smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(F)c1[C@@H](C)NCCn1ccc([N+](=O)[O-])n1 ZINC000179891445 356036338 /nfs/dbraw/zinc/03/63/38/356036338.db2.gz OYQOEKCUECYBRJ-SNVBAGLBSA-N 0 1 308.313 2.290 10 5 DEBEMN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2CCCCN2C[C@H]1C ZINC000588820304 357426141 /nfs/dbraw/zinc/42/61/41/357426141.db2.gz VRLIPPHVWNQHQM-YPMHNXCESA-N 0 1 307.398 2.183 10 5 DEBEMN Cc1cc(N2C[C@@H]3COC[C@H](C2)O3)c2cc([N+](=O)[O-])ccc2n1 ZINC000619747450 363870462 /nfs/dbraw/zinc/87/04/62/363870462.db2.gz HNMGVBJZTWXDLG-BETUJISGSA-N 0 1 315.329 2.055 10 5 DEBEMN O=C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCN1 ZINC000093101656 193203347 /nfs/dbraw/zinc/20/33/47/193203347.db2.gz OZRIRKXOYCHNCH-UHFFFAOYSA-N 0 1 315.329 2.177 10 5 DEBEMN CC(C)(C)Nc1ncnc(NCCN2CCCCC2)c1[N+](=O)[O-] ZINC000040581639 183104947 /nfs/dbraw/zinc/10/49/47/183104947.db2.gz WGEBXUDJCLQLFN-UHFFFAOYSA-N 0 1 322.413 2.493 10 5 DEBEMN C[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CCN1C ZINC000110694803 194350560 /nfs/dbraw/zinc/35/05/60/194350560.db2.gz LJSFBKIGMNHNTC-VIFPVBQESA-N 0 1 314.183 2.498 10 5 DEBEMN O=C(NCc1ccc2cc[nH]c2n1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000359437726 147327290 /nfs/dbraw/zinc/32/72/90/147327290.db2.gz YVHWJTHDFVJYKY-UHFFFAOYSA-N 0 1 312.285 2.107 10 5 DEBEMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(O)cc(F)c2)cc1 ZINC000161290221 402380753 /nfs/dbraw/zinc/38/07/53/402380753.db2.gz AUZHJXBMSKJFQM-UHFFFAOYSA-N 0 1 312.278 2.240 10 5 DEBEMN CC[C@@H](O)CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000266156551 402966704 /nfs/dbraw/zinc/96/67/04/402966704.db2.gz VHFNDLJUOGPNAT-GFCCVEGCSA-N 0 1 313.785 2.141 10 5 DEBEMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000408008670 280368881 /nfs/dbraw/zinc/36/88/81/280368881.db2.gz FWBMDBCPNXKQRI-XJKSGUPXSA-N 0 1 306.362 2.427 10 5 DEBEMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247243210 526085591 /nfs/dbraw/zinc/08/55/91/526085591.db2.gz SNJUYALUKWGNNM-HZSPNIEDSA-N 0 1 307.394 2.043 10 5 DEBEMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2O)n1 ZINC000191875927 529154487 /nfs/dbraw/zinc/15/44/87/529154487.db2.gz WGHDKKZVHZUZFS-UHFFFAOYSA-N 0 1 310.697 2.423 10 5 DEBEMN CC[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000336830044 535926680 /nfs/dbraw/zinc/92/66/80/535926680.db2.gz BDYJWOLPKXPVOD-JTQLQIEISA-N 0 1 304.343 2.447 10 5 DEBEMN Cc1cc(N2CCCN(CCO)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000747216194 638418853 /nfs/dbraw/zinc/41/88/53/638418853.db2.gz OIAVXYCSJLFEQD-UHFFFAOYSA-N 0 1 313.785 2.061 10 5 DEBEMN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@H](N2CCOCC2)C1 ZINC000255583935 356337991 /nfs/dbraw/zinc/33/79/91/356337991.db2.gz DWBPSPQLOXQQTD-OICCZTGUSA-N 0 1 317.389 2.015 10 5 DEBEMN COCCN1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000106108937 