz YQUYGHFZJWZTFB-UHFFFAOYSA-N 0 3 262.313 1.583 10 5 CDBEHN C[C@H](CCNCc1ccccc1[N+](=O)[O-])[S@@](C)=O ZINC000129344437 375191514 /nfs/dbraw/zinc/19/15/14/375191514.db2.gz KSNRRLMDHLEFQR-MGNBDDOMSA-N 0 3 270.354 1.842 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000049095706 375401988 /nfs/dbraw/zinc/40/19/88/375401988.db2.gz OZQZELDTZGMBEQ-JTQLQIEISA-N 0 3 281.287 1.558 10 5 CDBEHN Cc1cccc(C(=O)NC[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000049096791 375402261 /nfs/dbraw/zinc/40/22/61/375402261.db2.gz URVHNENSGXYQNZ-NSHDSACASA-N 0 3 277.324 1.727 10 5 CDBEHN C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1C ZINC000266032469 190225248 /nfs/dbraw/zinc/22/52/48/190225248.db2.gz AGLNFGHVPRZKQC-VHSXEESVSA-N 0 3 280.328 1.478 10 5 CDBEHN CCN1CC[C@@H](N(C)c2ncc([N+](=O)[O-])c(C)n2)[C@H](C)C1 ZINC000450348699 251238323 /nfs/dbraw/zinc/23/83/23/251238323.db2.gz MAGRRCUZQYZXSC-ZYHUDNBSSA-N 0 3 293.371 1.860 10 5 CDBEHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H]2C2CC2)c1 ZINC000453011444 252250427 /nfs/dbraw/zinc/25/04/27/252250427.db2.gz HVPGLJUSUWGOMX-UKRRQHHQSA-N 0 3 292.335 1.819 10 5 CDBEHN CC(C)[C@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000432780016 390490403 /nfs/dbraw/zinc/49/04/03/390490403.db2.gz JJRYJUHXFLBRFZ-WCQYABFASA-N 0 3 294.355 1.493 10 5 CDBEHN CC1(C)CCCN1CCNc1ccncc1[N+](=O)[O-] ZINC000450946528 390579206 /nfs/dbraw/zinc/57/92/06/390579206.db2.gz AJOCLTITMLNZEM-UHFFFAOYSA-N 0 3 264.329 1.698 10 5 CDBEHN CN1CCNC[C@@H]1c1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000263298556 390535508 /nfs/dbraw/zinc/53/55/08/390535508.db2.gz WTCRZLJZMUQTND-LLVKDONJSA-N 0 3 289.295 1.221 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000195320943 140154495 /nfs/dbraw/zinc/15/44/95/140154495.db2.gz LPNIUDDEDWBAES-NSHDSACASA-N 0 3 290.323 1.218 10 5 CDBEHN COc1cc(CNC2(CO)CCOCC2)ccc1[N+](=O)[O-] ZINC000352416522 155174482 /nfs/dbraw/zinc/17/44/82/155174482.db2.gz HOTUTNFOVDZBFW-UHFFFAOYSA-N 0 3 296.323 1.235 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCC[C@@]3(CCCOC3)C2)c1 ZINC000355748638 157216148 /nfs/dbraw/zinc/21/61/48/157216148.db2.gz RGMKGSIHYFXHFS-CQSZACIVSA-N 0 3 294.355 1.684 10 5 CDBEHN C[C@H](Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)N(C)C ZINC000358783762 158024576 /nfs/dbraw/zinc/02/45/76/158024576.db2.gz GBBLGUYIJQIKBG-SECBINFHSA-N 0 3 292.295 1.362 10 5 CDBEHN CO[C@H]1CN[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000040633256 174359552 /nfs/dbraw/zinc/35/95/52/174359552.db2.gz PVHAJNDLWOHYHC-KOLCDFICSA-N 0 3 279.296 1.219 10 5 CDBEHN CCCNCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000044648774 175223930 /nfs/dbraw/zinc/22/39/30/175223930.db2.gz SSZNFARNTNHVBD-UHFFFAOYSA-N 0 3 273.239 1.811 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCN(C2CC2)C1 ZINC000044722728 175236798 /nfs/dbraw/zinc/23/67/98/175236798.db2.gz AQFJLICREBFKPH-LBPRGKRZSA-N 0 3 291.351 1.930 10 5 CDBEHN CC(C)N[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1=O ZINC000071036984 176026034 /nfs/dbraw/zinc/02/60/34/176026034.db2.gz WXZJFFPNDKPBSA-NSHDSACASA-N 0 3 281.287 1.837 10 5 CDBEHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[C@H]2O)cc1 ZINC000089162864 270232507 /nfs/dbraw/zinc/23/25/07/270232507.db2.gz WKFLAXVNJWFUBJ-WCQYABFASA-N 0 3 250.298 1.845 10 5 CDBEHN CCN1CCC[C@H]1CN(C)c1ncccc1[N+](=O)[O-] ZINC000267080307 276183780 /nfs/dbraw/zinc/18/37/80/276183780.db2.gz RZARWURIFQKSOT-NSHDSACASA-N 0 3 264.329 1.910 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000226518879 277081249 /nfs/dbraw/zinc/08/12/49/277081249.db2.gz LWIUMPUCXPGYKS-JTQLQIEISA-N 0 3 281.287 1.558 10 5 CDBEHN C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1 ZINC000094771565 279889266 /nfs/dbraw/zinc/88/92/66/279889266.db2.gz HVTXXFLIJHUYRE-QMMMGPOBSA-N 0 3 261.285 1.269 10 5 CDBEHN CN[C@@H](C)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000052395569 522320937 /nfs/dbraw/zinc/32/09/37/522320937.db2.gz FIWKBNRINDNUEO-LURJTMIESA-N 0 3 257.677 1.795 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(OC[C@H](C)C(N)=O)c1 ZINC000050517011 520002588 /nfs/dbraw/zinc/00/25/88/520002588.db2.gz XPVKBWSYXCNDJY-VIFPVBQESA-N 0 3 281.312 1.205 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(OC[C@@H]2CCOC2)c1 ZINC000050516719 522125585 /nfs/dbraw/zinc/12/55/85/522125585.db2.gz HQFPBJUPPRPAHF-LLVKDONJSA-N 0 3 266.297 1.730 10 5 CDBEHN CN[C@@](COc1ccc([N+](=O)[O-])c(C)c1)(C(N)=O)C1CC1 ZINC000069194251 522430122 /nfs/dbraw/zinc/43/01/22/522430122.db2.gz MKIWYCBVUFSGNH-CQSZACIVSA-N 0 3 293.323 1.136 10 5 CDBEHN COCCN(C)CCNc1c(F)c(F)ccc1[N+](=O)[O-] ZINC000061379455 523614525 /nfs/dbraw/zinc/61/45/25/523614525.db2.gz IHDMLHMXHPKFJR-UHFFFAOYSA-N 0 3 289.282 1.863 10 5 CDBEHN COCCNCc1ccc(OCCOC)c([N+](=O)[O-])c1 ZINC000062730704 523953461 /nfs/dbraw/zinc/95/34/61/523953461.db2.gz HTIUBLLRKXOXMR-UHFFFAOYSA-N 0 3 284.312 1.356 10 5 CDBEHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050815294 524390031 /nfs/dbraw/zinc/39/00/31/524390031.db2.gz FAIDLXVCSOGION-ONGXEEELSA-N 0 3 292.339 1.263 10 5 CDBEHN Cc1ccc(OCC[C@H](NC2CC2)C(N)=O)c([N+](=O)[O-])c1 ZINC000062541827 525427686 /nfs/dbraw/zinc/42/76/86/525427686.db2.gz UKIBLXADHJEIHI-NSHDSACASA-N 0 3 293.323 1.278 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNCC1(O)CCOCC1 ZINC000183473354 525566747 /nfs/dbraw/zinc/56/67/47/525566747.db2.gz SVSVCDSIBSZEBE-UHFFFAOYSA-N 0 3 280.324 1.534 10 5 CDBEHN Cc1c(O[C@@H](C)C[C@](C)(N)C(N)=O)cccc1[N+](=O)[O-] ZINC000068651260 525883725 /nfs/dbraw/zinc/88/37/25/525883725.db2.gz RPFDPIMMWFKUMU-SDBXPKJASA-N 0 3 281.312 1.263 10 5 CDBEHN NCc1ccc([N+](=O)[O-])c(O[C@H]2CCC[C@@H]2O)c1 ZINC000050516318 527259616 /nfs/dbraw/zinc/25/96/16/527259616.db2.gz NSDCBJOVMWJVEH-QWRGUYRKSA-N 0 3 252.270 1.346 10 5 CDBEHN N[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1 ZINC000062837848 527333343 /nfs/dbraw/zinc/33/33/43/527333343.db2.gz URNGYNLDLVHCOU-NSHDSACASA-N 0 3 274.280 1.353 10 5 CDBEHN Cc1nccn1CCOc1ccc(CN)cc1[N+](=O)[O-] ZINC000049329375 527433516 /nfs/dbraw/zinc/43/35/16/527433516.db2.gz QVVDALYWQRFUBP-UHFFFAOYSA-N 0 3 276.296 1.637 10 5 CDBEHN CC1(C)[C@@H](O)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000310907638 535029542 /nfs/dbraw/zinc/02/95/42/535029542.db2.gz BYSLWGUDAYIJMS-LBPRGKRZSA-N 0 3 250.298 1.940 10 5 CDBEHN CC(COC(=O)Cc1ccc(F)cc1F)[N+](=O)[O-] ZINC000813103652 617342735 /nfs/dbraw/zinc/34/27/35/617342735.db2.gz DGTQJIQDWQPOEL-ZETCQYMHSA-N 0 3 259.208 1.716 10 5 CDBEHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928434645 619075663 /nfs/dbraw/zinc/07/56/63/619075663.db2.gz WSPCWKLNYBOBTO-MWLCHTKSSA-N 0 3 295.314 1.865 10 5 CDBEHN C[C@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000928455027 619119378 /nfs/dbraw/zinc/11/93/78/619119378.db2.gz OQUDMRRDYRRILL-GWCFXTLKSA-N 0 3 277.324 1.346 10 5 CDBEHN CC(COC(=O)[C@H]1CCCc2nn(C)cc21)[N+](=O)[O-] ZINC000813105444 1163812959 /nfs/dbraw/zinc/81/29/59/1163812959.db2.gz MJCYNAKXXNPKCD-BDAKNGLRSA-N 0 3 267.285 1.048 10 5 CDBEHN CC(COC(=O)CCc1nc(C(C)(C)C)no1)[N+](=O)[O-] ZINC000813111069 1163816468 /nfs/dbraw/zinc/81/64/68/1163816468.db2.gz BVNPNFZTSYTALH-QMMMGPOBSA-N 0 3 285.300 1.508 10 5 CDBEHN Cc1cncc(/C=C\C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112191 818882361 /nfs/dbraw/zinc/88/23/61/818882361.db2.gz NKUSHPVZVJKMNR-XOULXFPDSA-N 0 3 250.254 1.612 10 5 CDBEHN CN1CC[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311025169 819084850 /nfs/dbraw/zinc/08/48/50/819084850.db2.gz CZXGLIXVIIYFCE-JTQLQIEISA-N 0 3 253.277 1.528 10 5 CDBEHN NC(=O)CC1CC(NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000718502337 819139238 /nfs/dbraw/zinc/13/92/38/819139238.db2.gz LQAFTWSEKJSUKK-UHFFFAOYSA-N 0 3 297.742 1.992 10 5 CDBEHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(F)c1 ZINC000813106549 819243760 /nfs/dbraw/zinc/24/37/60/819243760.db2.gz DIEYZTAEOJBRJH-SSDOTTSWSA-N 0 3 257.217 1.656 10 5 CDBEHN CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000855362695 819403013 /nfs/dbraw/zinc/40/30/13/819403013.db2.gz UACYPIGZJVNEAB-LLVKDONJSA-N 0 3 271.361 1.375 10 5 CDBEHN Cc1cncc(CCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000797279137 819773098 /nfs/dbraw/zinc/77/30/98/819773098.db2.gz JKRADKZNDFNFRS-JTQLQIEISA-N 0 3 252.270 1.531 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3F)[C@@H]2C1 ZINC000854600548 820821523 /nfs/dbraw/zinc/82/15/23/820821523.db2.gz YATHIUUYJKZPGA-NOZJJQNGSA-N 0 3 293.298 1.510 10 5 CDBEHN CC(COC(=O)C[C@H]1CSCCS1)[N+](=O)[O-] ZINC000813112627 820841967 /nfs/dbraw/zinc/84/19/67/820841967.db2.gz RUKMDMWIIFUUIH-YUMQZZPRSA-N 0 3 265.356 1.434 10 5 CDBEHN CC(COC(=O)c1cccn(C(C)(C)C)c1=O)[N+](=O)[O-] ZINC000870378422 821415462 /nfs/dbraw/zinc/41/54/62/821415462.db2.gz WSBGLPVDSKMOJT-SECBINFHSA-N 0 3 282.296 1.425 10 5 CDBEHN COC(=O)C12CCC(C(=O)OCC(C)[N+](=O)[O-])(CC1)CC2 ZINC000816091861 821879980 /nfs/dbraw/zinc/87/99/80/821879980.db2.gz LMGJQQLXTLWISP-FNBIGBAISA-N 0 3 299.323 1.708 10 5 CDBEHN CC(COC(=O)c1occ2c1CCOC2)[N+](=O)[O-] ZINC000813114503 822425925 /nfs/dbraw/zinc/42/59/25/822425925.db2.gz RVHPKYRXPRYURU-ZETCQYMHSA-N 0 3 255.226 1.174 10 5 CDBEHN COCCOc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813109934 822505676 /nfs/dbraw/zinc/50/56/76/822505676.db2.gz XPNQCCGHOWLIMK-SNVBAGLBSA-N 0 3 283.280 1.534 10 5 CDBEHN CCOc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813110674 822525223 /nfs/dbraw/zinc/52/52/23/822525223.db2.gz HJCSJLRNXJFLLO-SECBINFHSA-N 0 3 253.254 1.907 10 5 CDBEHN COCC(=O)N(C)CCCNCc1ccccc1[N+](=O)[O-] ZINC001483448275 911132481 /nfs/dbraw/zinc/13/24/81/911132481.db2.gz UREUJCHQEGKSEV-UHFFFAOYSA-N 0 3 295.339 1.179 10 5 CDBEHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](C)N2CCCC2)n1 ZINC001182338587 917792427 /nfs/dbraw/zinc/79/24/27/917792427.db2.gz IPHIMOHNYQPJGO-LLVKDONJSA-N 0 3 292.339 1.512 10 5 CDBEHN COC(C)(C)[C@@H](C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000815586033 930057335 /nfs/dbraw/zinc/05/73/35/930057335.db2.gz XZHXHSAUIJQKKU-SNVBAGLBSA-N 0 3 295.339 1.936 10 5 CDBEHN C[C@H](NC[C@H](O)C1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000930208483 933333759 /nfs/dbraw/zinc/33/37/59/933333759.db2.gz QTFXWDDEPBDJON-GWCFXTLKSA-N 0 3 280.324 1.521 10 5 CDBEHN CC(C)[C@H](NCc1cccnc1[N+](=O)[O-])C(C)(C)O ZINC001654397907 1171609210 /nfs/dbraw/zinc/60/92/10/1171609210.db2.gz GLPLQXIWHVPURF-NSHDSACASA-N 0 3 267.329 1.875 10 5 CDBEHN CN1CCC[C@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401158198 342479232 /nfs/dbraw/zinc/47/92/32/342479232.db2.gz JMLNYSOBLJWKJW-SECBINFHSA-N 0 3 268.292 1.883 10 5 CDBEHN NC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000401711618 342623505 /nfs/dbraw/zinc/62/35/05/342623505.db2.gz VZVQEHPZNYJQJH-QMMMGPOBSA-N 0 3 277.202 1.214 10 5 CDBEHN Cc1cc(NC(=O)N2CC[C@@H](F)[C@H](N)C2)ccc1[N+](=O)[O-] ZINC000595230955 343009818 /nfs/dbraw/zinc/00/98/18/343009818.db2.gz JSPDSTSZFAVAIP-GHMZBOCLSA-N 0 3 296.302 1.806 10 5 CDBEHN Cc1cccc([N+](=O)[O-])c1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405218303 349781202 /nfs/dbraw/zinc/78/12/02/349781202.db2.gz LHERHSMFLMCNAL-NWDGAFQWSA-N 0 3 277.324 1.158 10 5 CDBEHN CCOc1ccc([N+](=O)[O-])cc1CN(C)CC1CN(C)C1 ZINC000597203845 343473280 /nfs/dbraw/zinc/47/32/80/343473280.db2.gz YHPLLIXBPJASSD-UHFFFAOYSA-N 0 3 293.367 1.987 10 5 CDBEHN C[C@@H](C(=O)NC[C@@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000515401159 362310995 /nfs/dbraw/zinc/31/09/95/362310995.db2.gz MTTUSKHDRHQTPB-RISCZKNCSA-N 0 3 291.351 1.909 10 5 CDBEHN O=[N+]([O-])c1cnc2c(c1)CN(C[C@@H]1CCCOC1)CC2 ZINC000542545493 362458460 /nfs/dbraw/zinc/45/84/60/362458460.db2.gz QTQDMXYBQKQZBI-NSHDSACASA-N 0 3 277.324 1.775 10 5 CDBEHN C[C@H]1CN(C2CC2)C[C@H]1Nc1cccnc1[N+](=O)[O-] ZINC000610709954 346367749 /nfs/dbraw/zinc/36/77/49/346367749.db2.gz QAULDDGHTILXSJ-JOYOIKCWSA-N 0 3 262.313 1.884 10 5 CDBEHN CC(C)(C)[C@@H](O)C[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000283798894 357603319 /nfs/dbraw/zinc/60/33/19/357603319.db2.gz AEXZGHMSTKFHPK-JSGCOSHPSA-N 0 3 296.367 1.842 10 5 CDBEHN CC1(C)[C@@H](O)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000361401431 358174450 /nfs/dbraw/zinc/17/44/50/358174450.db2.gz BDBMMONSPVVNJW-ZDUSSCGKSA-N 0 3 280.324 1.819 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](CO)[C@H]1CCCOC1 ZINC000414561146 241257988 /nfs/dbraw/zinc/25/79/88/241257988.db2.gz RUPIHIWEOXYYBH-ZFWWWQNUSA-N 0 3 294.351 1.780 10 5 CDBEHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CCCCN1CCO ZINC000449390296 374806469 /nfs/dbraw/zinc/80/64/69/374806469.db2.gz GETOCAARHDALMO-AWEZNQCLSA-N 0 3 293.367 1.531 10 5 CDBEHN CC(C)[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000432780015 390490678 /nfs/dbraw/zinc/49/06/78/390490678.db2.gz JJRYJUHXFLBRFZ-DGCLKSJQSA-N 0 3 294.355 1.493 10 5 CDBEHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1(CO)CC1 ZINC000190011269 130050291 /nfs/dbraw/zinc/05/02/91/130050291.db2.gz FUYUHMSNIOSGLJ-ZDUSSCGKSA-N 0 3 280.324 1.333 10 5 CDBEHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)N(C)C1CC1 ZINC000532143621 393067001 /nfs/dbraw/zinc/06/70/01/393067001.db2.gz PPEFZDWBTQTHPC-SECBINFHSA-N 0 3 278.312 1.202 10 5 CDBEHN Cc1cc([N+](=O)[O-])cn(CCN2CCCCC2)c1=O ZINC000096778470 147117628 /nfs/dbraw/zinc/11/76/28/147117628.db2.gz OLAVLAKFDNXPQG-UHFFFAOYSA-N 0 3 265.313 1.551 10 5 CDBEHN CO[C@@H]1CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000040632955 174359613 /nfs/dbraw/zinc/35/96/13/174359613.db2.gz GPNGSHVTMJDVRT-GZMMTYOYSA-N 0 3 299.714 1.564 10 5 CDBEHN CCc1ccc(NC(=O)[C@@H]2C[C@@H](OC)CN2)cc1[N+](=O)[O-] ZINC000040633664 174360024 /nfs/dbraw/zinc/36/00/24/174360024.db2.gz NHHKYHUCBFMZQM-NEPJUHHUSA-N 0 3 293.323 1.473 10 5 CDBEHN N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000070987161 176018378 /nfs/dbraw/zinc/01/83/78/176018378.db2.gz GAJXHRVWKDEYAF-PRHODGIISA-N 0 3 265.269 1.341 10 5 CDBEHN O=C1[C@@H](NC2CC2)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000071034354 176024218 /nfs/dbraw/zinc/02/42/18/176024218.db2.gz AHUYSVBHIQDPOJ-LBPRGKRZSA-N 0 3 275.308 1.448 10 5 CDBEHN CC(C)N[C@H]1CCN(c2ccc(F)c([N+](=O)[O-])c2)C1=O ZINC000071039934 176027172 /nfs/dbraw/zinc/02/71/72/176027172.db2.gz UZGUJVPCRKJQSH-NSHDSACASA-N 0 3 281.287 1.837 10 5 CDBEHN O=C1[C@@H](NC2CC2)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000071038935 176027197 /nfs/dbraw/zinc/02/71/97/176027197.db2.gz XPVXXHPXHDYXCW-LBPRGKRZSA-N 0 3 261.281 1.452 10 5 CDBEHN CCNCc1ccc(O[C@@H]2CCN(C)C2=O)c([N+](=O)[O-])c1 ZINC000071182830 176058209 /nfs/dbraw/zinc/05/82/09/176058209.db2.gz MJMCANAELIFODU-CYBMUJFWSA-N 0 3 293.323 1.314 10 5 CDBEHN CNc1ccc(C(=O)NC[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000221247875 261370582 /nfs/dbraw/zinc/37/05/82/261370582.db2.gz MJXIHDKPURHCKD-NSHDSACASA-N 0 3 292.339 1.461 10 5 CDBEHN CCN1CC[C@@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)[C@@H](C)C1 ZINC000266231417 270313505 /nfs/dbraw/zinc/31/35/05/270313505.db2.gz JSHAVPIAZUBGQL-VHSXEESVSA-N 0 3 294.359 1.134 10 5 CDBEHN COC[C@](C)(O)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514873894 280854539 /nfs/dbraw/zinc/85/45/39/280854539.db2.gz ZYDIIVUIRNODHO-DZGCQCFKSA-N 0 3 294.351 1.959 10 5 CDBEHN C[C@@H](Cn1cncn1)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579004123 324081018 /nfs/dbraw/zinc/08/10/18/324081018.db2.gz FENUAMQYDDPEBQ-GXFFZTMASA-N 0 3 287.323 1.852 10 5 CDBEHN CC(C)n1cc([N+](=O)[O-])cc1C(=O)N1[C@H](C)CNC[C@H]1C ZINC000069132895 519983011 /nfs/dbraw/zinc/98/30/11/519983011.db2.gz XSCXQSLHSFSTQN-GHMZBOCLSA-N 0 3 294.355 1.800 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(OCC(=O)OC)c1 ZINC000050516985 520002154 /nfs/dbraw/zinc/00/21/54/520002154.db2.gz ZNKQEZIRJQDYFF-UHFFFAOYSA-N 0 3 268.269 1.256 10 5 CDBEHN CCN[C@@](COc1cccc([N+](=O)[O-])c1)(C(N)=O)C1CC1 ZINC000069194123 520159228 /nfs/dbraw/zinc/15/92/28/520159228.db2.gz JTHYBEMPKDSVBP-CQSZACIVSA-N 0 3 293.323 1.217 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(O[C@@H]2CCOC2=O)c1 ZINC000050516774 522125300 /nfs/dbraw/zinc/12/53/00/522125300.db2.gz HULWHGILLBTZHX-SNVBAGLBSA-N 0 3 266.253 1.009 10 5 CDBEHN CC[C@@H](C)NC(=O)COc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516556 522169000 /nfs/dbraw/zinc/16/90/00/522169000.db2.gz WAIPIOZPHAXYSE-SECBINFHSA-N 0 3 281.312 1.347 10 5 CDBEHN CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000054416279 523961176 /nfs/dbraw/zinc/96/11/76/523961176.db2.gz JIBVSKUKMJKETQ-VIFPVBQESA-N 0 3 281.287 1.415 10 5 CDBEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000069132975 525096785 /nfs/dbraw/zinc/09/67/85/525096785.db2.gz ZQVHYVHOWLHUAU-HTQZYQBOSA-N 0 3 269.326 1.479 10 5 CDBEHN CCN1CC[C@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000389183871 617228070 /nfs/dbraw/zinc/22/80/70/617228070.db2.gz RHZPKFMVQZURRD-QMMMGPOBSA-N 0 3 281.341 1.810 10 5 CDBEHN COCCOc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112015 617346561 /nfs/dbraw/zinc/34/65/61/617346561.db2.gz YKWXTNRGQXBBLT-JTQLQIEISA-N 0 3 283.280 1.534 10 5 CDBEHN C[C@@H]1[C@H](NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CCN1C ZINC000931607625 618074450 /nfs/dbraw/zinc/07/44/50/618074450.db2.gz LHMNDAROPRIMPG-LDYMZIIASA-N 0 3 296.302 1.948 10 5 CDBEHN COc1cccc(C(=O)N[C@@H]2CCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000928441366 619086348 /nfs/dbraw/zinc/08/63/48/619086348.db2.gz NZMJIKVBACSYAU-GXSJLCMTSA-N 0 3 293.323 1.426 10 5 CDBEHN Cc1cc(F)cc(C(=O)N[C@@H]2CCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000928443747 619089961 /nfs/dbraw/zinc/08/99/61/619089961.db2.gz VLVPPBOHYYYOGA-JOYOIKCWSA-N 0 3 295.314 1.865 10 5 CDBEHN CC[C@H](CNCc1ccc(OC)c([N+](=O)[O-])c1)C(=O)OC ZINC000895120041 619313728 /nfs/dbraw/zinc/31/37/28/619313728.db2.gz KSEYSPPORPQKNB-LLVKDONJSA-N 0 3 296.323 1.892 10 5 CDBEHN CC(COC(=O)CO[C@@H]1CCC[C@@H](C)C1)[N+](=O)[O-] ZINC000813106358 1163814051 /nfs/dbraw/zinc/81/40/51/1163814051.db2.gz BLSYWRAOUHABSN-OUAUKWLOSA-N 0 3 259.302 1.790 10 5 CDBEHN CC(C)n1cnnc1SCC(=O)OCC(C)[N+](=O)[O-] ZINC000813110971 822666634 /nfs/dbraw/zinc/66/66/34/822666634.db2.gz NGGGERVDTBHJJQ-QMMMGPOBSA-N 0 3 288.329 1.160 10 5 CDBEHN CO[C@@H](C)c1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813102942 823895220 /nfs/dbraw/zinc/89/52/20/823895220.db2.gz WOXMLJUDKLEAGS-XPUUQOCRSA-N 0 3 288.325 1.981 10 5 CDBEHN CC(COC(=O)c1cncc(Br)c1)[N+](=O)[O-] ZINC000813112327 828597917 /nfs/dbraw/zinc/59/79/17/828597917.db2.gz FIBRYMZSFVCQKD-ZCFIWIBFSA-N 0 3 289.085 1.666 10 5 CDBEHN CC(COC(=O)[C@@H](C)Oc1ccc(F)c(F)c1)[N+](=O)[O-] ZINC000813109080 824634572 /nfs/dbraw/zinc/63/45/72/824634572.db2.gz OEBNHXYIZGRYNV-HTQZYQBOSA-N 0 3 289.234 1.941 10 5 CDBEHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])sc2nccn12 ZINC000813102531 824781628 /nfs/dbraw/zinc/78/16/28/824781628.db2.gz HSONROOUSLPCFX-LURJTMIESA-N 0 3 269.282 1.526 10 5 CDBEHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(OC)c1C ZINC000813105535 825825917 /nfs/dbraw/zinc/82/59/17/825825917.db2.gz ODZFGESZVVWSQK-MRVPVSSYSA-N 0 3 283.280 1.834 10 5 CDBEHN COc1cccc(CCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813109611 826201691 /nfs/dbraw/zinc/20/16/91/826201691.db2.gz NDPUAHLHHDAVDC-SNVBAGLBSA-N 0 3 267.281 1.836 10 5 CDBEHN CC(=O)[C@](C)(O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177591 826667864 /nfs/dbraw/zinc/66/78/64/826667864.db2.gz COLBNGXEUIKEJX-NOZJJQNGSA-N 0 3 266.297 1.585 10 5 CDBEHN O=[N+]([O-])c1cccc2c1CCN(CCc1c[nH]nn1)C2 ZINC000851869374 827029309 /nfs/dbraw/zinc/02/93/09/827029309.db2.gz FWBHMRNYYKCQEK-UHFFFAOYSA-N 0 3 273.296 1.314 10 5 CDBEHN Cn1c(C(=O)N2CCN(C)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000871151842 827635488 /nfs/dbraw/zinc/63/54/88/827635488.db2.gz CLFWQXIKIVQUIJ-UHFFFAOYSA-N 0 3 294.355 1.490 10 5 CDBEHN Cc1ccc(OCC(=O)OCC(C)[N+](=O)[O-])cc1C ZINC000813113238 827753022 /nfs/dbraw/zinc/75/30/22/827753022.db2.gz XWPVGMBUOMICLI-LLVKDONJSA-N 0 3 267.281 1.891 10 5 CDBEHN CCn1nc(C)c(CC(=O)OCC(C)[N+](=O)[O-])c1C ZINC000797280190 828040413 /nfs/dbraw/zinc/04/04/13/828040413.db2.gz MUMJUTHQYNRHAL-MRVPVSSYSA-N 0 3 269.301 1.271 10 5 CDBEHN CC(C)c1ccc(CNC[C@H](O)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000865740298 828046438 /nfs/dbraw/zinc/04/64/38/828046438.db2.gz GCAFATISWWUKCM-YGRLFVJLSA-N 0 3 282.340 1.550 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)C1CC1 ZINC000071305257 917436395 /nfs/dbraw/zinc/43/63/95/917436395.db2.gz WNBALTQWFMVECV-GFCCVEGCSA-N 0 3 266.297 1.464 10 5 CDBEHN Cc1c(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590043749 342520500 /nfs/dbraw/zinc/52/05/00/342520500.db2.gz FPTPTXAGTKSCCD-SMDDNHRTSA-N 0 3 289.335 1.679 10 5 CDBEHN COCCN1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC000117631237 342049223 /nfs/dbraw/zinc/04/92/23/342049223.db2.gz WFQMKMRZNCXHSM-UHFFFAOYSA-N 0 3 250.298 1.642 10 5 CDBEHN CO[C@](C)(CO)CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000594514678 342913066 /nfs/dbraw/zinc/91/30/66/342913066.db2.gz ZDMFYZJQORSBHZ-RISCZKNCSA-N 0 3 282.340 1.951 10 5 CDBEHN NC1(CN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCCC1 ZINC000594694455 342943273 /nfs/dbraw/zinc/94/32/73/342943273.db2.gz RNJLMWLTLCLLRV-UHFFFAOYSA-N 0 3 275.312 1.576 10 5 CDBEHN Cc1noc(CNC(C)(C)CN2CCCC2)c1[N+](=O)[O-] ZINC000595523189 343088904 /nfs/dbraw/zinc/08/89/04/343088904.db2.gz PLSQQPQPMOZECG-UHFFFAOYSA-N 0 3 282.344 1.855 10 5 CDBEHN O=[N+]([O-])c1cccc(OCCN[C@@H]2C[C@@H](O)C23CCC3)c1 ZINC000595776636 343148952 /nfs/dbraw/zinc/14/89/52/343148952.db2.gz BLMQYLKYSNUEPB-ZIAGYGMSSA-N 0 3 292.335 1.867 10 5 CDBEHN CN(CC1CN(C)C1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000596453699 343324555 /nfs/dbraw/zinc/32/45/55/343324555.db2.gz LZAXTURCMNQWIS-UHFFFAOYSA-N 0 3 287.323 1.536 10 5 CDBEHN Cc1ccc(CN[C@@H]2CCOC[C@@H]2O)cc1[N+](=O)[O-] ZINC000599012691 343940108 /nfs/dbraw/zinc/94/01/08/343940108.db2.gz UWFTZEHVHQITGP-YPMHNXCESA-N 0 3 266.297 1.143 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368371991 362293535 /nfs/dbraw/zinc/29/35/35/362293535.db2.gz YQDLIRGNVPFVJN-UWVGGRQHSA-N 0 3 281.287 1.333 10 5 CDBEHN Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCN1C1CCCC1 ZINC000599165809 343973039 /nfs/dbraw/zinc/97/30/39/343973039.db2.gz TYSLTAGCNYDSQX-NSHDSACASA-N 0 3 279.344 1.757 10 5 CDBEHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)C(O)[C@H](C)C1 ZINC000602889016 344636332 /nfs/dbraw/zinc/63/63/32/344636332.db2.gz PVPZXCZHLJVTIZ-NXEZZACHSA-N 0 3 282.344 1.048 10 5 CDBEHN CCN[C@H](CCO)C[S@@](=O)c1ccc([N+](=O)[O-])cc1 ZINC000085928047 179202997 /nfs/dbraw/zinc/20/29/97/179202997.db2.gz NITINBTZNCSZKN-DGIBIBHMSA-N 0 3 286.353 1.063 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC1(CO)CCOCC1 ZINC000273383040 192134201 /nfs/dbraw/zinc/13/42/01/192134201.db2.gz HYMVKAHISIXHLU-UHFFFAOYSA-N 0 3 280.324 1.534 10 5 CDBEHN CN(C)C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000105924686 186091666 /nfs/dbraw/zinc/09/16/66/186091666.db2.gz VKCBKBRWHFVDTN-CQSZACIVSA-N 0 3 279.340 1.357 10 5 CDBEHN O=[N+]([O-])c1cccc(CNC[C@H]2CN(C3CC3)CCO2)c1 ZINC000106379906 186112193 /nfs/dbraw/zinc/11/21/93/186112193.db2.gz FXZWTPYAEJIGDY-HNNXBMFYSA-N 0 3 291.351 1.548 10 5 CDBEHN COC(=O)c1ccc([N+](=O)[O-])c(NCCN(C)C2CC2)c1 ZINC000136299678 362966065 /nfs/dbraw/zinc/96/60/65/362966065.db2.gz HLNOEDHOFYTJFB-UHFFFAOYSA-N 0 3 293.323 1.888 10 5 CDBEHN CCN1CC[C@H](N(C)c2ncc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000273636364 192241327 /nfs/dbraw/zinc/24/13/27/192241327.db2.gz RFMKDAAOHNSZIW-JQWIXIFHSA-N 0 3 279.344 1.551 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)[C@@H](C)CO ZINC000450741360 358997883 /nfs/dbraw/zinc/99/78/83/358997883.db2.gz YQXRNNCBEIXYHU-UWVGGRQHSA-N 0 3 268.313 1.710 10 5 CDBEHN Cc1c(OC[C@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000080745194 359002481 /nfs/dbraw/zinc/00/24/81/359002481.db2.gz QVHZMGKRIYXQML-SNVBAGLBSA-N 0 3 252.270 1.270 10 5 CDBEHN O=[N+]([O-])c1cc(CN2CCNC[C@@H]2C(F)F)cs1 ZINC000571047663 294358502 /nfs/dbraw/zinc/35/85/02/294358502.db2.gz ZJGUHFNOVOEDHG-MRVPVSSYSA-N 0 3 277.296 1.695 10 5 CDBEHN CN(C[C@@H]1CCCN1C)c1ccncc1[N+](=O)[O-] ZINC000420644526 244309544 /nfs/dbraw/zinc/30/95/44/244309544.db2.gz ZDPYJGIFSRWIQE-JTQLQIEISA-N 0 3 250.302 1.520 10 5 CDBEHN CN(C)[C@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000170863703 369979797 /nfs/dbraw/zinc/97/97/97/369979797.db2.gz QCAIJLUHAJTYPR-GPAKFWEMSA-N 0 3 289.335 1.771 10 5 CDBEHN O=[N+]([O-])c1ccc(OC[C@H]2CNCCO2)c(Cl)c1 ZINC000080745184 374478946 /nfs/dbraw/zinc/47/89/46/374478946.db2.gz NIKJOYAELGVPBI-SECBINFHSA-N 0 3 272.688 1.615 10 5 CDBEHN CN1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531628943 374504823 /nfs/dbraw/zinc/50/48/23/374504823.db2.gz FAAYAHNKMYOBKU-SNVBAGLBSA-N 0 3 278.312 1.061 10 5 CDBEHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@]2(CNC(=O)C2)C1 ZINC000278856090 374862467 /nfs/dbraw/zinc/86/24/67/374862467.db2.gz KRQBQJGPVAQHEN-NHYWBVRUSA-N 0 3 289.335 1.868 10 5 CDBEHN CCN1CCC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000194633136 378448146 /nfs/dbraw/zinc/44/81/46/378448146.db2.gz OXTJHVLFPVVTCL-ZDUSSCGKSA-N 0 3 291.351 1.738 10 5 CDBEHN O=[N+]([O-])c1cc(Cl)ccc1OC[C@H]1CNCCO1 ZINC000080745192 177698732 /nfs/dbraw/zinc/69/87/32/177698732.db2.gz GPTYIRXYEJEOOP-SECBINFHSA-N 0 3 272.688 1.615 10 5 CDBEHN O=[N+]([O-])c1cc(CN[C@H]2CNCCC2(F)F)cs1 ZINC000415007148 391240143 /nfs/dbraw/zinc/24/01/43/391240143.db2.gz UPSVLBCKBVUCFV-QMMMGPOBSA-N 0 3 277.296 1.743 10 5 CDBEHN CN(CCc1ccccc1[N+](=O)[O-])CC1(O)CCC1 ZINC000352550755 155264173 /nfs/dbraw/zinc/26/41/73/155264173.db2.gz QIYGHPVMPBOARN-UHFFFAOYSA-N 0 3 264.325 1.984 10 5 CDBEHN O=[N+]([O-])c1cccc(OCCN2C[C@@H](O)C3(CC3)C2)c1 ZINC000372293846 160101899 /nfs/dbraw/zinc/10/18/99/160101899.db2.gz GUOGQMOZRLRFNY-CYBMUJFWSA-N 0 3 278.308 1.430 10 5 CDBEHN CC(C)(C)[C@@H](O)C[C@@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000284201554 196002854 /nfs/dbraw/zinc/00/28/54/196002854.db2.gz YYHCNJSDLJUVTE-JSGCOSHPSA-N 0 3 296.367 1.842 10 5 CDBEHN Cc1ccc(NC(=O)[C@H]2CCCCN2)c([N+](=O)[O-])c1 ZINC000037029666 172895620 /nfs/dbraw/zinc/89/56/20/172895620.db2.gz GSVWAJJGNSEUHT-LLVKDONJSA-N 0 3 263.297 1.984 10 5 CDBEHN CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000040632959 174359533 /nfs/dbraw/zinc/35/95/33/174359533.db2.gz WSURDUISUBWLRA-WCBMZHEXSA-N 0 3 299.714 1.564 10 5 CDBEHN CCN1CCC[C@H]1CNc1cc([N+](=O)[O-])ccn1 ZINC000043567686 175067441 /nfs/dbraw/zinc/06/74/41/175067441.db2.gz FSVBHWBQEWSYKU-NSHDSACASA-N 0 3 250.302 1.886 10 5 CDBEHN O=C1[C@H](NC2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000071038873 176027233 /nfs/dbraw/zinc/02/72/33/176027233.db2.gz