194188164 /nfs/dbraw/zinc/18/81/64/194188164.db2.gz UCKHHWZYEGTJJL-KGLIPLIRSA-N 0 1 307.394 2.308 10 5 DEBEMN COC(=O)[C@](C)(N)CCCOc1cc(Cl)ccc1[N+](=O)[O-] ZINC000051625843 183831786 /nfs/dbraw/zinc/83/17/86/183831786.db2.gz DHKGLZUFCRVTJH-CYBMUJFWSA-N 0 1 316.741 2.298 10 5 DEBEMN COc1ccc(CN2CCC[C@H]2Cn2ccnc2)cc1[N+](=O)[O-] ZINC000159003837 197318354 /nfs/dbraw/zinc/31/83/54/197318354.db2.gz NAFCLQFRGWAESB-AWEZNQCLSA-N 0 1 316.361 2.465 10 5 DEBEMN CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@H](C)C1 ZINC000187036248 285368599 /nfs/dbraw/zinc/36/85/99/285368599.db2.gz QCJWQPDELHRDGP-BXUZGUMPSA-N 0 1 321.377 2.103 10 5 DEBEMN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN3CCC2CC3)c1 ZINC000188661069 145015580 /nfs/dbraw/zinc/01/55/80/145015580.db2.gz LNIABAXFRZNMPS-UHFFFAOYSA-N 0 1 321.402 2.237 10 5 DEBEMN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(CN(C)C)ccn1 ZINC000176931289 402351978 /nfs/dbraw/zinc/35/19/78/402351978.db2.gz XJLYLMMPFLRZBK-UHFFFAOYSA-N 0 1 315.333 2.007 10 5 DEBEMN O=C(c1ccc([N+](=O)[O-])s1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181382533 402643554 /nfs/dbraw/zinc/64/35/54/402643554.db2.gz XKAAXWRXDWBCTK-MRVPVSSYSA-N 0 1 307.335 2.142 10 5 DEBEMN CCOCCN1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183252983 402750371 /nfs/dbraw/zinc/75/03/71/402750371.db2.gz FAZPEJRHORTDBB-UHFFFAOYSA-N 0 1 307.394 2.057 10 5 DEBEMN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](n2cncn2)C1 ZINC000183330628 402757164 /nfs/dbraw/zinc/75/71/64/402757164.db2.gz YDWSQANARPXCAD-OAHLLOKOSA-N 0 1 301.350 2.332 10 5 DEBEMN O=[N+]([O-])c1cnn(CCN2CCC[C@H](c3nccs3)C2)c1 ZINC000174838471 402759654 /nfs/dbraw/zinc/75/96/54/402759654.db2.gz CSPIXOPGUJBUKI-NSHDSACASA-N 0 1 307.379 2.127 10 5 DEBEMN C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)CN1C ZINC000408068170 405102750 /nfs/dbraw/zinc/10/27/50/405102750.db2.gz HJCXXDRNGSBRBB-MNOVXSKESA-N 0 1 316.361 2.241 10 5 DEBEMN O=[N+]([O-])c1ccc(NC2CCN(Cc3cccnc3)CC2)cn1 ZINC000450484078 405923618 /nfs/dbraw/zinc/92/36/18/405923618.db2.gz KKKRSCDLTIFFCZ-UHFFFAOYSA-N 0 1 313.361 2.461 10 5 DEBEMN COCCN1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000247808507 523858477 /nfs/dbraw/zinc/85/84/77/523858477.db2.gz UCKHHWZYEGTJJL-ZIAGYGMSSA-N 0 1 307.394 2.308 10 5 DEBEMN CC(=CC(=O)N[C@@H](C)c1n[nH]c(C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000804811774 623253729 /nfs/dbraw/zinc/25/37/29/623253729.db2.gz CJDGZTHRLPAASN-QROTZFDESA-N 0 1 315.333 2.302 10 5 DEBEMN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181395982 199289729 /nfs/dbraw/zinc/28/97/29/199289729.db2.gz AZSIGJVJXYOUBG-CYBMUJFWSA-N 0 1 315.333 2.009 10 5 DEBEMN O=[N+]([O-])c1ccc(N2CCN(C3CC3)CC2)cc1OC(F)F ZINC000118361101 355780132 /nfs/dbraw/zinc/78/01/32/355780132.db2.gz YCTNMKHDMXNOPK-UHFFFAOYSA-N 0 1 313.304 2.481 10 5 DEBEMN