HOJVOIHORZPBLR-GFCCVEGCSA-N 0 3 261.281 1.452 10 5 CDBEHN N[C@@H](CO)c1ccc(Br)cc1[N+](=O)[O-] ZINC000072199311 176340299 /nfs/dbraw/zinc/34/02/99/176340299.db2.gz RQUUVCHSUBGMJO-ZETCQYMHSA-N 0 3 261.075 1.349 10 5 CDBEHN C[C@@H]1CN(C)[C@@H](C)CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000408453179 274339230 /nfs/dbraw/zinc/33/92/30/274339230.db2.gz RBYGRIZGIGVEOB-VHSXEESVSA-N 0 3 289.339 2.000 10 5 CDBEHN CS[C@H]1CN(c2ccncc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000340754284 278168252 /nfs/dbraw/zinc/16/82/52/278168252.db2.gz OJQAICCYYTTZPR-RYUDHWBXSA-N 0 3 282.369 1.472 10 5 CDBEHN CN1CCC[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000194738115 280052489 /nfs/dbraw/zinc/05/24/89/280052489.db2.gz JVNMEVYMISSKLP-NSHDSACASA-N 0 3 293.323 1.184 10 5 CDBEHN CN[C@H](CCOc1ccc([N+](=O)[O-])cc1Cl)C(N)=O ZINC000062539720 522461996 /nfs/dbraw/zinc/46/19/96/522461996.db2.gz ZCFRIJMFNIRKCP-SECBINFHSA-N 0 3 287.703 1.090 10 5 CDBEHN CCNCc1ccc([N+](=O)[O-])c(OCCOCCO)c1 ZINC000050516955 520001644 /nfs/dbraw/zinc/00/16/44/520001644.db2.gz DHLITLUFNNBOAC-UHFFFAOYSA-N 0 3 284.312 1.092 10 5 CDBEHN CNCc1cc([N+](=O)[O-])ccc1OCc1ncccn1 ZINC000054458455 522114071 /nfs/dbraw/zinc/11/40/71/522114071.db2.gz ZGVGNHLRHMPTRU-UHFFFAOYSA-N 0 3 274.280 1.683 10 5 CDBEHN COCCN(Cc1ccc(N)c([N+](=O)[O-])c1)[C@@H](C)COC ZINC000050816920 523750547 /nfs/dbraw/zinc/75/05/47/523750547.db2.gz GDPJNVKINCQLAP-NSHDSACASA-N 0 3 297.355 1.660 10 5 CDBEHN CN1CCC(Oc2ncnc(Cl)c2[N+](=O)[O-])CC1 ZINC000050454649 523783326 /nfs/dbraw/zinc/78/33/26/523783326.db2.gz QHTGVUWGVPFDKB-UHFFFAOYSA-N 0 3 272.692 1.511 10 5 CDBEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000069132878 525100578 /nfs/dbraw/zinc/10/05/78/525100578.db2.gz ZFWCEFUAEKQQIU-AOOOYVTPSA-N 0 3 263.297 1.417 10 5 CDBEHN Cc1ccc(NC(=O)c2ccnc(NN)c2)cc1[N+](=O)[O-] ZINC000051092455 525248443 /nfs/dbraw/zinc/24/84/43/525248443.db2.gz KWABERMPNPJGMY-UHFFFAOYSA-N 0 3 287.279 1.836 10 5 CDBEHN Cc1ccc(NC(=O)c2cc[nH]c(=NN)c2)cc1[N+](=O)[O-] ZINC000051092455 525248446 /nfs/dbraw/zinc/24/84/46/525248446.db2.gz KWABERMPNPJGMY-UHFFFAOYSA-N 0 3 287.279 1.836 10 5 CDBEHN NCc1ccc([N+](=O)[O-])c(OCc2ncon2)c1 ZINC000050516195 527259430 /nfs/dbraw/zinc/25/94/30/527259430.db2.gz CHASYJUCWCGZAG-UHFFFAOYSA-N 0 3 250.214 1.016 10 5 CDBEHN CCn1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])c1Cl ZINC000813108090 617345183 /nfs/dbraw/zinc/34/51/83/617345183.db2.gz AFOPQGGMUJIVMQ-LURJTMIESA-N 0 3 275.692 1.687 10 5 CDBEHN COc1cccc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000928441368 619086248 /nfs/dbraw/zinc/08/62/48/619086248.db2.gz NZMJIKVBACSYAU-MWLCHTKSSA-N 0 3 293.323 1.426 10 5 CDBEHN CC(COC(=O)c1cn(C)nc1C(F)(F)F)[N+](=O)[O-] ZINC000813103717 828855727 /nfs/dbraw/zinc/85/57/27/828855727.db2.gz GFTWYJDDHGKUNB-YFKPBYRVSA-N 0 3 281.190 1.261 10 5 CDBEHN COc1ncc(C(=O)OCC(C)[N+](=O)[O-])cc1Cl ZINC000813101509 833401720 /nfs/dbraw/zinc/40/17/20/833401720.db2.gz CCHPKUQLJMPLMY-ZCFIWIBFSA-N 0 3 274.660 1.566 10 5 CDBEHN Cc1ccc(OCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813106683 829449061 /nfs/dbraw/zinc/44/90/61/829449061.db2.gz FYQCBVWHTAWLAF-JTQLQIEISA-N 0 3 253.254 1.582 10 5 CDBEHN CC(COC(=O)c1cc(Br)nn1C)[N+](=O)[O-] ZINC000813104534 829858243 /nfs/dbraw/zinc/85/82/43/829858243.db2.gz ODYFOLOECNSVMB-YFKPBYRVSA-N 0 3 292.089 1.005 10 5 CDBEHN CCN(C)[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813104421 830418371 /nfs/dbraw/zinc/41/83/71/830418371.db2.gz CHGIPQGISLOARY-DGCLKSJQSA-N 0 3 280.324 1.888 10 5 CDBEHN CN1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CCC1(C)C ZINC000871154533 830529986 /nfs/dbraw/zinc/52/99/86/830529986.db2.gz GRBHYHCHPRVEFW-UHFFFAOYSA-N 0 3 292.339 1.546 10 5 CDBEHN COc1ccc(OC)c(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112995 832089783 /nfs/dbraw/zinc/08/97/83/832089783.db2.gz NKBLWUAOIXMHHA-VIFPVBQESA-N 0 3 283.280 1.455 10 5 CDBEHN CO[C@@](C)(C(=O)OCC(C)[N+](=O)[O-])c1ccccc1F ZINC000813113352 833875078 /nfs/dbraw/zinc/87/50/78/833875078.db2.gz ZDWPSOSMAPZQCE-TVQRCGJNSA-N 0 3 285.271 1.896 10 5 CDBEHN COCc1nc(C(=O)OCC(C)[N+](=O)[O-])cs1 ZINC000813104673 834698063 /nfs/dbraw/zinc/69/80/63/834698063.db2.gz PVAKKSKRUSUZNC-LURJTMIESA-N 0 3 260.271 1.112 10 5 CDBEHN CC(COC(=O)[C@@H](C)Sc1ccccn1)[N+](=O)[O-] ZINC000813115632 835749580 /nfs/dbraw/zinc/74/95/80/835749580.db2.gz WTCMXLOQTPGLQB-RKDXNWHRSA-N 0 3 270.310 1.771 10 5 CDBEHN Cn1cc([N+](=O)[O-])c(NC[C@@H]2CCN2C2CCCC2)n1 ZINC001187241917 920422624 /nfs/dbraw/zinc/42/26/24/920422624.db2.gz CINMPAMBCGNZIZ-NSHDSACASA-N 0 3 279.344 1.757 10 5 CDBEHN CCN1C[C@@H](NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])C(C)(C)C1 ZINC001472056043 970555498 /nfs/dbraw/zinc/55/54/98/970555498.db2.gz FQAUZVJTOKWQRO-SECBINFHSA-N 0 3 295.343 1.086 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CCC23CCOCC3)n1 ZINC000618318165 349436199 /nfs/dbraw/zinc/43/61/99/349436199.db2.gz GNSLZGSWUQBJNR-UHFFFAOYSA-N 0 3 266.301 1.046 10 5 CDBEHN CN1C[C@@H]2CCN(Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590012360 342520039 /nfs/dbraw/zinc/52/00/39/342520039.db2.gz RWUJDLOXOMIHDY-GXTWGEPZSA-N 0 3 261.325 1.731 10 5 CDBEHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c1 ZINC000590445635 342546380 /nfs/dbraw/zinc/54/63/80/342546380.db2.gz REZFNDIWYPXTFL-SMDDNHRTSA-N 0 3 289.335 1.679 10 5 CDBEHN NC(=O)[C@H]1C[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000593724335 342828981 /nfs/dbraw/zinc/82/89/81/342828981.db2.gz YHJDNVHNBFEYPQ-UHIISALHSA-N 0 3 289.335 1.826 10 5 CDBEHN CO[C@@H](CNCc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000594956008 342983490 /nfs/dbraw/zinc/98/34/90/342983490.db2.gz SQNJBHLCPAYZOA-OCCSQVGLSA-N 0 3 280.324 1.736 10 5 CDBEHN CC12CC(C1)CN2CCn1cc([N+](=O)[O-])ccc1=O ZINC000595918472 343191799 /nfs/dbraw/zinc/19/17/99/343191799.db2.gz DCJSEQJHNVEPTA-UHFFFAOYSA-N 0 3 263.297 1.241 10 5 CDBEHN CCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CCN(C)C1 ZINC000596449696 343323994 /nfs/dbraw/zinc/32/39/94/343323994.db2.gz DEXWFJQGMUZYHB-JTQLQIEISA-N 0 3 280.328 1.100 10 5 CDBEHN CCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CCN(C)C1 ZINC000597945927 343675636 /nfs/dbraw/zinc/67/56/36/343675636.db2.gz KGRKSZZEOQCKAP-JTQLQIEISA-N 0 3 292.339 1.343 10 5 CDBEHN CC[C@@H]1CN(C(=O)c2nn(CC)cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000598531582 343826691 /nfs/dbraw/zinc/82/66/91/343826691.db2.gz LKBHLEFAGOQYTQ-VHSXEESVSA-N 0 3 295.343 1.024 10 5 CDBEHN CN1CCC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000604198939 344865653 /nfs/dbraw/zinc/86/56/53/344865653.db2.gz MJZMCORWJXRBBA-NSHDSACASA-N 0 3 293.323 1.184 10 5 CDBEHN CC[C@@H](NC[C@@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000091667205 180223048 /nfs/dbraw/zinc/22/30/48/180223048.db2.gz MVZAFEJZTQFGBE-HUUCEWRRSA-N 0 3 293.367 1.966 10 5 CDBEHN CN(C)C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000267527332 360960408 /nfs/dbraw/zinc/96/04/08/360960408.db2.gz ONIPVCWASXEVLC-NSHDSACASA-N 0 3 295.314 1.900 10 5 CDBEHN CN(C)C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000267527329 360960558 /nfs/dbraw/zinc/96/05/58/360960558.db2.gz ONIPVCWASXEVLC-LLVKDONJSA-N 0 3 295.314 1.900 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CC[C@]3(C2)CCCOC3)n1 ZINC000367452587 361424399 /nfs/dbraw/zinc/42/43/99/361424399.db2.gz UVBACSRVJXAMFO-ZDUSSCGKSA-N 0 3 280.328 1.294 10 5 CDBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(N)=O)CC1 ZINC000026467430 370582615 /nfs/dbraw/zinc/58/26/15/370582615.db2.gz CVBSUCCZPUADNT-JTQLQIEISA-N 0 3 277.324 1.853 10 5 CDBEHN CO[C@@]1(CNCc2ccc(C)c([N+](=O)[O-])c2)CCOC1 ZINC000122932992 373695998 /nfs/dbraw/zinc/69/59/98/373695998.db2.gz OHDWBVQQYRTWCJ-CQSZACIVSA-N 0 3 280.324 1.798 10 5 CDBEHN CC(C)c1ccc(CNC[C@@](C)(O)CO)cc1[N+](=O)[O-] ZINC000619464231 374044054 /nfs/dbraw/zinc/04/40/54/374044054.db2.gz BPKJXACNLIFIHD-CQSZACIVSA-N 0 3 282.340 1.551 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CCN(C)CC1 ZINC000299597056 375185475 /nfs/dbraw/zinc/18/54/75/375185475.db2.gz GMASOKYWFOTCKE-UHFFFAOYSA-N 0 3 277.324 1.727 10 5 CDBEHN COc1cc(CN(C[C@H](C)O)[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000443325634 250022146 /nfs/dbraw/zinc/02/21/46/250022146.db2.gz HHHKLACDSOUIGG-QWRGUYRKSA-N 0 3 298.339 1.167 10 5 CDBEHN COC[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000452092321 391017918 /nfs/dbraw/zinc/01/79/18/391017918.db2.gz UKWDNJVYDSDMQO-LBPRGKRZSA-N 0 3 282.344 1.540 10 5 CDBEHN CNC(=O)[C@H](NCCOc1cccc([N+](=O)[O-])c1)C(C)C ZINC000183649609 391281811 /nfs/dbraw/zinc/28/18/11/391281811.db2.gz SXZXNFFAHRQOKD-CYBMUJFWSA-N 0 3 295.339 1.334 10 5 CDBEHN C[C@@H]1CC[C@@H](O)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000421022688 392927800 /nfs/dbraw/zinc/92/78/00/392927800.db2.gz QNIAZCLMJNPGCM-DGCLKSJQSA-N 0 3 280.324 1.819 10 5 CDBEHN CCc1ccc(NC(=O)[C@H]2C[C@@H](OC)CN2)cc1[N+](=O)[O-] ZINC000040633665 174360112 /nfs/dbraw/zinc/36/01/12/174360112.db2.gz NHHKYHUCBFMZQM-VXGBXAGGSA-N 0 3 293.323 1.473 10 5 CDBEHN CCCNCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000044288036 175159816 /nfs/dbraw/zinc/15/98/16/175159816.db2.gz UUZZRXZUWWYFLX-UHFFFAOYSA-N 0 3 251.286 1.841 10 5 CDBEHN CCN[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1=O ZINC000071036329 176025346 /nfs/dbraw/zinc/02/53/46/176025346.db2.gz RFBMNLNDDSCASO-LLVKDONJSA-N 0 3 263.297 1.618 10 5 CDBEHN Cc1c(CNC[C@H](O)C2CC2)cccc1[N+](=O)[O-] ZINC000071305428 176115736 /nfs/dbraw/zinc/11/57/36/176115736.db2.gz PQVUXWYWUWQSJO-ZDUSSCGKSA-N 0 3 250.298 1.764 10 5 CDBEHN C[C@@H]1CN2CCC[C@H]2CN1c1ncc([N+](=O)[O-])s1 ZINC000249300489 274375355 /nfs/dbraw/zinc/37/53/55/274375355.db2.gz RYQZOTADHJCTPE-BDAKNGLRSA-N 0 3 268.342 1.724 10 5 CDBEHN COC[C@@](C)(O)CNCc1ccc([N+](=O)[O-])cc1C ZINC000541776424 289511942 /nfs/dbraw/zinc/51/19/42/289511942.db2.gz OHPSBWTUYDCTKP-ZDUSSCGKSA-N 0 3 268.313 1.390 10 5 CDBEHN CCN[C@](C)(C[C@H](C)Oc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000068650874 520241929 /nfs/dbraw/zinc/24/19/29/520241929.db2.gz FUXHKHFXYZTDON-IINYFYTJSA-N 0 3 295.339 1.606 10 5 CDBEHN CCN[C@](COc1ccc([N+](=O)[O-])cc1)(C(N)=O)C1CC1 ZINC000069194414 520250511 /nfs/dbraw/zinc/25/05/11/520250511.db2.gz VYWBGHAAXFQMQW-AWEZNQCLSA-N 0 3 293.323 1.217 10 5 CDBEHN COCC[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000052792409 521829291 /nfs/dbraw/zinc/82/92/91/521829291.db2.gz WBSOEVYDIHPTSA-SNVBAGLBSA-N 0 3 267.285 1.206 10 5 CDBEHN CN[C@@](C)(C[C@H](C)Oc1ccc([N+](=O)[O-])cc1F)C(N)=O ZINC000068651451 522420096 /nfs/dbraw/zinc/42/00/96/522420096.db2.gz OFYOSEKUGUMSPG-SDBXPKJASA-N 0 3 299.302 1.355 10 5 CDBEHN COC[C@@H](O)COc1ccc([N+](=O)[O-])cc1CNC(C)C ZINC000069053616 522427763 /nfs/dbraw/zinc/42/77/63/522427763.db2.gz KIYUQCVSMWSZRD-CYBMUJFWSA-N 0 3 298.339 1.479 10 5 CDBEHN O=C1[C@H](N2CC[C@@H]3C[C@@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000761086278 576545752 /nfs/dbraw/zinc/54/57/52/576545752.db2.gz CBVUUMKMQLPADF-HONMWMINSA-N 0 3 287.319 1.794 10 5 CDBEHN CC(COC(=O)CCC(=O)c1ccccc1)[N+](=O)[O-] ZINC000813108750 617345504 /nfs/dbraw/zinc/34/55/04/617345504.db2.gz AICAPZPZJRSUQU-SNVBAGLBSA-N 0 3 265.265 1.858 10 5 CDBEHN CC(COC(=O)c1ccc2c(c1)CCO2)[N+](=O)[O-] ZINC000813114362 617349082 /nfs/dbraw/zinc/34/90/82/617349082.db2.gz QSETZYIMTZQNRA-QMMMGPOBSA-N 0 3 251.238 1.444 10 5 CDBEHN CC(COC(=O)[C@@H](c1ccccc1)n1cccn1)[N+](=O)[O-] ZINC000813112927 1163816167 /nfs/dbraw/zinc/81/61/67/1163816167.db2.gz MGOBMIXXGKUJCP-DGCLKSJQSA-N 0 3 289.291 1.681 10 5 CDBEHN O=[N+]([O-])c1cccc(CN2C[C@H](CO)[C@@H](CCO)C2)c1 ZINC001620677301 1172602830 /nfs/dbraw/zinc/60/28/30/1172602830.db2.gz NIZUOSDZQXMCOM-QWHCGFSZSA-N 0 3 280.324 1.018 10 5 CDBEHN COCc1ncc(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813115437 1163818078 /nfs/dbraw/zinc/81/80/78/1163818078.db2.gz RZSCRANFOISOJN-LURJTMIESA-N 0 3 260.271 1.112 10 5 CDBEHN CC(COC(=O)c1ccc(Cn2cccn2)cc1)[N+](=O)[O-] ZINC000813105263 836288828 /nfs/dbraw/zinc/28/88/28/836288828.db2.gz LHAHFMIWNZCLJE-LLVKDONJSA-N 0 3 289.291 1.753 10 5 CDBEHN CC(COC(=O)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813110222 836292943 /nfs/dbraw/zinc/29/29/43/836292943.db2.gz VDUUJDVCZBADCP-ZETCQYMHSA-N 0 3 254.198 1.417 10 5 CDBEHN C[C@H]1[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCN1C ZINC000928437323 836347559 /nfs/dbraw/zinc/34/75/59/836347559.db2.gz BYEZPJVWDHJITB-QPUJVOFHSA-N 0 3 281.287 1.556 10 5 CDBEHN C[C@H](NC[C@H](O)c1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000927136844 836450330 /nfs/dbraw/zinc/45/03/30/836450330.db2.gz JTEICRWTLQGWJV-HZMBPMFUSA-N 0 3 290.323 1.713 10 5 CDBEHN CC(COC(=O)CCCOc1cccnc1)[N+](=O)[O-] ZINC000813104084 836948455 /nfs/dbraw/zinc/94/84/55/836948455.db2.gz JSDPAPYBLCATJC-JTQLQIEISA-N 0 3 268.269 1.449 10 5 CDBEHN CC(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)[N+](=O)[O-] ZINC000813109118 839843333 /nfs/dbraw/zinc/84/33/33/839843333.db2.gz FPNDDKHAJXPHGB-MNOVXSKESA-N 0 3 292.291 1.248 10 5 CDBEHN CCOC(=O)C(C)(C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813103079 840338236 /nfs/dbraw/zinc/33/82/36/840338236.db2.gz MZPPMESAEVDVKV-MRVPVSSYSA-N 0 3 261.274 1.174 10 5 CDBEHN CC(COC(=O)C1CCN(CC(F)(F)F)CC1)[N+](=O)[O-] ZINC000813106558 840538659 /nfs/dbraw/zinc/53/86/59/840538659.db2.gz DONCQZRWKRRODQ-QMMMGPOBSA-N 0 3 298.261 1.469 10 5 CDBEHN CC(COC(=O)CCc1cccc2c1OCO2)[N+](=O)[O-] ZINC000813112801 840865646 /nfs/dbraw/zinc/86/56/46/840865646.db2.gz LMKGICSKEUWXFY-VIFPVBQESA-N 0 3 281.264 1.556 10 5 CDBEHN Cc1ncc(C(=O)OCC(C)[N+](=O)[O-])c(C(C)C)n1 ZINC000813107938 841937266 /nfs/dbraw/zinc/93/72/66/841937266.db2.gz ZNKVALWANAGRIX-MRVPVSSYSA-N 0 3 267.285 1.730 10 5 CDBEHN Cn1cc(CN2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c([N+](=O)[O-])n1 ZINC001176621031 914190509 /nfs/dbraw/zinc/19/05/09/914190509.db2.gz WVLNRNXXTUHUQY-QMPIGLIWSA-N 0 3 288.351 1.972 10 5 CDBEHN C[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC001559706513 960798092 /nfs/dbraw/zinc/79/80/92/960798092.db2.gz RPIMIQYQTUANSZ-LERXQTSPSA-N 0 3 280.324 1.331 10 5 CDBEHN CNC(=O)NC(=O)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001560132242 960865361 /nfs/dbraw/zinc/86/53/61/960865361.db2.gz UOSBZYFTCLYLIT-SECBINFHSA-N 0 3 294.311 1.091 10 5 CDBEHN O=[N+]([O-])c1cc(F)c(N2CC(N[C@@H]3CCOC3)C2)c(F)c1 ZINC001472889609 968973577 /nfs/dbraw/zinc/97/35/77/968973577.db2.gz ZPQOQKFRJULMQJ-MRVPVSSYSA-N 0 3 299.277 1.440 10 5 CDBEHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)c1cn[nH]c1 ZINC001654079813 1171591731 /nfs/dbraw/zinc/59/17/31/1171591731.db2.gz PYIJOYHGFHVORG-QMMMGPOBSA-N 0 3 264.289 1.174 10 5 CDBEHN C[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000401226984 342483676 /nfs/dbraw/zinc/48/36/76/342483676.db2.gz YCCUPHDXAQSSLP-OCAPTIKFSA-N 0 3 254.265 1.316 10 5 CDBEHN CN1CCN(CCCCNc2ccncc2[N+](=O)[O-])CC1 ZINC000066808685 342207156 /nfs/dbraw/zinc/20/71/56/342207156.db2.gz SMDNLRGHUPSCLL-UHFFFAOYSA-N 0 3 293.371 1.429 10 5 CDBEHN CO[C@@](C)(CO)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594514380 342912871 /nfs/dbraw/zinc/91/28/71/342912871.db2.gz VXQQBJXBFFWOND-ZWNOBZJWSA-N 0 3 268.313 1.643 10 5 CDBEHN NC1(C(=O)NCc2ccccc2[N+](=O)[O-])CC2(CCC2)C1 ZINC000595254509 343011628 /nfs/dbraw/zinc/01/16/28/343011628.db2.gz YHEUXIVLDODTKL-UHFFFAOYSA-N 0 3 289.335 1.873 10 5 CDBEHN Nc1cc(N[C@@H]2CCN(C3CC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000596090413 343233803 /nfs/dbraw/zinc/23/38/03/343233803.db2.gz DFCDJFQGJWFQOB-SNVBAGLBSA-N 0 3 292.339 1.318 10 5 CDBEHN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H](C)N1 ZINC000598535936 343828197 /nfs/dbraw/zinc/82/81/97/343828197.db2.gz LSTPBLCXOFCVMA-DTWKUNHWSA-N 0 3 267.285 1.400 10 5 CDBEHN CC(=O)N1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2C)C1 ZINC000598646830 343856466 /nfs/dbraw/zinc/85/64/66/343856466.db2.gz CDQGQUSZXXKQRJ-CYBMUJFWSA-N 0 3 277.324 1.614 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNCCc1cncn1C ZINC000598917680 343920549 /nfs/dbraw/zinc/92/05/49/343920549.db2.gz GIEHSTWAEZLYRZ-UHFFFAOYSA-N 0 3 274.324 1.969 10 5 CDBEHN C[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000093345022 147049501 /nfs/dbraw/zinc/04/95/01/147049501.db2.gz VWCZPBSFCRGFPU-FZMZJTMJSA-N 0 3 264.325 1.840 10 5 CDBEHN CN(C)C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000105927950 186092795 /nfs/dbraw/zinc/09/27/95/186092795.db2.gz IGTYZXNPHHNQNI-LLVKDONJSA-N 0 3 285.369 1.419 10 5 CDBEHN COc1ccc(NC(=O)C2(N)CCOCC2)cc1[N+](=O)[O-] ZINC000136476561 363110756 /nfs/dbraw/zinc/11/07/56/363110756.db2.gz OTSVCRNACYHUTC-UHFFFAOYSA-N 0 3 295.295 1.050 10 5 CDBEHN Cc1cnc(CCN(C)CCn2cc([N+](=O)[O-])cn2)s1 ZINC000157465910 188318589 /nfs/dbraw/zinc/31/85/89/188318589.db2.gz VKIHVMIHUDSREF-UHFFFAOYSA-N 0 3 295.368 1.731 10 5 CDBEHN CC1(C)CCCN[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000232818529 535297147 /nfs/dbraw/zinc/29/71/47/535297147.db2.gz HPBQGULPBDYYAC-CYBMUJFWSA-N 0 3 291.351 1.989 10 5 CDBEHN Cn1cc([C@@H]2CCN(CCn3ccc([N+](=O)[O-])n3)C2)cn1 ZINC000176247527 358750261 /nfs/dbraw/zinc/75/02/61/358750261.db2.gz LZZANDDIHLTGMO-LLVKDONJSA-N 0 3 290.327 1.014 10 5 CDBEHN COC[C@H](C)CNCc1cc([N+](=O)[O-])ccc1OC ZINC000045696627 360029200 /nfs/dbraw/zinc/02/92/00/360029200.db2.gz HADOLXSXJJUTPO-SNVBAGLBSA-N 0 3 268.313 1.976 10 5 CDBEHN CN(C)[C@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000170855868 369950227 /nfs/dbraw/zinc/95/02/27/369950227.db2.gz JINYDKSDRQEVBV-NSHDSACASA-N 0 3 292.339 1.169 10 5 CDBEHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)C1=CCN(C)CC1 ZINC000543754767 374458749 /nfs/dbraw/zinc/45/87/49/374458749.db2.gz GNBKXXCLFXEDJD-SNVBAGLBSA-N 0 3 290.323 1.370 10 5 CDBEHN O=[N+]([O-])c1ccc2[nH]c(N3CCN4CCC3CC4)nc2c1 ZINC000447688076 374708019 /nfs/dbraw/zinc/70/80/19/374708019.db2.gz WOZHRWZKMGLBMX-UHFFFAOYSA-N 0 3 287.323 1.756 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@@H](C)CO ZINC000228591965 375783406 /nfs/dbraw/zinc/78/34/06/375783406.db2.gz UULBWZOLZWPJHS-VHSXEESVSA-N 0 3 268.313 1.710 10 5 CDBEHN COc1ccc(C(=O)NC[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000194733029 375957253 /nfs/dbraw/zinc/95/72/53/375957253.db2.gz CWKBZRPZCOADMA-NSHDSACASA-N 0 3 293.323 1.427 10 5 CDBEHN Cc1ccc(CN2C[C@H](CO)[C@H](CCO)C2)cc1[N+](=O)[O-] ZINC001620677754 1172604467 /nfs/dbraw/zinc/60/44/67/1172604467.db2.gz WWTSBIPLDFHHSQ-ZIAGYGMSSA-N 0 3 294.351 1.326 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN(CCO)[C@H]1CCO[C@@H]1C ZINC000449677683 391268160 /nfs/dbraw/zinc/26/81/60/391268160.db2.gz NJOPYWJZJBTKFA-DOMZBBRYSA-N 0 3 294.351 1.875 10 5 CDBEHN CN(C)C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000263920536 131361751 /nfs/dbraw/zinc/36/17/51/131361751.db2.gz OJPKKGKVSJVPRF-ZDUSSCGKSA-N 0 3 277.324 1.761 10 5 CDBEHN C[C@@H]1C[C@@H](C)N1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000548754095 392507468 /nfs/dbraw/zinc/50/74/68/392507468.db2.gz AXIHHHSGIBJSPY-WZRBSPASSA-N 0 3 280.324 1.817 10 5 CDBEHN CN(C)C1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000277352136 393130154 /nfs/dbraw/zinc/13/01/54/393130154.db2.gz AFDNTZUOBMXYEE-UHFFFAOYSA-N 0 3 261.285 1.221 10 5 CDBEHN NCc1cc([N+](=O)[O-])ccc1OC[C@@H]1CCCO1 ZINC000035414576 172188673 /nfs/dbraw/zinc/18/86/73/172188673.db2.gz UFBCGKZVFYCOEK-NSHDSACASA-N 0 3 252.270 1.611 10 5 CDBEHN CC[C@@H](C)NCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000037386441 173169671 /nfs/dbraw/zinc/16/96/71/173169671.db2.gz CIAPSZFYEKGJLW-SECBINFHSA-N 0 3 251.286 1.921 10 5 CDBEHN CCOCCNCCOc1ccc([N+](=O)[O-])cc1 ZINC000038079473 174089075 /nfs/dbraw/zinc/08/90/75/174089075.db2.gz ZJWIMCFWXLRLRH-UHFFFAOYSA-N 0 3 254.286 1.600 10 5 CDBEHN CN(C[C@H]1CCN(C)C1)c1ccc(C=O)cc1[N+](=O)[O-] ZINC000071189465 176064347 /nfs/dbraw/zinc/06/43/47/176064347.db2.gz NAASENWEWHZXFK-LBPRGKRZSA-N 0 3 277.324 1.795 10 5 CDBEHN CN(C[C@@H]1CCN(C)C1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000071189330 176064482 /nfs/dbraw/zinc/06/44/82/176064482.db2.gz YZTUYGLEQDTAEM-SNVBAGLBSA-N 0 3 295.314 1.758 10 5 CDBEHN Cc1c(CNC[C@@H](O)C2CC2)cccc1[N+](=O)[O-] ZINC000071305430 176115553 /nfs/dbraw/zinc/11/55/53/176115553.db2.gz PQVUXWYWUWQSJO-CYBMUJFWSA-N 0 3 250.298 1.764 10 5 CDBEHN O=[N+]([O-])c1ccc2nc([S@](=O)[C@@H]3CCC[NH2+]C3)[n-]c2c1 ZINC000095092111 275037678 /nfs/dbraw/zinc/03/76/78/275037678.db2.gz CKDQBJNQLSGPEB-YBYGRFCBSA-N 0 3 294.336 1.331 10 5 CDBEHN O=[N+]([O-])c1ccc2[n-]c([S@](=O)[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000095092111 275037680 /nfs/dbraw/zinc/03/76/80/275037680.db2.gz CKDQBJNQLSGPEB-YBYGRFCBSA-N 0 3 294.336 1.331 10 5 CDBEHN CC(C)NCc1ccc([N+](=O)[O-])c(O[C@H]2CCOC2=O)c1 ZINC000050517175 519727380 /nfs/dbraw/zinc/72/73/80/519727380.db2.gz HPBIMYIASSVJGS-LBPRGKRZSA-N 0 3 294.307 1.787 10 5 CDBEHN CCC[C@H](C)NC(=O)COc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516128 521045878 /nfs/dbraw/zinc/04/58/78/521045878.db2.gz WULMMTXEBBLGEG-JTQLQIEISA-N 0 3 295.339 1.737 10 5 CDBEHN CN[C@](C)(C[C@@H](C)Sc1ccccc1[N+](=O)[O-])C(N)=O ZINC000068628518 522521076 /nfs/dbraw/zinc/52/10/76/522521076.db2.gz JMYWFYJGTTZFFT-NOZJJQNGSA-N 0 3 297.380 1.929 10 5 CDBEHN COc1ccc(CNCC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000078781534 524070959 /nfs/dbraw/zinc/07/09/59/524070959.db2.gz LIUBIPQGOGBXSS-SECBINFHSA-N 0 3 254.286 1.464 10 5 CDBEHN Cc1cc(C)c(OCCC[C@](C)(N)C(N)=O)c([N+](=O)[O-])c1 ZINC000050442070 524310880 /nfs/dbraw/zinc/31/08/80/524310880.db2.gz OLZGVHZYMMLQET-AWEZNQCLSA-N 0 3 295.339 1.573 10 5 CDBEHN Cc1cc(C(=O)N2[C@H](C)CNC[C@H]2C)ccc1[N+](=O)[O-] ZINC000069133263 526263199 /nfs/dbraw/zinc/26/31/99/526263199.db2.gz BWEBYVUBVCVWRM-GHMZBOCLSA-N 0 3 277.324 1.726 10 5 CDBEHN Cc1nc2cc(OC3CNC3)c([N+](=O)[O-])cc2s1 ZINC000062810109 527130959 /nfs/dbraw/zinc/13/09/59/527130959.db2.gz SITYRSINGHTVGA-UHFFFAOYSA-N 0 3 265.294 1.864 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000161012521 527407316 /nfs/dbraw/zinc/40/73/16/527407316.db2.gz QHTQOSAZRNWUML-TZMCWYRMSA-N 0 3 294.355 1.418 10 5 CDBEHN CN(c1ncccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000675056729 567021980 /nfs/dbraw/zinc/02/19/80/567021980.db2.gz WCYWPMWJMBNOGJ-UHFFFAOYSA-N 0 3 250.302 1.520 10 5 CDBEHN COc1ccc(CN2C[C@@H]3[C@H](O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC001654774381 1171637540 /nfs/dbraw/zinc/63/75/40/1171637540.db2.gz HAMHQYIUDNXMHV-MBNYWOFBSA-N 0 3 292.335 1.806 10 5 CDBEHN Cc1cc([N+](=O)[O-])cc(C(=O)NC2CCN(C)CC2)n1 ZINC001135654635 1164162446 /nfs/dbraw/zinc/16/24/46/1164162446.db2.gz YAKSWEXFAHGXDB-UHFFFAOYSA-N 0 3 278.312 1.122 10 5 CDBEHN O=[N+]([O-])c1ccc(N2CC(N[C@@H]3CCOC3)C2)cc1 ZINC001643236833 1167238424 /nfs/dbraw/zinc/23/84/24/1167238424.db2.gz AUBDCROCXXSWRO-SNVBAGLBSA-N 0 3 263.297 1.162 10 5 CDBEHN CC(COC(=O)c1cnc(C(C)(C)C)nc1)[N+](=O)[O-] ZINC000813111273 844600918 /nfs/dbraw/zinc/60/09/18/844600918.db2.gz FQWSTAXSDRDWTP-QMMMGPOBSA-N 0 3 267.285 1.596 10 5 CDBEHN CO[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000784364757 843390762 /nfs/dbraw/zinc/39/07/62/843390762.db2.gz IPNXIOOBYIJUBO-KCPJHIHWSA-N 0 3 294.351 1.985 10 5 CDBEHN CC(COC(=O)c1ccnc(O[C@H]2CCOC2)c1)[N+](=O)[O-] ZINC000813103810 843842905 /nfs/dbraw/zinc/84/29/05/843842905.db2.gz UKXJOZUAUWIVAN-ONGXEEELSA-N 0 3 296.279 1.071 10 5 CDBEHN CC(C)(O)CN1CC[C@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000865999071 845732440 /nfs/dbraw/zinc/73/24/40/845732440.db2.gz XOFROPONGAZDRD-VIFPVBQESA-N 0 3 285.369 1.913 10 5 CDBEHN C[C@@H](NC[C@H](O)C1(O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000930207631 846438454 /nfs/dbraw/zinc/43/84/54/846438454.db2.gz CTDBTKJKMFFVLC-RISCZKNCSA-N 0 3 294.351 1.911 10 5 CDBEHN CC(COC(=O)C(F)(F)c1nccs1)[N+](=O)[O-] ZINC000813103054 846652425 /nfs/dbraw/zinc/65/24/25/846652425.db2.gz MLNKYPKGZBSYBS-YFKPBYRVSA-N 0 3 266.225 1.443 10 5 CDBEHN Cc1noc(C)c1[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813103178 846766501 /nfs/dbraw/zinc/76/65/01/846766501.db2.gz APVHYMOSGZFMHO-RQJHMYQMSA-N 0 3 256.258 1.603 10 5 CDBEHN CC(COC(=O)c1cccc(-n2cncn2)c1)[N+](=O)[O-] ZINC000813115004 846837839 /nfs/dbraw/zinc/83/78/39/846837839.db2.gz IRICRZNSCKUDJP-VIFPVBQESA-N 0 3 276.252 1.089 10 5 CDBEHN CO[C@](C)(C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813111988 847888830 /nfs/dbraw/zinc/88/88/30/847888830.db2.gz MHEUJALXBBBFNG-GWCFXTLKSA-N 0 3 267.281 1.757 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928448225 847909650 /nfs/dbraw/zinc/90/96/50/847909650.db2.gz BRGQTVUJCRPPNH-CABZTGNLSA-N 0 3 293.323 1.426 10 5 CDBEHN CN1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001456156622 968876799 /nfs/dbraw/zinc/87/67/99/968876799.db2.gz DIGFGLCERABPIC-ZDUSSCGKSA-N 0 3 291.351 1.594 10 5 CDBEHN CN(C)CCN(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000202038605 342845530 /nfs/dbraw/zinc/84/55/30/342845530.db2.gz CBDGUHCQUUAYAJ-UHFFFAOYSA-N 0 3 290.323 1.710 10 5 CDBEHN CN1C[C@@H](CNCc2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000594984950 342993746 /nfs/dbraw/zinc/99/37/46/342993746.db2.gz XAQRNQWGDSWEEW-SECBINFHSA-N 0 3 281.287 1.302 10 5 CDBEHN O=C1CC[C@@H](CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)N1 ZINC000595092736 343003547 /nfs/dbraw/zinc/00/35/47/343003547.db2.gz ZWWFWJAKKWSZFI-SMDDNHRTSA-N 0 3 289.335 1.840 10 5 CDBEHN C[C@@]12COC[C@H]1CN(CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000595756526 343141991 /nfs/dbraw/zinc/14/19/91/343141991.db2.gz GRFHMRMZQRAHDC-IUODEOHRSA-N 0 3 292.335 1.942 10 5 CDBEHN CCN1CCN([C@H](C)CNc2ccncc2[N+](=O)[O-])CC1 ZINC000060375311 349800775 /nfs/dbraw/zinc/80/07/75/349800775.db2.gz VBHLIWSONUTZPG-GFCCVEGCSA-N 0 3 293.371 1.428 10 5 CDBEHN CC(C)(C)N1CC[C@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000596337388 343297823 /nfs/dbraw/zinc/29/78/23/343297823.db2.gz WGPFAJLKCVAREW-JTQLQIEISA-N 0 3 264.329 1.696 10 5 CDBEHN CN(C)[C@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000062969362 282263738 /nfs/dbraw/zinc/26/37/38/282263738.db2.gz UHBQRISALABLCZ-JTQLQIEISA-N 0 3 281.287 1.510 10 5 CDBEHN CC1(C)C[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612030367 346983587 /nfs/dbraw/zinc/98/35/87/346983587.db2.gz KDZYDADAOMAJSM-GFCCVEGCSA-N 0 3 298.364 1.757 10 5 CDBEHN Cc1ccc(CNC[C@H](O)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000598989824 343935282 /nfs/dbraw/zinc/93/52/82/343935282.db2.gz BTVHZLVRFIOVEJ-UONOGXRCSA-N 0 3 280.324 1.533 10 5 CDBEHN CN(CCc1cn(C)nn1)CCc1cccc([N+](=O)[O-])c1 ZINC000599405397 344043839 /nfs/dbraw/zinc/04/38/39/344043839.db2.gz RSMPUBXPXCQYMY-UHFFFAOYSA-N 0 3 289.339 1.440 10 5 CDBEHN C[C@@H](N[C@H]1C[C@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599070961 