Cc1ccc(CN(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000193316055 356223994 /nfs/dbraw/zinc/22/39/94/356223994.db2.gz SGKKPQOYXVDWOJ-ZDUSSCGKSA-N 0 1 320.345 2.368 10 5 DEBEMN CO[C@]1(CNCc2c(Cl)cccc2[N+](=O)[O-])CCOC1 ZINC000160302296 197398975 /nfs/dbraw/zinc/39/89/75/197398975.db2.gz YUKIEDJBOPDROF-ZDUSSCGKSA-N 0 1 300.742 2.143 10 5 DEBEMN COCCN1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000106108938 194188226 /nfs/dbraw/zinc/18/82/26/194188226.db2.gz UCKHHWZYEGTJJL-KBPBESRZSA-N 0 1 307.394 2.308 10 5 DEBEMN O=C(N[C@H](c1ccco1)c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000159191393 197334097 /nfs/dbraw/zinc/33/40/97/197334097.db2.gz YTBLBBGQJPCWAT-ZDUSSCGKSA-N 0 1 312.285 2.430 10 5 DEBEMN CCCc1[nH]nc(C(=O)N2CCO[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000156471805 197115921 /nfs/dbraw/zinc/11/59/21/197115921.db2.gz WBJPCSZBJZZCLU-NEPJUHHUSA-N 0 1 322.365 2.054 10 5 DEBEMN CCCN(C[C@@H]1CCCCO1)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000188434578 145012128 /nfs/dbraw/zinc/01/21/28/145012128.db2.gz GIXPSDQNGMUKJA-NSHDSACASA-N 0 1 324.381 2.302 10 5 DEBEMN CSc1cccc(C(=O)N2CCN3CCC2CC3)c1[N+](=O)[O-] ZINC000188841527 145018502 /nfs/dbraw/zinc/01/85/02/145018502.db2.gz ZHDSKMSANVEUTN-UHFFFAOYSA-N 0 1 321.402 2.237 10 5 DEBEMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000262180543 145268096 /nfs/dbraw/zinc/26/80/96/145268096.db2.gz QAEYWXFGHOGZOZ-ZUZCIYMTSA-N 0 1 308.309 2.421 10 5 DEBEMN CC(C)[C@H](NC[C@H](C)O)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000035744587 401900742 /nfs/dbraw/zinc/90/07/42/401900742.db2.gz IIUZPQBNCHEYPJ-GWCFXTLKSA-N 0 1 320.349 2.312 10 5 DEBEMN Cc1sc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000177043823 402362907 /nfs/dbraw/zinc/36/29/07/402362907.db2.gz YWBOALGYCWDVCA-PSASIEDQSA-N 0 1 309.391 2.320 10 5 DEBEMN COC[C@@H](C)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000162108962 402409583 /nfs/dbraw/zinc/40/95/83/402409583.db2.gz UXVHZECFBGJQAM-MRVPVSSYSA-N 0 1 303.156 2.482 10 5 DEBEMN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCCN(C2CC2)CC1 ZINC000194675214 402810036 /nfs/dbraw/zinc/81/00/36/402810036.db2.gz LOASQXROHUJHHR-UHFFFAOYSA-N 0 1 307.325 2.044 10 5 DEBEMN C[C@H](O)CN1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000247243235 525775521 /nfs/dbraw/zinc/77/55/21/525775521.db2.gz SNJUYALUKWGNNM-IHRRRGAJSA-N 0 1 307.394 2.043 10 5 DEBEMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000247166379 526084205 /nfs/dbraw/zinc/08/42/05/526084205.db2.gz QWDXJCOUNIOPEL-CZUORRHYSA-N 0 1 305.378 2.062 10 5 DEBEMN Cc1ccc([C@@H](C)OC(=O)CCc2nc[nH]n2)cc1[N+](=O)[O-] ZINC000152863121 647292270 /nfs/dbraw/zinc/29/22/70/647292270.db2.gz SBOXGGJUGYYGLJ-SNVBAGLBSA-N 0 1 304.306 2.258 10 5 DEBEMN Cc1ccc([C@@H](C)NC[C@@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000126785224 684157061 /nfs/dbraw/zinc/15/70/61/684157061.db2.gz