343949098 /nfs/dbraw/zinc/94/90/98/343949098.db2.gz NNQFDOHLFBWEKS-FBIMIBRVSA-N 0 3 263.297 1.509 10 5 CDBEHN CN1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000612611359 347221688 /nfs/dbraw/zinc/22/16/88/347221688.db2.gz TUYKVFFCXMLRJO-VIFPVBQESA-N 0 3 296.302 1.950 10 5 CDBEHN CN(C)[C@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183551716 357462942 /nfs/dbraw/zinc/46/29/42/357462942.db2.gz JKEBXZOPPXIDQR-VIFPVBQESA-N 0 3 279.300 1.158 10 5 CDBEHN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]1CN(C)C ZINC000361072658 357792480 /nfs/dbraw/zinc/79/24/80/357792480.db2.gz FPRZFEFDLMUZEM-LLVKDONJSA-N 0 3 281.360 1.650 10 5 CDBEHN CCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000123815244 358137044 /nfs/dbraw/zinc/13/70/44/358137044.db2.gz QDTRSFGDCVRVRQ-UHFFFAOYSA-N 0 3 294.355 1.712 10 5 CDBEHN COC[C@@](C)(CCO)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000267402868 363815554 /nfs/dbraw/zinc/81/55/54/363815554.db2.gz XUYRZTSSWWYUHO-CQSZACIVSA-N 0 3 282.340 1.780 10 5 CDBEHN C[C@@H]1CC[C@H](C)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000174882355 364587921 /nfs/dbraw/zinc/58/79/21/364587921.db2.gz ZXHUAWLAMYCKAF-WDEREUQCSA-N 0 3 252.318 1.912 10 5 CDBEHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC000275872648 193151139 /nfs/dbraw/zinc/15/11/39/193151139.db2.gz NWUYMAMNPVPCMX-QEJZJMRPSA-N 0 3 294.351 1.864 10 5 CDBEHN C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000330666696 203095894 /nfs/dbraw/zinc/09/58/94/203095894.db2.gz WPZOFHDITLHLQR-DGCLKSJQSA-N 0 3 280.324 1.676 10 5 CDBEHN CCN1CC[C@H](Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000389166360 374701826 /nfs/dbraw/zinc/70/18/26/374701826.db2.gz MOYJXJTXWUZEIH-JTQLQIEISA-N 0 3 250.302 1.804 10 5 CDBEHN COC[C@@](C)(O)CCNCc1ccccc1[N+](=O)[O-] ZINC000449385924 374805735 /nfs/dbraw/zinc/80/57/35/374805735.db2.gz RVHRKLJOEHNKFT-ZDUSSCGKSA-N 0 3 268.313 1.472 10 5 CDBEHN O=[N+]([O-])c1ccc(CN[C@H]2CNCCC2(F)F)cc1 ZINC000415005225 391240052 /nfs/dbraw/zinc/24/00/52/391240052.db2.gz RIKJYDGAJYCQSL-NSHDSACASA-N 0 3 271.267 1.682 10 5 CDBEHN CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)[C@@H]2C1 ZINC000408146798 391425154 /nfs/dbraw/zinc/42/51/54/391425154.db2.gz VHJOBKMISZHFQC-BXKDBHETSA-N 0 3 278.312 1.089 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CC[C@@H](C)C1 ZINC000524721440 392919465 /nfs/dbraw/zinc/91/94/65/392919465.db2.gz IJGMXKUXUPFGBM-LLVKDONJSA-N 0 3 291.351 1.975 10 5 CDBEHN O=C(Cc1ccccc1[N+](=O)[O-])N1CCN2CCC1CC2 ZINC000188653706 140099123 /nfs/dbraw/zinc/09/91/23/140099123.db2.gz JMFNXCFQLLVIKY-UHFFFAOYSA-N 0 3 289.335 1.444 10 5 CDBEHN O=[N+]([O-])c1ccn(CCN2CCC[C@H]3COCC[C@H]32)n1 ZINC000362453824 159152918 /nfs/dbraw/zinc/15/29/18/159152918.db2.gz PPPBXBPXHICJHO-NWDGAFQWSA-N 0 3 280.328 1.292 10 5 CDBEHN CC(C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000037386068 173169258 /nfs/dbraw/zinc/16/92/58/173169258.db2.gz YGXBMBMKBASBAQ-UHFFFAOYSA-N 0 3 255.249 1.670 10 5 CDBEHN CCCNCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000044288074 175159634 /nfs/dbraw/zinc/15/96/34/175159634.db2.gz JPQCZBHIKHYNFO-UHFFFAOYSA-N 0 3 255.249 1.672 10 5 CDBEHN CCn1nc(C)c([N+](=O)[O-])c1N1CCN2CCC[C@H]2C1 ZINC000248662418 280372078 /nfs/dbraw/zinc/37/20/78/280372078.db2.gz GVAMUMGCKAPMKL-NSHDSACASA-N 0 3 279.344 1.404 10 5 CDBEHN CNC(C)(C)C(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000061300779 521942944 /nfs/dbraw/zinc/94/29/44/521942944.db2.gz DECYCYXIYCUVKW-UHFFFAOYSA-N 0 3 255.249 1.670 10 5 CDBEHN CC(C)C[C@H](CN(C)C)Nc1ncc([N+](=O)[O-])cn1 ZINC000049558086 519344114 /nfs/dbraw/zinc/34/41/14/519344114.db2.gz NUUXZMIJIIOJPY-SNVBAGLBSA-N 0 3 267.333 1.773 10 5 CDBEHN CC(C)N(CCO)CCc1ccccc1[N+](=O)[O-] ZINC000062727276 519649478 /nfs/dbraw/zinc/64/94/78/519649478.db2.gz IJCFNJLWZSABRO-UHFFFAOYSA-N 0 3 252.314 1.840 10 5 CDBEHN CCNCc1cc([N+](=O)[O-])ccc1OC[C@H](O)COCC ZINC000069275492 519993632 /nfs/dbraw/zinc/99/36/32/519993632.db2.gz NQWUVPLBLVUGBW-CYBMUJFWSA-N 0 3 298.339 1.481 10 5 CDBEHN CCOC[C@@H](O)COc1ccc([N+](=O)[O-])cc1CNC ZINC000069275490 520107079 /nfs/dbraw/zinc/10/70/79/520107079.db2.gz XCXXYUOXNZXMMY-GFCCVEGCSA-N 0 3 284.312 1.090 10 5 CDBEHN CCN[C@@](COc1ccccc1[N+](=O)[O-])(C(N)=O)C1CC1 ZINC000069194175 520158380 /nfs/dbraw/zinc/15/83/80/520158380.db2.gz PSIXUQDOCKZUGG-CQSZACIVSA-N 0 3 293.323 1.217 10 5 CDBEHN CCN[C@](C)(CCOc1ccc(C)cc1[N+](=O)[O-])C(N)=O ZINC000045466354 520230848 /nfs/dbraw/zinc/23/08/48/520230848.db2.gz XZELUZNVIJGYNL-CQSZACIVSA-N 0 3 295.339 1.526 10 5 CDBEHN CNCc1ccc([N+](=O)[O-])c(O[C@H]2CCOC2=O)c1 ZINC000050516775 522127729 /nfs/dbraw/zinc/12/77/29/522127729.db2.gz HULWHGILLBTZHX-JTQLQIEISA-N 0 3 266.253 1.009 10 5 CDBEHN CCn1cc([N+](=O)[O-])cc1C(=O)N1[C@@H](C)CNC[C@@H]1C ZINC000069133109 523483972 /nfs/dbraw/zinc/48/39/72/523483972.db2.gz OUPQFKOJAQJDTJ-UWVGGRQHSA-N 0 3 280.328 1.239 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1CO ZINC000183296081 525564718 /nfs/dbraw/zinc/56/47/18/525564718.db2.gz MFKKJLLNTXTEQT-ZDUSSCGKSA-N 0 3 250.298 1.860 10 5 CDBEHN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCCN(C)C1 ZINC000052812565 525577997 /nfs/dbraw/zinc/57/79/97/525577997.db2.gz YIYVGAXNICMNFD-JTQLQIEISA-N 0 3 250.302 1.804 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H](C)CNC[C@H]1C ZINC000069132913 526072461 /nfs/dbraw/zinc/07/24/61/526072461.db2.gz BZOQLZZDLHEPTB-GHMZBOCLSA-N 0 3 277.324 1.726 10 5 CDBEHN NCc1cnn(Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000054716795 527264796 /nfs/dbraw/zinc/26/47/96/527264796.db2.gz SUCUGTLSGRIXSL-UHFFFAOYSA-N 0 3 266.688 1.952 10 5 CDBEHN COc1cc(CN[C@@H]2CC23CC3)c([N+](=O)[O-])cc1O ZINC000424183580 536807184 /nfs/dbraw/zinc/80/71/84/536807184.db2.gz JUOHUEUXJKUWSI-GFCCVEGCSA-N 0 3 264.281 1.951 10 5 CDBEHN CC(COC(=O)CCC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813104768 617342996 /nfs/dbraw/zinc/34/29/96/617342996.db2.gz REBPFTQHSIGWHL-QMMMGPOBSA-N 0 3 261.274 1.317 10 5 CDBEHN CC1(C)CCN(CCNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC001651507133 1171330483 /nfs/dbraw/zinc/33/04/83/1171330483.db2.gz MBHXMQFOMFLPMD-UHFFFAOYSA-N 0 3 280.332 1.111 10 5 CDBEHN CC(COC(=O)c1ccnn1C1CCCC1)[N+](=O)[O-] ZINC000813100104 697840968 /nfs/dbraw/zinc/84/09/68/697840968.db2.gz MQQHMNQTAMGCKW-SECBINFHSA-N 0 3 267.285 1.820 10 5 CDBEHN Cc1nn(C)c(N[C@H]2CCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000719622511 698067759 /nfs/dbraw/zinc/06/77/59/698067759.db2.gz FVNFOUKXHGVDGN-IUCAKERBSA-N 0 3 253.306 1.141 10 5 CDBEHN CC(COC(=O)c1ccccc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813106171 698317015 /nfs/dbraw/zinc/31/70/15/698317015.db2.gz ZWQUGQFHHCBKMZ-ZETCQYMHSA-N 0 3 254.198 1.417 10 5 CDBEHN CC(COC(=O)c1ccccc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813106170 848963801 /nfs/dbraw/zinc/96/38/01/848963801.db2.gz ZWQUGQFHHCBKMZ-SSDOTTSWSA-N 0 3 254.198 1.417 10 5 CDBEHN CCCC(=O)N1CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813113938 849509014 /nfs/dbraw/zinc/50/90/14/849509014.db2.gz WQYCQLJPCSLVPA-MNOVXSKESA-N 0 3 286.328 1.234 10 5 CDBEHN CC(COC(=O)[C@@H]1CC(C)(C)OC1(C)C)[N+](=O)[O-] ZINC000860775982 850181799 /nfs/dbraw/zinc/18/17/99/850181799.db2.gz AJQJFXBKYKDYGL-IUCAKERBSA-N 0 3 259.302 1.789 10 5 CDBEHN CC(COC(=O)C1CCC(NC(=O)C2CC2)CC1)[N+](=O)[O-] ZINC000813104385 850332762 /nfs/dbraw/zinc/33/27/62/850332762.db2.gz ZRIISWDFPAHUAX-GCVQQVDUSA-N 0 3 298.339 1.280 10 5 CDBEHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C(C)(C)O ZINC001473125373 970758096 /nfs/dbraw/zinc/75/80/96/970758096.db2.gz RWOSVAGVDPYKKF-AWEZNQCLSA-N 0 3 296.367 1.937 10 5 CDBEHN C[C@H](NCCc1cn(C)nn1)c1cccc([N+](=O)[O-])c1 ZINC000592392949 342690541 /nfs/dbraw/zinc/69/05/41/342690541.db2.gz KTRWQMJFIVMVJO-JTQLQIEISA-N 0 3 275.312 1.617 10 5 CDBEHN O=C(NC[C@H]1CCN1C1CCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000600472399 342215481 /nfs/dbraw/zinc/21/54/81/342215481.db2.gz XKOVCABGCAVSII-SNVBAGLBSA-N 0 3 293.327 1.065 10 5 CDBEHN CO[C@@](C)(CO)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594514378 342912910 /nfs/dbraw/zinc/91/29/10/342912910.db2.gz VXQQBJXBFFWOND-GXFFZTMASA-N 0 3 268.313 1.643 10 5 CDBEHN COC[C@H](CCNCc1ccc([N+](=O)[O-])cc1F)OC ZINC000594954606 342983075 /nfs/dbraw/zinc/98/30/75/342983075.db2.gz ILDVEXQRODOCFG-LBPRGKRZSA-N 0 3 286.303 1.875 10 5 CDBEHN CN1CCNC[C@H]1c1noc(-c2ccc([N+](=O)[O-])s2)n1 ZINC000263153270 362090885 /nfs/dbraw/zinc/09/08/85/362090885.db2.gz DEJPJARUCAPCLU-ZETCQYMHSA-N 0 3 295.324 1.282 10 5 CDBEHN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)[C@H]1O ZINC000595748863 343151374 /nfs/dbraw/zinc/15/13/74/343151374.db2.gz ITLMATRCVSETMD-JYAVWHMHSA-N 0 3 294.351 1.922 10 5 CDBEHN O=[N+]([O-])c1ccccc1/C=C/CN1CCOC2(CNC2)C1 ZINC000596106275 343228660 /nfs/dbraw/zinc/22/86/60/343228660.db2.gz NPBQJUXGUZYNOQ-HWKANZROSA-N 0 3 289.335 1.282 10 5 CDBEHN CN1C[C@@H]2CCCN(c3ccc(N)c([N+](=O)[O-])n3)[C@@H]2C1 ZINC000596281065 343286933 /nfs/dbraw/zinc/28/69/33/343286933.db2.gz HUVJPGQCIKIKJE-GXSJLCMTSA-N 0 3 277.328 1.102 10 5 CDBEHN CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCN(CC)C1 ZINC000598040224 343703112 /nfs/dbraw/zinc/70/31/12/343703112.db2.gz FBOTYVKPLARMLW-JTQLQIEISA-N 0 3 280.328 1.479 10 5 CDBEHN COC(=O)c1ccnc(NC[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000598587434 343835732 /nfs/dbraw/zinc/83/57/32/343835732.db2.gz AEJLAMPNGKASER-SECBINFHSA-N 0 3 294.311 1.283 10 5 CDBEHN NC(=O)[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000599003367 343937307 /nfs/dbraw/zinc/93/73/07/343937307.db2.gz KCIJVSDMPUTBBN-ZKCHVHJHSA-N 0 3 255.299 1.010 10 5 CDBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CCC(N)=O ZINC000016420382 348528052 /nfs/dbraw/zinc/52/80/52/348528052.db2.gz QFOOSIRIHDDVET-SECBINFHSA-N 0 3 251.286 1.463 10 5 CDBEHN C[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000046859692 348798577 /nfs/dbraw/zinc/79/85/77/348798577.db2.gz LMMDLMXTZCWARA-JTQLQIEISA-N 0 3 280.328 1.527 10 5 CDBEHN C[C@H]1CC[C@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551316 180003075 /nfs/dbraw/zinc/00/30/75/180003075.db2.gz ICRMEBJDCUEBSZ-RYUDHWBXSA-N 0 3 279.340 1.877 10 5 CDBEHN CCN1CCO[C@H](CN[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000253192273 350488792 /nfs/dbraw/zinc/48/87/92/350488792.db2.gz MXRQCWQNFGYBRY-IUODEOHRSA-N 0 3 293.367 1.966 10 5 CDBEHN CC[C@@H]1CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000292411279 198278314 /nfs/dbraw/zinc/27/83/14/198278314.db2.gz MBKLXZNAXPULFX-VXGBXAGGSA-N 0 3 280.324 1.819 10 5 CDBEHN CN1CC[C@@H]2OCCN(c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000284577924 283090594 /nfs/dbraw/zinc/09/05/94/283090594.db2.gz OYAWUIZTWXFING-KGLIPLIRSA-N 0 3 277.324 1.504 10 5 CDBEHN CC(C)N1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000273580487 192213642 /nfs/dbraw/zinc/21/36/42/192213642.db2.gz FRXWZZQJIFTASJ-VIFPVBQESA-N 0 3 251.290 1.279 10 5 CDBEHN C[C@H](N[C@@H]1CCC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000084062942 357440370 /nfs/dbraw/zinc/44/03/70/357440370.db2.gz BQMWRMCUAUCEHW-CMPLNLGQSA-N 0 3 277.324 1.866 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)[C@H](C)CO ZINC000450734009 358995321 /nfs/dbraw/zinc/99/53/21/358995321.db2.gz UGXVYZNJOKURAQ-GHMZBOCLSA-N 0 3 295.339 1.448 10 5 CDBEHN O=[N+]([O-])c1ccc(CNC[C@H]2CCCCN2CCO)cc1 ZINC000449398989 359006185 /nfs/dbraw/zinc/00/61/85/359006185.db2.gz ZJCZJBXDPASJPX-OAHLLOKOSA-N 0 3 293.367 1.531 10 5 CDBEHN NC(=O)C[C@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000339137819 359299778 /nfs/dbraw/zinc/29/97/78/359299778.db2.gz WGPSZMVRXLVQGZ-GFCCVEGCSA-N 0 3 277.324 1.825 10 5 CDBEHN O=[N+]([O-])c1ccc(CCN2CCNC[C@@H]2C(F)F)cc1 ZINC000581012018 363963418 /nfs/dbraw/zinc/96/34/18/363963418.db2.gz OKFCZGOSRNTEQV-GFCCVEGCSA-N 0 3 285.294 1.676 10 5 CDBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1CN(C)C ZINC000330921907 203391883 /nfs/dbraw/zinc/39/18/83/203391883.db2.gz ARDNKWBWJZUOJJ-NSHDSACASA-N 0 3 292.339 1.464 10 5 CDBEHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CCN1C ZINC000531634254 374504138 /nfs/dbraw/zinc/50/41/38/374504138.db2.gz PDCHXMCCFCFTIA-ZJUUUORDSA-N 0 3 278.312 1.202 10 5 CDBEHN CN(C)C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531882470 374513328 /nfs/dbraw/zinc/51/33/28/374513328.db2.gz LFZSXDRXRWXQIP-GFCCVEGCSA-N 0 3 292.339 1.546 10 5 CDBEHN O=[N+]([O-])c1ccc(Cl)c(CNCCCOCCO)c1 ZINC000227334354 375504299 /nfs/dbraw/zinc/50/42/99/375504299.db2.gz PXRFOGCAKNZELD-UHFFFAOYSA-N 0 3 288.731 1.737 10 5 CDBEHN COC[C@@H](C)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000189749484 378173022 /nfs/dbraw/zinc/17/30/22/378173022.db2.gz SUQMVCQDUOWMBW-ZDUSSCGKSA-N 0 3 293.367 1.999 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN[C@H](c2cccnc2)C2CC2)c1 ZINC000445769516 250231460 /nfs/dbraw/zinc/23/14/60/250231460.db2.gz VJSLAXOJCVMPSE-AWEZNQCLSA-N 0 3 287.323 1.927 10 5 CDBEHN O=[N+]([O-])c1ccc(NC[C@H]2CCCCN2CCO)cn1 ZINC000450619246 251370132 /nfs/dbraw/zinc/37/01/32/251370132.db2.gz URVGFOMOGYHEGY-GFCCVEGCSA-N 0 3 280.328 1.249 10 5 CDBEHN C[C@H](O)CCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000450938941 390580589 /nfs/dbraw/zinc/58/05/89/390580589.db2.gz LCUADTPSPKRXPU-NSHDSACASA-N 0 3 252.314 1.840 10 5 CDBEHN Cc1cc(N2C[C@@H](C)N(CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000419002016 392884060 /nfs/dbraw/zinc/88/40/60/392884060.db2.gz LXHMMFOKXOZXGK-CHWSQXEVSA-N 0 3 293.367 1.795 10 5 CDBEHN O=C(CCNCc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000020127374 171012777 /nfs/dbraw/zinc/01/27/77/171012777.db2.gz PIHBKMNRQUHHBO-UHFFFAOYSA-N 0 3 277.324 1.697 10 5 CDBEHN CN(C)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000035368040 172159804 /nfs/dbraw/zinc/15/98/04/172159804.db2.gz HMNCXYWBEWBYEJ-UHFFFAOYSA-N 0 3 257.721 1.899 10 5 CDBEHN O=C(CNC1CC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000037386708 173170217 /nfs/dbraw/zinc/17/02/17/173170217.db2.gz OMSDALSJDNXNDG-UHFFFAOYSA-N 0 3 253.233 1.424 10 5 CDBEHN CO[C@@H]1CN[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000040633251 174359358 /nfs/dbraw/zinc/35/93/58/174359358.db2.gz AWROOPINOXGMNG-CMPLNLGQSA-N 0 3 279.296 1.219 10 5 CDBEHN C[C@@](N)(C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000040676283 174373725 /nfs/dbraw/zinc/37/37/25/174373725.db2.gz FHTWYAUYUXHUFN-AWEZNQCLSA-N 0 3 277.324 1.381 10 5 CDBEHN Cc1cc(NC(=O)[C@H](C)N2CCNCC2)ccc1[N+](=O)[O-] ZINC000043570301 175067888 /nfs/dbraw/zinc/06/78/88/175067888.db2.gz LEQOCTFHGXSNGU-NSHDSACASA-N 0 3 292.339 1.135 10 5 CDBEHN C[C@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000046857471 175399944 /nfs/dbraw/zinc/39/99/44/175399944.db2.gz DCLAGUZYAYKJDM-JTQLQIEISA-N 0 3 281.312 1.792 10 5 CDBEHN COC[C@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000071267190 176100684 /nfs/dbraw/zinc/10/06/84/176100684.db2.gz GUUYTTOLTDRZHB-VHSXEESVSA-N 0 3 254.286 1.253 10 5 CDBEHN C[C@H]1CC[C@@H](O)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000399164669 270369641 /nfs/dbraw/zinc/36/96/41/270369641.db2.gz CSZVKMZSQDDSIO-SMDDNHRTSA-N 0 3 264.325 1.983 10 5 CDBEHN CC(C)OC[C@@H](O)CNCc1ccccc1[N+](=O)[O-] ZINC000050015749 519772157 /nfs/dbraw/zinc/77/21/57/519772157.db2.gz JOODBIIYBLJWEG-LBPRGKRZSA-N 0 3 268.313 1.470 10 5 CDBEHN CN[C@@H](CCOc1ccc([N+](=O)[O-])cc1Cl)C(N)=O ZINC000062539717 522348121 /nfs/dbraw/zinc/34/81/21/522348121.db2.gz ZCFRIJMFNIRKCP-VIFPVBQESA-N 0 3 287.703 1.090 10 5 CDBEHN CN[C@@](C)(C[C@H](C)Oc1ccccc1[N+](=O)[O-])C(N)=O ZINC000068650966 522423534 /nfs/dbraw/zinc/42/35/34/522423534.db2.gz JZHQCLFNKWLPJI-ZANVPECISA-N 0 3 281.312 1.216 10 5 CDBEHN CC(C)(C)NC(=O)COc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516602 518737543 /nfs/dbraw/zinc/73/75/43/518737543.db2.gz PCBNRRWSKDDVKA-UHFFFAOYSA-N 0 3 281.312 1.347 10 5 CDBEHN CC(C)[C@@H](CN(C)C)Nc1c([N+](=O)[O-])ncn1C ZINC000049218577 519793972 /nfs/dbraw/zinc/79/39/72/519793972.db2.gz JZQZXPRALNYVOI-SECBINFHSA-N 0 3 255.322 1.326 10 5 CDBEHN CC1(C)NC(=O)CC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000338473459 520598931 /nfs/dbraw/zinc/59/89/31/520598931.db2.gz LHEXNJDCBSUZRS-GFCCVEGCSA-N 0 3 277.324 1.742 10 5 CDBEHN CC[C@@H](O)COc1ccc(CNCCOC)cc1[N+](=O)[O-] ZINC000062730730 523009347 /nfs/dbraw/zinc/00/93/47/523009347.db2.gz IDIQONUANUXNAH-GFCCVEGCSA-N 0 3 298.339 1.481 10 5 CDBEHN C[C@](CCOc1ccc([N+](=O)[O-])cc1)(NC1CC1)C(N)=O ZINC000045464626 525137451 /nfs/dbraw/zinc/13/74/51/525137451.db2.gz ICASOTBMXLOWTP-CQSZACIVSA-N 0 3 293.323 1.360 10 5 CDBEHN Cc1ccc(O[C@H](C)C[C@](C)(N)C(N)=O)c([N+](=O)[O-])c1 ZINC000068652089 525470136 /nfs/dbraw/zinc/47/01/36/525470136.db2.gz OTBFOPPXSNRSIN-RNCFNFMXSA-N 0 3 281.312 1.263 10 5 CDBEHN O=[N+]([O-])c1cnccc1NC[C@@H]1CCCCN1C1CC1 ZINC000340871202 527322934 /nfs/dbraw/zinc/32/29/34/527322934.db2.gz OKNOCLXNIZFJML-LBPRGKRZSA-N 0 3 276.340 1.841 10 5 CDBEHN Cc1cccc(O[C@H](C)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813108764 617345462 /nfs/dbraw/zinc/34/54/62/617345462.db2.gz AILKNTTXMLFMNT-WDEREUQCSA-N 0 3 267.281 1.971 10 5 CDBEHN C[C@@H](NC[C@H](O)c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000927137577 621795767 /nfs/dbraw/zinc/79/57/67/621795767.db2.gz QSTUKORWCUYTQQ-YGRLFVJLSA-N 0 3 290.323 1.713 10 5 CDBEHN C[C@@H]1[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000902925953 625639156 /nfs/dbraw/zinc/63/91/56/625639156.db2.gz QSJQJSWOIBRFGN-BXKDBHETSA-N 0 3 278.312 1.809 10 5 CDBEHN C[C@H]1[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000915089848 631648145 /nfs/dbraw/zinc/64/81/45/631648145.db2.gz MOHHYBLBFIFPAJ-GWCFXTLKSA-N 0 3 292.339 1.487 10 5 CDBEHN COc1ccccc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813107850 1163813911 /nfs/dbraw/zinc/81/39/11/1163813911.db2.gz XZBBOGWNJBVPLE-SECBINFHSA-N 0 3 253.254 1.446 10 5 CDBEHN COC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813109504 706151172 /nfs/dbraw/zinc/15/11/72/706151172.db2.gz JZKVTKHYZNMFPU-LURJTMIESA-N 0 3 273.266 1.357 10 5 CDBEHN CC(COC(=O)c1cc2c(s1)CCOC2)[N+](=O)[O-] ZINC000813103146 710061146 /nfs/dbraw/zinc/06/11/46/710061146.db2.gz AHGGKJGMJXNTAU-ZETCQYMHSA-N 0 3 271.294 1.643 10 5 CDBEHN Cc1nn(CC(=O)OCC(C)[N+](=O)[O-])c(C)c1Cl ZINC000813115368 710293938 /nfs/dbraw/zinc/29/39/38/710293938.db2.gz QCWONOOWSUYHPX-ZCFIWIBFSA-N 0 3 275.692 1.362 10 5 CDBEHN Cc1ccc(CN[C@@H]2CC23CC(O)C3)cc1[N+](=O)[O-] ZINC000724964841 710740872 /nfs/dbraw/zinc/74/08/72/710740872.db2.gz HRGKVPIYYBPYDX-HRDQMINSSA-N 0 3 262.309 1.906 10 5 CDBEHN COc1ccc2c(c1)OC[C@@H]2CC(=O)OCC(C)[N+](=O)[O-] ZINC000813105325 710815182 /nfs/dbraw/zinc/81/51/82/710815182.db2.gz LWNLUJCATROATR-ZJUUUORDSA-N 0 3 295.291 1.770 10 5 CDBEHN CCn1nc(C)c(CC(=O)OCC(C)[N+](=O)[O-])c1C ZINC000797280197 711370301 /nfs/dbraw/zinc/37/03/01/711370301.db2.gz MUMJUTHQYNRHAL-QMMMGPOBSA-N 0 3 269.301 1.271 10 5 CDBEHN CC(COC(=O)c1scnc1Br)[N+](=O)[O-] ZINC000813102227 711467899 /nfs/dbraw/zinc/46/78/99/711467899.db2.gz PMVMAABDZMLGKG-BYPYZUCNSA-N 0 3 295.114 1.728 10 5 CDBEHN CC(COC(=O)[C@@H]1CCN(CC(F)(F)F)C1)[N+](=O)[O-] ZINC000813110743 711487335 /nfs/dbraw/zinc/48/73/35/711487335.db2.gz INWXKLFTDVDRRP-HTQZYQBOSA-N 0 3 284.234 1.079 10 5 CDBEHN CCn1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813115573 711520550 /nfs/dbraw/zinc/52/05/50/711520550.db2.gz VUHTWUSXZKGOEM-SSDOTTSWSA-N 0 3 255.274 1.342 10 5 CDBEHN CC(C)(O)CN1CC[C@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000865996779 711660694 /nfs/dbraw/zinc/66/06/94/711660694.db2.gz PBLQNSMPKMVJLL-VIFPVBQESA-N 0 3 285.369 1.913 10 5 CDBEHN COc1ccc2c(c1)OC[C@H]2CC(=O)OCC(C)[N+](=O)[O-] ZINC000813105321 711802583 /nfs/dbraw/zinc/80/25/83/711802583.db2.gz LWNLUJCATROATR-NXEZZACHSA-N 0 3 295.291 1.770 10 5 CDBEHN C[C@H]1[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000928458709 711811443 /nfs/dbraw/zinc/81/14/43/711811443.db2.gz XOKFSFPGAIVGEW-GWCFXTLKSA-N 0 3 293.323 1.182 10 5 CDBEHN Cc1ccnc(N[C@H]2CCN(CC(C)(C)O)C2)c1[N+](=O)[O-] ZINC000865998423 711829586 /nfs/dbraw/zinc/82/95/86/711829586.db2.gz HJQNOYZVSDGQCD-NSHDSACASA-N 0 3 294.355 1.555 10 5 CDBEHN C[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC001559706514 960794719 /nfs/dbraw/zinc/79/47/19/960794719.db2.gz RPIMIQYQTUANSZ-SWHYSGLUSA-N 0 3 280.324 1.331 10 5 CDBEHN C[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC001559706511 960798514 /nfs/dbraw/zinc/79/85/14/960798514.db2.gz RPIMIQYQTUANSZ-DDTOSNHZSA-N 0 3 280.324 1.331 10 5 CDBEHN CN(CCc1ccc([N+](=O)[O-])cc1)C1CCS(=O)CC1 ZINC001653586124 1171552995 /nfs/dbraw/zinc/55/29/95/1171552995.db2.gz XIESWFDHTQLWOF-UHFFFAOYSA-N 0 3 296.392 1.980 10 5 CDBEHN CN1CC[C@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401277034 342485275 /nfs/dbraw/zinc/48/52/75/342485275.db2.gz WNUHZSHKYYCPQD-MRVPVSSYSA-N 0 3 254.265 1.493 10 5 CDBEHN Cc1cccc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590443518 342546420 /nfs/dbraw/zinc/54/64/20/342546420.db2.gz KPPWNRWILGTQTM-AAEUAGOBSA-N 0 3 289.335 1.679 10 5 CDBEHN O=[N+]([O-])c1ccc([O-])cc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000593727449 342829608 /nfs/dbraw/zinc/82/96/08/342829608.db2.gz KFWDMNFGGFEFJM-UHFFFAOYSA-N 0 3 291.351 1.876 10 5 CDBEHN CO[C@](C)(CO)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000594514677 342913128 /nfs/dbraw/zinc/91/31/28/342913128.db2.gz ZDMFYZJQORSBHZ-FZMZJTMJSA-N 0 3 282.340 1.951 10 5 CDBEHN C/C=C\CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600758165 342247825 /nfs/dbraw/zinc/24/78/25/342247825.db2.gz WERHYLGQDSJYRY-DLGQBQFBSA-N 0 3 266.297 1.500 10 5 CDBEHN COc1cc(CN[C@@H]2C[C@H](O)C23CCC3)ccc1[N+](=O)[O-] ZINC000595779388 343149883 /nfs/dbraw/zinc/14/98/83/343149883.db2.gz DOQUWUUCGFXKGY-KGLIPLIRSA-N 0 3 292.335 1.997 10 5 CDBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000596439931 343321911 /nfs/dbraw/zinc/32/19/11/343321911.db2.gz HMIBJMKSZIVHPU-SECBINFHSA-N 0 3 280.328 1.526 10 5 CDBEHN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1 ZINC000597946376 343676050 /nfs/dbraw/zinc/67/60/50/343676050.db2.gz PSBXZVBQMXNKCM-AWEZNQCLSA-N 0 3 291.351 1.690 10 5 CDBEHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1cccnc1[N+](=O)[O-] ZINC000610709955 346367765 /nfs/dbraw/zinc/36/77/65/346367765.db2.gz QAULDDGHTILXSJ-SKDRFNHKSA-N 0 3 262.313 1.884 10 5 CDBEHN Cc1ccc(CNC2(CCO)CCOCC2)cc1[N+](=O)[O-] ZINC000610771643 346403494 /nfs/dbraw/zinc/40/34/94/346403494.db2.gz NMRBSUFCOASTCG-UHFFFAOYSA-N 0 3 294.351 1.924 10 5 CDBEHN COC[C@](C)(CCO)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154434540 188142299 /nfs/dbraw/zinc/14/22/99/188142299.db2.gz AMRXEWIONBTUJO-KGLIPLIRSA-N 0 3 298.339 1.005 10 5 CDBEHN CCOC(=O)C1C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000725255996 538451897 /nfs/dbraw/zinc/45/18/97/538451897.db2.gz QNQFHKGBQCZMGL-VIFPVBQESA-N 0 3 250.210 1.194 10 5 CDBEHN COCCNCCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000130608393 358312746 /nfs/dbraw/zinc/31/27/46/358312746.db2.gz LRCKVJOQVKFLII-UHFFFAOYSA-N 0 3 290.323 1.791 10 5 CDBEHN C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])nc2)CCN1C ZINC000581469701 363994648 /nfs/dbraw/zinc/99/46/48/363994648.db2.gz ZCEIHCXUHGOOPE-MNOVXSKESA-N 0 3 264.329 1.909 10 5 CDBEHN NC(=O)c1cccc([N+](=O)[O-])c1NCCN1CCCC1 ZINC000420580701 244264341 /nfs/dbraw/zinc/26/43/41/244264341.db2.gz FZAFVOOVPGWJBD-UHFFFAOYSA-N 0 3 278.312 1.201 10 5 CDBEHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170859333 369951530 /nfs/dbraw/zinc/95/15/30/369951530.db2.gz KVUVWJWWLTUDOP-LLVKDONJSA-N 0 3 293.323 1.380 10 5 CDBEHN CN(C)[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000170863652 369978650 /nfs/dbraw/zinc/97/86/50/369978650.db2.gz NZMJHCVJRVOORH-LLVKDONJSA-N 0 3 293.323 1.136 10 5 CDBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@](C)(O)CO ZINC000619464239 374043691 /nfs/dbraw/zinc/04/36/91/374043691.db2.gz CTQPUPSDYKJSNT-RQWJFSOLSA-N 0 3 280.324 1.331 10 5 CDBEHN C[C@H]1NC(=O)CC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000282361526 375080757 /nfs/dbraw/zinc/08/07/57/375080757.db2.gz NJCXVRTUAQGZLM-SKDRFNHKSA-N 0 3 263.297 1.352 10 5 CDBEHN CC[C@@H](Cn1cncn1)NCc1ccc([N+](=O)[O-])cc1 ZINC000353254011 375591126 /nfs/dbraw/zinc/59/11/26/375591126.db2.gz LVBBYKBQIWCDKO-LBPRGKRZSA-N 0 3 275.312 1.755 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC[C@]1(O)CCO[C@H]1C ZINC000278557350 194042233 /nfs/dbraw/zinc/04/22/33/194042233.db2.gz CCTKGSDLZBIFTC-SMDDNHRTSA-N 0 3 280.324 1.533 10 5 CDBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000278746846 194135906 /nfs/dbraw/zinc/13/59/06/194135906.db2.gz AQLPDFWCVYNALO-XHDPSFHLSA-N 0 3 289.335 1.868 10 5 CDBEHN O=[N+]([O-])c1ccc(N[C@@H](CO)CN2CCCCC2)cn1 ZINC000450520548 251322006 /nfs/dbraw/zinc/32/20/06/251322006.db2.gz QPKSEJSCDQRGGD-GFCCVEGCSA-N 0 3 280.328 1.249 10 5 CDBEHN CCOC(=O)COCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451101737 390597231 /nfs/dbraw/zinc/59/72/31/390597231.db2.gz FTQOFSCBBDYTLO-NSHDSACASA-N 0 3 296.323 1.825 10 5 CDBEHN O=[N+]([O-])c1ccc(OCCN2C[C@@H](O)C3(CC3)C2)cc1 ZINC000364435601 390964455 /nfs/dbraw/zinc/96/44/55/390964455.db2.gz SQDNSBAACSCHBC-CYBMUJFWSA-N 0 3 278.308 1.430 10 5 CDBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408153164 391432042 /nfs/dbraw/zinc/43/20/42/391432042.db2.gz IVSJSBGHYZTNSO-VHSXEESVSA-N 0 3 278.312 1.232 10 5 CDBEHN CNC(=O)[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000421387670 392932517 /nfs/dbraw/zinc/93/25/17/392932517.db2.gz PDQPZCWPORDRPD-DIECRNLCSA-N 0 3 289.335 1.676 10 5 CDBEHN COC(=O)[C@@](C)(O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000429685083 393085303 /nfs/dbraw/zinc/08/53/03/393085303.db2.gz LZZLFZZGSZTVFW-HZMBPMFUSA-N 0 3 296.323 1.478 10 5 CDBEHN CC1=C[C@@H](C)CN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000430286501 393096647 /nfs/dbraw/zinc/09/66/47/393096647.db2.gz UJEHSSDFVNEHNW-LLVKDONJSA-N 0 3 277.324 1.655 10 5 CDBEHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532138834 393067127 /nfs/dbraw/zinc/06/71/27/393067127.db2.gz IQJYPGVGQRFZBD-ZWNOBZJWSA-N 0 3 292.339 1.402 10 5 CDBEHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532397375 393072925 /nfs/dbraw/zinc/07/29/25/393072925.db2.gz QWTPUNURMBTYQJ-ZANVPECISA-N 0 3 290.323 1.202 10 5 CDBEHN O=[N+]([O-])c1cccc(CNCC[C@H](O)C(F)(F)F)c1 ZINC000349303894 154085024 /nfs/dbraw/zinc/08/50/24/154085024.db2.gz ZJSYULLELQQGED-JTQLQIEISA-N 0 3 278.230 1.998 10 5 CDBEHN CNCc1cc([N+](=O)[O-])ccc1OCC(=O)OC(C)C ZINC000043446033 175048041 /nfs/dbraw/zinc/04/80/41/175048041.db2.gz AMUBXSLWLNTPPV-UHFFFAOYSA-N 0 3 282.296 1.645 10 5 CDBEHN CCN1CCC(Nc2cc([N+](=O)[O-])ccn2)CC1 ZINC000043567944 175067263 /nfs/dbraw/zinc/06/72/63/175067263.db2.gz OFRYSUHUXHOSRP-UHFFFAOYSA-N 0 3 250.302 1.886 10 5 CDBEHN Cc1cc(N2CC[C@H](NC3CC3)C2=O)ccc1[N+](=O)[O-] ZINC000071036322 176025156 /nfs/dbraw/zinc/02/51/56/176025156.db2.gz HWOKMTUDJWNMON-LBPRGKRZSA-N 0 3 275.308 1.761 10 5 CDBEHN COc1cc(N2C[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000450775063 274096959 /nfs/dbraw/zinc/09/69/59/274096959.db2.gz DRYKOZBJWJDAKF-TVQRCGJNSA-N 0 3 295.314 1.883 10 5 CDBEHN CCC(=O)N(CC)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001668336749 1173397054 /nfs/dbraw/zinc/39/70/54/1173397054.db2.gz FXVSLUXROOIFCZ-UHFFFAOYSA-N 0 3 279.340 1.943 10 5 CDBEHN CCOC[C@H](O)COc1ccc([N+](=O)[O-])cc1CNC ZINC000069275485 520164124 /nfs/dbraw/zinc/16/41/24/520164124.db2.gz XCXXYUOXNZXMMY-LBPRGKRZSA-N 0 3 284.312 1.090 10 5 CDBEHN CC(C)CNCc1nnnn1-c1ccc([N+](=O)[O-])cc1F ZINC000054762631 519748862 /nfs/dbraw/zinc/74/88/62/519748862.db2.gz SKFAUPNYIYQNQF-UHFFFAOYSA-N 0 3 294.290 1.455 10 5 CDBEHN CC(C)[C@H](CN(C)C)NCc1ccc([N+](=O)[O-])o1 ZINC000049198246 519814672 /nfs/dbraw/zinc/81/46/72/519814672.db2.gz GDIKNAFTVCBMQQ-NSHDSACASA-N 0 3 255.318 1.864 10 5 CDBEHN CCN[C@@](C)(C[C@H](C)Oc1ccccc1[N+](=O)[O-])C(N)=O ZINC000068650949 520147770 /nfs/dbraw/zinc/14/77/70/520147770.db2.gz RHOLRTDNIARAKO-HZMBPMFUSA-N 0 3 295.339 1.606 10 5 CDBEHN CCOC(=O)[C@H](C)Oc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516114 521215654 /nfs/dbraw/zinc/21/56/54/521215654.db2.gz UDAZJNZZGVVJKY-QMMMGPOBSA-N 0 3 268.269 1.384 10 5 CDBEHN COCC[C@@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000052792407 521828589 /nfs/dbraw/zinc/82/85/89/521828589.db2.gz FWZHJMLMXLOYFJ-SECBINFHSA-N 0 3 267.285 1.206 10 5 CDBEHN COC(=O)C[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000052926354 523326783 /nfs/dbraw/zinc/32/67/83/523326783.db2.gz MNBNBGDQDHTFEB-VIFPVBQESA-N 0 3 252.270 1.636 10 5 CDBEHN C[C@H]1CNC[C@H](C)N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000069132965 524695764 /nfs/dbraw/zinc/69/57/64/524695764.db2.gz FNWAULLJYMXIIT-QWRGUYRKSA-N 0 3 277.324 1.346 10 5 CDBEHN CC(C)[C@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000762216319 574998158 /nfs/dbraw/zinc/99/81/58/574998158.db2.gz UFGWKXZRFVFKRK-LBPRGKRZSA-N 0 3 280.328 1.306 10 5 CDBEHN CC(COC(=O)Cc1ccc2c(c1)CCO2)[N+](=O)[O-] ZINC000813103887 617342566 /nfs/dbraw/zinc/34/25/66/617342566.db2.gz HTNIPDXHWZSUOV-SECBINFHSA-N 0 3 265.265 1.372 10 5 CDBEHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC000813109466 617345294 /nfs/dbraw/zinc/34/52/94/617345294.db2.gz UAYGPUXQWSVMDA-VHSXEESVSA-N 0 3 281.312 1.985 10 5 CDBEHN CC(COC(=O)CNC(=O)CC1CCCCC1)[N+](=O)[O-] ZINC000813114326 617349037 /nfs/dbraw/zinc/34/90/37/617349037.db2.gz PUEKDMBJQWGFQW-JTQLQIEISA-N 0 3 286.328 1.281 10 5 CDBEHN CN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001640056370 1166990856 /nfs/dbraw/zinc/99/08/56/1166990856.db2.gz HXXMBIIOTFXWGS-LLVKDONJSA-N 0 3 292.339 1.391 10 5 CDBEHN C[C@@H]1C[C@@H](Nc2nn(C)cc2[N+](=O)[O-])CN1C1CC1 ZINC001651638468 1171338889 /nfs/dbraw/zinc/33/88/89/1171338889.db2.gz GHAVVQAYKOOEKR-RKDXNWHRSA-N 0 3 265.317 1.365 10 5 CDBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)C(F)F ZINC001699225718 1176151763 /nfs/dbraw/zinc/15/17/63/1176151763.db2.gz IVXHXMAHNRZBRV-OWOJBTEDSA-N 0 3 299.277 1.622 10 5 CDBEHN CCC(=O)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001707074088 1177940024 /nfs/dbraw/zinc/94/00/24/1177940024.db2.gz NQSRWLDVQTXHEH-AULYBMBSSA-N 0 3 291.351 1.989 10 5 CDBEHN CC(COC(=O)CCCNC(=O)C(C)(C)C)[N+](=O)[O-] ZINC000813100667 1163804308 /nfs/dbraw/zinc/80/43/08/1163804308.db2.gz VFRJAIDTFVLXMX-SECBINFHSA-N 0 3 274.317 1.137 10 5 CDBEHN COC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])c(F)c1 ZINC000813105645 1163806630 /nfs/dbraw/zinc/80/66/30/1163806630.db2.gz RAIRKGGJPWXSOI-ZETCQYMHSA-N 0 3 285.227 1.434 10 5 CDBEHN CC(COC(=O)c1ccc(OCC(F)F)nc1)[N+](=O)[O-] ZINC000813114779 1163818662 /nfs/dbraw/zinc/81/86/62/1163818662.db2.gz GMJYXMJHVPNMNO-ZETCQYMHSA-N 0 3 290.222 1.548 10 5 CDBEHN C[C@@H](NCC[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000135465747 712727068 /nfs/dbraw/zinc/72/70/68/712727068.db2.gz BNDWEYQAPJBUIH-VVVCHXIZSA-N 0 3 256.327 1.624 10 5 CDBEHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ccc([N+](=O)[O-])cc1 ZINC000826677900 931409173 /nfs/dbraw/zinc/40/91/73/931409173.db2.gz RRFBUXIEWMDUNK-NSHDSACASA-N 0 3 292.339 1.151 10 5 CDBEHN CN(CCO[C@H]1CCOC1)CCc1cccc([N+](=O)[O-])c1 ZINC000930354373 933365708 /nfs/dbraw/zinc/36/57/08/933365708.db2.gz OZEHLAXXEASPGA-HNNXBMFYSA-N 0 3 294.351 1.875 10 5 CDBEHN C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC001544079307 967335886 /nfs/dbraw/zinc/33/58/86/967335886.db2.gz LTNSRCAIKQXIID-UWVGGRQHSA-N 0 3 295.343 1.311 10 5 CDBEHN CC(C)N1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000611525373 346811490 /nfs/dbraw/zinc/81/14/90/346811490.db2.gz QUTCTQGXJRVLTK-UHFFFAOYSA-N 0 3 294.355 1.200 10 5 CDBEHN CN1C[C@H]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000590442075 342546077 /nfs/dbraw/zinc/54/60/77/342546077.db2.gz GEQSVFJYUXKHQG-RNCFNFMXSA-N 0 3 293.298 1.510 10 5 CDBEHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCCN1C ZINC000192531052 361968908 /nfs/dbraw/zinc/96/89/08/361968908.db2.gz ZXQMWZAUECBDDF-JTQLQIEISA-N 0 3 267.333 1.626 10 5 CDBEHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000595048066 342999333 /nfs/dbraw/zinc/99/93/33/342999333.db2.gz VCNKSSISJLXCLG-LPEHRKFASA-N 0 3 293.323 1.518 10 5 CDBEHN O=[N+]([O-])c1cccc(CN2CC[C@@H]3OCCN[C@@H]3C2)c1 ZINC000404065937 349764078 /nfs/dbraw/zinc/76/40/78/349764078.db2.gz BCELETPXQCCTNY-KGLIPLIRSA-N 0 3 277.324 1.158 10 5 CDBEHN N[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[C@H]1F ZINC000596030274 343216685 /nfs/dbraw/zinc/21/66/85/343216685.db2.gz RELZSHMVORJELG-RKDXNWHRSA-N 0 3 291.286 1.414 10 5 CDBEHN Cc1nn(C)c(NC[C@@H]2CCN2C(C)(C)C)c1[N+](=O)[O-] ZINC000596306885 343292992 /nfs/dbraw/zinc/29/29/92/343292992.db2.gz JNCRKYGIETWQBD-JTQLQIEISA-N 0 3 281.360 1.921 10 5 CDBEHN COC(=O)c1cc(NCCN(C)C)cc(C)c1[N+](=O)[O-] ZINC000090998092 342398243 /nfs/dbraw/zinc/39/82/43/342398243.db2.gz ZPZGXTHRHZCIGS-UHFFFAOYSA-N 0 3 281.312 1.663 10 5 CDBEHN CNC1(CN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCC1 ZINC000598635222 343862723 /nfs/dbraw/zinc/86/27/23/343862723.db2.gz WKONWMNDHFKVEY-UHFFFAOYSA-N 0 3 275.312 1.447 10 5 CDBEHN COc1cc(C[NH2+]CC2COC2)c([N+](=O)[O-])cc1[O-] ZINC000599010791 343939473 /nfs/dbraw/zinc/93/94/73/343939473.db2.gz DVZCSEHURVFKKJ-UHFFFAOYSA-N 0 3 268.269 1.045 10 5 CDBEHN O=[N+]([O-])c1cnc(NC[C@@H]2CCN2C2CCCCC2)nc1 ZINC000599126998 343964071 /nfs/dbraw/zinc/96/40/71/343964071.db2.gz LDVRDDORNSHLOD-LBPRGKRZSA-N 0 3 291.355 1.626 10 5 CDBEHN C[C@H](CCN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])nc1 ZINC000351561811 362457253 /nfs/dbraw/zinc/45/72/53/362457253.db2.gz HVOVORNYZWHDNI-GFCCVEGCSA-N 0 3 293.371 1.428 10 5 CDBEHN CN1CCC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000604198886 344865245 /nfs/dbraw/zinc/86/52/45/344865245.db2.gz JEJYETXBBCOQJK-LLVKDONJSA-N 0 3 293.323 1.184 10 5 CDBEHN O=[N+]([O-])c1cncc(Cl)c1OC[C@@H]1CNCCO1 ZINC000302568847 344868262 /nfs/dbraw/zinc/86/82/62/344868262.db2.gz OPBQPMSXEXJUDJ-ZETCQYMHSA-N 0 3 273.676 1.010 10 5 CDBEHN Cc1cc(OC[C@@H]2CNCCO2)c(Cl)cc1[N+](=O)[O-] ZINC000312084599 344879164 /nfs/dbraw/zinc/87/91/64/344879164.db2.gz VRHQBNSCYNXLDA-VIFPVBQESA-N 0 3 286.715 1.924 10 5 CDBEHN CN(C)CCOC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000344409713 362753645 /nfs/dbraw/zinc/75/36/45/362753645.db2.gz AFBNCXMZWUJOCK-UHFFFAOYSA-N 0 3 294.355 1.537 10 5 CDBEHN CCOC(=O)C[C@](C)(N)c1cc([N+](=O)[O-])ccc1F ZINC000584596710 346495575 /nfs/dbraw/zinc/49/55/75/346495575.db2.gz IHQJZDLRABCQPE-LBPRGKRZSA-N 0 3 270.260 1.861 10 5 CDBEHN CN(C)[C@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000612444816 347173428 /nfs/dbraw/zinc/17/34/28/347173428.db2.gz XTXWABUPNPZAOB-JTQLQIEISA-N 0 3 287.323 1.678 10 5 CDBEHN COCCN1CCC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000068910836 349083489 /nfs/dbraw/zinc/08/34/89/349083489.db2.gz ZEKWHKJANRZUKQ-NSHDSACASA-N 0 3 280.328 1.513 10 5 CDBEHN COC(=O)c1ccc([N+](=O)[O-])c(N(C)CCN(C)C)c1 ZINC000136306506 362968799 /nfs/dbraw/zinc/96/87/99/362968799.db2.gz LQIIMYHIGWHAFB-UHFFFAOYSA-N 0 3 281.312 1.379 10 5 CDBEHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000341036134 366208856 /nfs/dbraw/zinc/20/88/56/366208856.db2.gz IVWQVEXYRYTNQL-GHMZBOCLSA-N 0 3 294.355 1.916 10 5 CDBEHN O=[N+]([O-])c1cccnc1NCCCNCc1cccnc1 ZINC000063197184 363397593 /nfs/dbraw/zinc/39/75/93/363397593.db2.gz GTFWNQPELVLMST-UHFFFAOYSA-N 0 3 287.323 1.977 10 5 CDBEHN COc1ccc(CN[C@@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000084087153 357445814 /nfs/dbraw/zinc/44/58/14/357445814.db2.gz YDDOGLFAWKUCQH-LLVKDONJSA-N 0 3 293.323 1.314 10 5 CDBEHN CC1(C)COC[C@@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000451805841 359082256 /nfs/dbraw/zinc/08/22/56/359082256.db2.gz BYSDULCPMXTSLI-ZDUSSCGKSA-N 0 3 280.324 1.988 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000408466935 359813261 /nfs/dbraw/zinc/81/32/61/359813261.db2.gz NHMUIDUBIMQMQQ-RISCZKNCSA-N 0 3 289.335 1.679 10 5 CDBEHN O=[N+]([O-])c1cc(CNCCCn2ccnn2)cs1 ZINC000126539247 375132998 /nfs/dbraw/zinc/13/29/98/375132998.db2.gz XYGZMVRLRZEEER-UHFFFAOYSA-N 0 3 267.314 1.428 10 5 CDBEHN C[C@H]1C[C@H](O)CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000401791529 390417039 /nfs/dbraw/zinc/41/70/39/390417039.db2.gz GJLFOVSKRSQKFL-GWCFXTLKSA-N 0 3 250.298 1.798 10 5 CDBEHN CN(Cc1ccc([N+](=O)[O-])cc1)CC1(CO)CC1 ZINC000190007175 130050732 /nfs/dbraw/zinc/05/07/32/130050732.db2.gz PAMSJLJBWFMWGO-UHFFFAOYSA-N 0 3 250.298 1.799 10 5 CDBEHN COCCNCCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000215519095 140162225 /nfs/dbraw/zinc/16/22/25/140162225.db2.gz QRJKFQAOVITGTE-UHFFFAOYSA-N 0 3 279.300 1.119 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]3COCC[C@H]32)c1 ZINC000362456910 159152643 /nfs/dbraw/zinc/15/26/43/159152643.db2.gz XOGFRFKIYVGDMA-DGCLKSJQSA-N 0 3 280.328 1.292 10 5 CDBEHN CC(C)NCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000037386043 173168677 /nfs/dbraw/zinc/16/86/77/173168677.db2.gz UHNZPKQDPNLECA-UHFFFAOYSA-N 0 3 255.249 1.670 10 5 CDBEHN CC[C@@H](C)NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000037386445 173170081 /nfs/dbraw/zinc/17/00/81/173170081.db2.gz UPDNPJGEEMOWKO-SECBINFHSA-N 0 3 281.312 1.930 10 5 CDBEHN CO[C@H]1CN[C@@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000040630935 174358404 /nfs/dbraw/zinc/35/84/04/174358404.db2.gz AUVWLDAIVOFVNP-GHMZBOCLSA-N 0 3 279.296 1.219 10 5 CDBEHN CNC(=O)[C@@H](NCCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000183671084 279909457 /nfs/dbraw/zinc/90/94/57/279909457.db2.gz GRXOJOXHMYUJKE-ZDUSSCGKSA-N 0 3 295.339 1.334 10 5 CDBEHN COCC[C@@](C)(O)CNCc1ccc([N+](=O)[O-])cc1C ZINC000183477523 323337735 /nfs/dbraw/zinc/33/77/35/323337735.db2.gz FGAPIJUZFJJSJJ-CQSZACIVSA-N 0 3 282.340 1.780 10 5 CDBEHN CC(C)N(CCO)Cc1cc([N+](=O)[O-])ccc1N ZINC000050817914 519649241 /nfs/dbraw/zinc/64/92/41/519649241.db2.gz SNEGHPWBBKZUSE-UHFFFAOYSA-N 0 3 253.302 1.380 10 5 CDBEHN CCN[C@H](COc1cc([N+](=O)[O-])ccc1Cl)C(N)=O ZINC000069508131 520198404 /nfs/dbraw/zinc/19/84/04/520198404.db2.gz VEGRIXDOTWUANU-SECBINFHSA-N 0 3 287.703 1.090 10 5 CDBEHN CC(C)(O)COc1cc(CNC2CC2)ccc1[N+](=O)[O-] ZINC000050517250 519363259 /nfs/dbraw/zinc/36/32/59/519363259.db2.gz MLNZJPJVDSEYGL-UHFFFAOYSA-N 0 3 280.324 1.997 10 5 CDBEHN CC(C)NCc1ccc([N+](=O)[O-])c(O[C@@H]2CCOC2=O)c1 ZINC000050517174 519727154 /nfs/dbraw/zinc/72/71/54/519727154.db2.gz HPBIMYIASSVJGS-GFCCVEGCSA-N 0 3 294.307 1.787 10 5 CDBEHN CCC[C@@H](C)NC(=O)COc1ccc(CN)cc1[N+](=O)[O-] ZINC000049287187 520654409 /nfs/dbraw/zinc/65/44/09/520654409.db2.gz XCNVWCLKYJOIFL-SNVBAGLBSA-N 0 3 295.339 1.737 10 5 CDBEHN CN[C@H](C)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000052395570 522437428 /nfs/dbraw/zinc/43/74/28/522437428.db2.gz FIWKBNRINDNUEO-ZCFIWIBFSA-N 0 3 257.677 1.795 10 5 CDBEHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cc([N+](=O)[O-])ccc1N ZINC000050815300 524341417 /nfs/dbraw/zinc/34/14/17/524341417.db2.gz OJXZPNCGQUADAA-VHSXEESVSA-N 0 3 292.339 1.263 10 5 CDBEHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050815295 524567431 /nfs/dbraw/zinc/56/74/31/524567431.db2.gz FAIDLXVCSOGION-MWLCHTKSSA-N 0 3 292.339 1.263 10 5 CDBEHN Cc1cc(O[C@H](C)C[C@@](C)(N)C(N)=O)ccc1[N+](=O)[O-] ZINC000068651114 525382563 /nfs/dbraw/zinc/38/25/63/525382563.db2.gz ISSWLGSKNKFUOP-NOZJJQNGSA-N 0 3 281.312 1.263 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](CO)C1 ZINC000183311949 525566111 /nfs/dbraw/zinc/56/61/11/525566111.db2.gz HFNVDTZHOKGFAZ-NSHDSACASA-N 0 3 250.298 1.717 10 5 CDBEHN N=C(N)c1ncccc1COc1ccc(F)cc1[N+](=O)[O-] ZINC000061658874 526825876 /nfs/dbraw/zinc/82/58/76/526825876.db2.gz UHMXAAJVOFZMGZ-UHFFFAOYSA-N 0 3 290.254 1.992 10 5 CDBEHN CC(=O)c1cccc(OCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112524 617346942 /nfs/dbraw/zinc/34/69/42/617346942.db2.gz HSLWODPOVTUBEI-SECBINFHSA-N 0 3 281.264 1.476 10 5 CDBEHN Cc1c(CC(=O)N[C@H]2CCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000928432699 619044385 /nfs/dbraw/zinc/04/43/85/619044385.db2.gz GFDOBYIAGTWWEY-YPMHNXCESA-N 0 3 291.351 1.655 10 5 CDBEHN CC(C)Oc1cc(C(=O)OCC(C)[N+](=O)[O-])ccn1 ZINC000813109174 1163816072 /nfs/dbraw/zinc/81/60/72/1163816072.db2.gz GPJFDEYHWLFDQF-SECBINFHSA-N 0 3 268.269 1.691 10 5 CDBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C1CC1 ZINC001732756707 1183110961 /nfs/dbraw/zinc/11/09/61/1183110961.db2.gz HYDYQNNZBJATPI-UHFFFAOYSA-N 0 3 291.351 1.943 10 5 CDBEHN CCC(=O)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001732815108 1183136329 /nfs/dbraw/zinc/13/63/29/1183136329.db2.gz ALVXHLNEKCAWOQ-ARJAWSKDSA-N 0 3 277.324 1.767 10 5 CDBEHN CC(COC(=O)c1cnc(C2CC2)s1)[N+](=O)[O-] ZINC000813110305 1163816598 /nfs/dbraw/zinc/81/65/98/1163816598.db2.gz WXUCSOOBPARFPU-ZCFIWIBFSA-N 0 3 256.283 1.843 10 5 CDBEHN COc1ccc(CCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813112507 1163816742 /nfs/dbraw/zinc/81/67/42/1163816742.db2.gz RAZGBOVMHUPJAP-JTQLQIEISA-N 0 3 267.281 1.836 10 5 CDBEHN CC(COC(=O)[C@@H]1COc2ccccc2C1)[N+](=O)[O-] ZINC000813108105 1163816922 /nfs/dbraw/zinc/81/69/22/1163816922.db2.gz AGMCBLSXQVOAMV-KOLCDFICSA-N 0 3 265.265 1.446 10 5 CDBEHN CCc1nn(C)c(N2CCN(C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000866112867 1164738100 /nfs/dbraw/zinc/73/81/00/1164738100.db2.gz MMFNFOGXCAYQBN-UHFFFAOYSA-N 0 3 295.387 1.811 10 5 CDBEHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1[C@@H]1CCOC1 ZINC000860776671 929198835 /nfs/dbraw/zinc/19/88/35/929198835.db2.gz GODHMNHKDGHACW-ZYHUDNBSSA-N 0 3 296.323 1.888 10 5 CDBEHN C[C@@H]1CC[C@H](O)CN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000817287241 930471061 /nfs/dbraw/zinc/47/10/61/930471061.db2.gz DLTRMNVSBZUDFU-SWHYSGLUSA-N 0 3 280.324 1.473 10 5 CDBEHN NC(=O)[C@H]1C[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000846046691 931964974 /nfs/dbraw/zinc/96/49/74/931964974.db2.gz MYPYIQOIQBNGAA-WKFQBHICSA-N 0 3 283.715 1.602 10 5 CDBEHN O=[N+]([O-])c1ccc(Cl)c(OC[C@@H]2CNCCO2)c1 ZINC000080760567 934719391 /nfs/dbraw/zinc/71/93/91/934719391.db2.gz OLENCOGWZPNXIT-VIFPVBQESA-N 0 3 272.688 1.615 10 5 CDBEHN CO[C@H]1C[C@@H](N(C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796216684 934984392 /nfs/dbraw/zinc/98/43/92/934984392.db2.gz IGCNVCNZKHHDDK-MJBXVCDLSA-N 0 3 280.324 1.737 10 5 CDBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCOCCCO ZINC001321904785 960012654 /nfs/dbraw/zinc/01/26/54/960012654.db2.gz MOKMQTRKCWMVRA-GFCCVEGCSA-N 0 3 282.340 1.953 10 5 CDBEHN O=C1O[C@@H](CNCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000848577841 969182822 /nfs/dbraw/zinc/18/28/22/969182822.db2.gz KSVMHFAKMAVLCS-ZDUSSCGKSA-N 0 3 291.307 1.668 10 5 CDBEHN C[C@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)N(C)C ZINC000601104261 342466191 /nfs/dbraw/zinc/46/61/91/342466191.db2.gz QYCDJEOAFHXFHP-ZCFIWIBFSA-N 0 3 295.265 1.709 10 5 CDBEHN CN1C[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590011089 342519607 /nfs/dbraw/zinc/51/96/07/342519607.db2.gz HKUMDWYKWZKUJT-GXTWGEPZSA-N 0 3 261.325 1.731 10 5 CDBEHN Cc1ccc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590047164 342521088 /nfs/dbraw/zinc/52/10/88/342521088.db2.gz WJQNXCBKYAWOTR-OCCSQVGLSA-N 0 3 289.335 1.679 10 5 CDBEHN C[C@@H](CO)[C@H](C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000273959310 365529628 /nfs/dbraw/zinc/52/96/28/365529628.db2.gz GFQOQABADNHREY-QWRGUYRKSA-N 0 3 295.339 1.164 10 5 CDBEHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CCC[C@H]1O)OCCO2 ZINC000590967543 342611931 /nfs/dbraw/zinc/61/19/31/342611931.db2.gz BWXXZEVEHPEPAZ-ZYHUDNBSSA-N 0 3 294.307 1.369 10 5 CDBEHN COC(=O)CC1(NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593059040 342760693 /nfs/dbraw/zinc/76/06/93/342760693.db2.gz VUWGCTDBWQNXRE-UHFFFAOYSA-N 0 3 264.281 1.780 10 5 CDBEHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCOC1 ZINC000593068714 342762122 /nfs/dbraw/zinc/76/21/22/342762122.db2.gz GUGOLKLETKIOIY-CYBMUJFWSA-N 0 3 295.339 1.257 10 5 CDBEHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000136960216 361879660 /nfs/dbraw/zinc/87/96/60/361879660.db2.gz QFRXOCJXAFAZLI-ZDUSSCGKSA-N 0 3 250.298 1.970 10 5 CDBEHN CO[C@](C)(CO)CNCc1cccc([N+](=O)[O-])c1 ZINC000594508556 342914844 /nfs/dbraw/zinc/91/48/44/342914844.db2.gz CWXAOBPYJVSTEP-LBPRGKRZSA-N 0 3 254.286 1.082 10 5 CDBEHN O=[N+]([O-])c1ccc(CN2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000595609614 343108256 /nfs/dbraw/zinc/10/82/56/343108256.db2.gz ZLDVSLHSVMFDED-ZDUSSCGKSA-N 0 3 287.323 1.708 10 5 CDBEHN CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CCN(C)C1 ZINC000596453826 343324470 /nfs/dbraw/zinc/32/44/70/343324470.db2.gz OKFIAEGJOONMNE-VIFPVBQESA-N 0 3 266.301 1.089 10 5 CDBEHN CN(C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000142260400 282263911 /nfs/dbraw/zinc/26/39/11/282263911.db2.gz CBIJDJSKHAIETA-LBPRGKRZSA-N 0 3 263.297 1.371 10 5 CDBEHN C[C@H](N[C@H]1C[C@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599070962 343948927 /nfs/dbraw/zinc/94/89/27/343948927.db2.gz NNQFDOHLFBWEKS-LSJOCFKGSA-N 0 3 263.297 1.509 10 5 CDBEHN C[C@H](C(=O)NC[C@@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000515401158 362311502 /nfs/dbraw/zinc/31/15/02/362311502.db2.gz MTTUSKHDRHQTPB-FZMZJTMJSA-N 0 3 291.351 1.909 10 5 CDBEHN O=[N+]([O-])c1cnn(CCN2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000599553689 344081449 /nfs/dbraw/zinc/08/14/49/344081449.db2.gz YRQVOJGARPFBOL-NEPJUHHUSA-N 0 3 282.369 1.761 10 5 CDBEHN O=[N+]([O-])c1ccc(CN2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1 ZINC000599680837 344117814 /nfs/dbraw/zinc/11/78/14/344117814.db2.gz HRFMTFNNWLPTQY-IACUBPJLSA-N 0 3 262.309 1.940 10 5 CDBEHN CN(CCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])nc1 ZINC000344424581 362767422 /nfs/dbraw/zinc/76/74/22/362767422.db2.gz USRZVBKJEDKHGH-UHFFFAOYSA-N 0 3 293.371 1.064 10 5 CDBEHN Cc1cc([N+](=O)[O-])ccc1CNC1(CCO)CCOCC1 ZINC000612578654 347214122 /nfs/dbraw/zinc/21/41/22/347214122.db2.gz BXESMQJERDMPPM-UHFFFAOYSA-N 0 3 294.351 1.924 10 5 CDBEHN NC(C(=O)NCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000566169320 357428110 /nfs/dbraw/zinc/42/81/10/357428110.db2.gz CJSHVVSDPHIFSI-QMMMGPOBSA-N 0 3 277.202 1.101 10 5 CDBEHN CO[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1C ZINC000189252851 357988860 /nfs/dbraw/zinc/98/88/60/357988860.db2.gz GXWNADMPSBLCJR-AAEUAGOBSA-N 0 3 295.339 1.113 10 5 CDBEHN Cc1noc(CCN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000294794281 199185798 /nfs/dbraw/zinc/18/57/98/199185798.db2.gz OPQNSFNFXUGTPV-MRVPVSSYSA-N 0 3 291.311 1.762 10 5 CDBEHN COC[C@](C)(CCO)NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000342409199 359047111 /nfs/dbraw/zinc/04/71/11/359047111.db2.gz AJBRJBLCCNFSSW-AWEZNQCLSA-N 0 3 298.339 1.481 10 5 CDBEHN Cc1cc(N(C)[C@@H]2CCN(C3CC3)C2)ncc1[N+](=O)[O-] ZINC000348175113 360556619 /nfs/dbraw/zinc/55/66/19/360556619.db2.gz CZKJLQAZNVXDHJ-GFCCVEGCSA-N 0 3 276.340 1.971 10 5 CDBEHN CCn1nc(C)c([N+](=O)[O-])c1N1CCN2CCC[C@@H]2C1 ZINC000192489435 361685654 /nfs/dbraw/zinc/68/56/54/361685654.db2.gz GVAMUMGCKAPMKL-LLVKDONJSA-N 0 3 279.344 1.404 10 5 CDBEHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@H]2CCCC[C@H]21 ZINC000368257507 372010185 /nfs/dbraw/zinc/01/01/85/372010185.db2.gz GGJWZTKNRADAGQ-DGCLKSJQSA-N 0 3 277.324 1.631 10 5 CDBEHN O=[N+]([O-])c1ccc2nc([S@@](=O)C[C@@H]3CC[NH2+]C3)[n-]c2c1 ZINC000095092128 374868765 /nfs/dbraw/zinc/86/87/65/374868765.db2.gz WOSGLLMSTFRBSM-ZPWHCFADSA-N 0 3 294.336 1.188 10 5 CDBEHN O=[N+]([O-])c1ccc2[n-]c([S@@](=O)C[C@@H]3CC[NH2+]C3)nc2c1 ZINC000095092128 374868772 /nfs/dbraw/zinc/86/87/72/374868772.db2.gz WOSGLLMSTFRBSM-ZPWHCFADSA-N 0 3 294.336 1.188 10 5 CDBEHN C[C@@H](O)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293954534 375518544 /nfs/dbraw/zinc/51/85/44/375518544.db2.gz ZNXGOYDPHIWFLT-BDAKNGLRSA-N 0 3 253.302 1.599 10 5 CDBEHN C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000093344644 378069195 /nfs/dbraw/zinc/06/91/95/378069195.db2.gz WPZOFHDITLHLQR-YPMHNXCESA-N 0 3 280.324 1.676 10 5 CDBEHN C[C@@H]1C[C@H](C)N1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000548754094 392506985 /nfs/dbraw/zinc/50/69/85/392506985.db2.gz AXIHHHSGIBJSPY-NTZNESFSSA-N 0 3 280.324 1.817 10 5 CDBEHN O=[N+]([O-])c1c[nH]c(-c2csc(N3CCNCC3)n2)c1 ZINC000416400861 392721059 /nfs/dbraw/zinc/72/10/59/392721059.db2.gz HVGBRUBFEJHTGC-UHFFFAOYSA-N 0 3 279.325 1.456 10 5 CDBEHN CN1CCCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000269359267 132160248 /nfs/dbraw/zinc/16/02/48/132160248.db2.gz OGPVPVVXRBATCX-UHFFFAOYSA-N 0 3 255.343 1.794 10 5 CDBEHN COC[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000126294544 393190327 /nfs/dbraw/zinc/19/03/27/393190327.db2.gz JLEWGVGIBXEJFA-CQSZACIVSA-N 0 3 282.340 1.813 10 5 CDBEHN CN(C)[C@]1(CNc2ccc([N+](=O)[O-])nc2)CCSC1 ZINC000359012979 158098305 /nfs/dbraw/zinc/09/83/05/158098305.db2.gz HTNICQXNKHBZKB-LBPRGKRZSA-N 0 3 282.369 1.839 10 5 CDBEHN CC[C@@H](C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000037386469 173170285 /nfs/dbraw/zinc/17/02/85/173170285.db2.gz PWYDGNKRKPCUEI-SECBINFHSA-N 0 3 251.286 1.921 10 5 CDBEHN CC[C@H](C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000037395356 173176117 /nfs/dbraw/zinc/17/61/17/173176117.db2.gz WABRKXJYIWVINL-JTQLQIEISA-N 0 3 265.313 1.946 10 5 CDBEHN CCNCc1ccc(OCCCO)c([N+](=O)[O-])c1 ZINC000043443909 175047924 /nfs/dbraw/zinc/04/79/24/175047924.db2.gz QPGAFMQZOPRNNU-UHFFFAOYSA-N 0 3 254.286 1.466 10 5 CDBEHN CN1CCC[C@@H](CNc2cc([N+](=O)[O-])ccn2)C1 ZINC000044537851 175199980 /nfs/dbraw/zinc/19/99/80/175199980.db2.gz WCZXRLQKBKWOOY-JTQLQIEISA-N 0 3 250.302 1.744 10 5 CDBEHN O=C1[C@@H](NC2CC2)CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000071042426 176028778 /nfs/dbraw/zinc/02/87/78/176028778.db2.gz NMRYLSCPPWVLSB-AWEZNQCLSA-N 0 3 289.335 1.838 10 5 CDBEHN O=[N+]([O-])c1ccc(F)cc1CNC[C@@H](O)C1CC1 ZINC000071305422 176115621 /nfs/dbraw/zinc/11/56/21/176115621.db2.gz MXCMENIRKGAFJB-GFCCVEGCSA-N 0 3 254.261 1.594 10 5 CDBEHN C[C@@H]1CN(CCNCc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000071792514 176263313 /nfs/dbraw/zinc/26/33/13/176263313.db2.gz XHEPQRQZKNEKRB-BETUJISGSA-N 0 3 293.367 1.794 10 5 CDBEHN C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)CN1C ZINC000408453180 274368540 /nfs/dbraw/zinc/36/85/40/274368540.db2.gz RBYGRIZGIGVEOB-ZJUUUORDSA-N 0 3 289.339 2.000 10 5 CDBEHN CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274813174 277052696 /nfs/dbraw/zinc/05/26/96/277052696.db2.gz IKFZULODCJGILR-UHFFFAOYSA-N 0 3 275.312 1.613 10 5 CDBEHN CNC(=O)[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])C(C)C ZINC000362965952 290543082 /nfs/dbraw/zinc/54/30/82/290543082.db2.gz HLNJBVKQYMSRIF-QPBFKRLHSA-N 0 3 291.351 1.968 10 5 CDBEHN C[C@@H]1CN2CCC[C@@H]2CN1c1c([N+](=O)[O-])ncn1C ZINC000265015011 297096594 /nfs/dbraw/zinc/09/65/94/297096594.db2.gz XRAJJMPMHKHFPB-NXEZZACHSA-N 0 3 265.317 1.001 10 5 CDBEHN Cc1cnc(N2C[C@@H]3CCCN3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000408240504 482482415 /nfs/dbraw/zinc/48/24/15/482482415.db2.gz NLJKNYCKBYARIX-NEPJUHHUSA-N 0 3 276.340 1.971 10 5 CDBEHN CCC(C)(C)NC(=O)COc1ccc(CN)cc1[N+](=O)[O-] ZINC000049281495 521318823 /nfs/dbraw/zinc/31/88/23/521318823.db2.gz JZBPOBYMXQLQQR-UHFFFAOYSA-N 0 3 295.339 1.737 10 5 CDBEHN CCC(CC)NC(=O)COc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516274 521576500 /nfs/dbraw/zinc/57/65/00/521576500.db2.gz CQYSBZQOWQQPTK-UHFFFAOYSA-N 0 3 295.339 1.737 10 5 CDBEHN CN[C@](C)(C[C@@H](C)Oc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000068650893 522521192 /nfs/dbraw/zinc/52/11/92/522521192.db2.gz ALAMGVRSYWNGRS-NOZJJQNGSA-N 0 3 281.312 1.216 10 5 CDBEHN C[C@H]1CNC[C@H](C)N1C(=O)c1ccccc1[N+](=O)[O-] ZINC000069133094 524698682 /nfs/dbraw/zinc/69/86/82/524698682.db2.gz NELRIZZPQJNCSW-UWVGGRQHSA-N 0 3 263.297 1.417 10 5 CDBEHN C[C@@H](C[C@@](C)(N)C(N)=O)Oc1ccc([N+](=O)[O-])c(F)c1 ZINC000068652460 524852664 /nfs/dbraw/zinc/85/26/64/524852664.db2.gz SKNAMPQFZJQFGD-JVXZTZIISA-N 0 3 285.275 1.094 10 5 CDBEHN O=[N+]([O-])c1c2ncsc2ccc1OC1CNC1 ZINC000062810116 527323375 /nfs/dbraw/zinc/32/33/75/527323375.db2.gz GTSOZMQFHRAIKW-UHFFFAOYSA-N 0 3 251.267 1.555 10 5 CDBEHN COc1ccc(CN[C@@H]2CC[C@H]2O)cc1[N+](=O)[O-] ZINC000424199924 536898585 /nfs/dbraw/zinc/89/85/85/536898585.db2.gz LLJGEKGQIWDNSL-MWLCHTKSSA-N 0 3 252.270 1.216 10 5 CDBEHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)N1CCCCC1 ZINC000762027972 576614068 /nfs/dbraw/zinc/61/40/68/576614068.db2.gz MFOGYUWEIKLJRK-LLVKDONJSA-N 0 3 292.339 1.594 10 5 CDBEHN Cc1noc(C)c1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813110409 617345638 /nfs/dbraw/zinc/34/56/38/617345638.db2.gz AAEASZQTHSVJQN-ZETCQYMHSA-N 0 3 256.258 1.432 10 5 CDBEHN CC(COC(=O)Cc1ccc2c(c1)COC2)[N+](=O)[O-] ZINC000813110949 1163816108 /nfs/dbraw/zinc/81/61/08/1163816108.db2.gz MTWIHDWMKRHJAJ-VIFPVBQESA-N 0 3 265.265 1.468 10 5 CDBEHN CC(COC(=O)CSCC(F)(F)F)[N+](=O)[O-] ZINC000813109512 1163816001 /nfs/dbraw/zinc/81/60/01/1163816001.db2.gz KHENGIFPLPSDDK-RXMQYKEDSA-N 0 3 261.221 1.490 10 5 CDBEHN CC(COC(=O)c1coc(C2CCOCC2)n1)[N+](=O)[O-] ZINC000813113251 1163816237 /nfs/dbraw/zinc/81/62/37/1163816237.db2.gz XZGCOHZYKZQUHP-QMMMGPOBSA-N 0 3 284.268 1.391 10 5 CDBEHN C[C@@H](NC[C@H](O)CC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000872200545 1165392612 /nfs/dbraw/zinc/39/26/12/1165392612.db2.gz IOVHZELOUOYATE-ZWNOBZJWSA-N 0 3 282.340 1.767 10 5 CDBEHN