SVENLFMIMNWPSY-YPMHNXCESA-N 0 1 312.391 2.131 10 5 DEBEMN CC[C@@H](N[C@@H](C)CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000081902089 192337191 /nfs/dbraw/zinc/33/71/91/192337191.db2.gz CRXGHRKBSBDSTO-GXFFZTMASA-N 0 1 300.380 2.069 10 5 DEBEMN COC(=O)[C@@]1(N)CC[C@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000093847802 193317176 /nfs/dbraw/zinc/31/71/76/193317176.db2.gz FQBFBYUFKSKTET-TVQRCGJNSA-N 0 1 314.725 2.050 10 5 DEBEMN Cc1ccnc(Nc2ncnc(N3CCCC3)c2[N+](=O)[O-])c1 ZINC000040588174 183105808 /nfs/dbraw/zinc/10/58/08/183105808.db2.gz SIVVBKMHDANQMR-UHFFFAOYSA-N 0 1 300.322 2.432 10 5 DEBEMN CCOCCN1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000106106104 194185703 /nfs/dbraw/zinc/18/57/03/194185703.db2.gz HMGDMBFWFJARBR-AWEZNQCLSA-N 0 1 307.394 2.310 10 5 DEBEMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000262969195 145314944 /nfs/dbraw/zinc/31/49/44/145314944.db2.gz LQKZKGPDTVRBCT-NXEZZACHSA-N 0 1 318.251 2.290 10 5 DEBEMN CC1(C)CCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000077382475 401812670 /nfs/dbraw/zinc/81/26/70/401812670.db2.gz UQCHVXVQLHJZRE-UHFFFAOYSA-N 0 1 303.362 2.358 10 5 DEBEMN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2[nH]ncc21 ZINC000133454330 401887067 /nfs/dbraw/zinc/88/70/67/401887067.db2.gz RDULICONNQMRFG-ZDUSSCGKSA-N 0 1 314.345 2.097 10 5 DEBEMN CC[C@@H](O)CN1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000118858347 401912944 /nfs/dbraw/zinc/91/29/44/401912944.db2.gz SAQMUYWGKSFBFO-XJKSGUPXSA-N 0 1 307.394 2.044 10 5 DEBEMN CC[C@H](N[C@H]1CCCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000069143131 288088816 /nfs/dbraw/zinc/08/88/16/288088816.db2.gz ZLJRILMURRQOOA-JSGCOSHPSA-N 0 1 312.391 2.213 10 5 DEBEMN O=c1[nH]cnc(Oc2cccc([N+](=O)[O-])c2)c1Br ZINC000165721984 197680028 /nfs/dbraw/zinc/68/00/28/197680028.db2.gz SDRUUSZXOCLGEN-UHFFFAOYSA-N 0 1 312.079 2.233 10 5 DEBEMN CC(C)[C@@H](C)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000383797255 356681214 /nfs/dbraw/zinc/68/12/14/356681214.db2.gz XWAUNEAVHAGVBD-VIFPVBQESA-N 0 1 304.343 2.304 10 5 DEBEMN O=C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1 ZINC000119212365 401933993 /nfs/dbraw/zinc/93/39/93/401933993.db2.gz NICGPADSZKXPFL-UHFFFAOYSA-N 0 1 315.329 2.177 10 5 DEBEMN O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000179341207 402585977 /nfs/dbraw/zinc/58/59/77/402585977.db2.gz KWEIPNYCXFLJOQ-LBPRGKRZSA-N 0 1 301.306 2.080 10 5 DEBEMN CCc1[nH]nc(C(=O)N2CCC(OCC(C)C)CC2)c1[N+](=O)[O-] ZINC000171804080 402623405 /nfs/dbraw/zinc/62/34/05/402623405.db2.gz UZTJQCJLBACHMF-UHFFFAOYSA-N 0 1 324.381 2.158 10 5 DEBEMN O=C(N[C@@H](c1ccccc1)c1ccncc1)c1n[nH]cc1[N+](=O)[O-] ZINC000134240457 196373042 /nfs/dbraw/zinc/37/30/42/196373042.db2.gz WYRCYJCQCATUPO-AWEZNQCLSA-N 0 1 323.312 2.232 10 5 DEBEMN CC(C)[N@H+]1CC[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000514758794 269330187 /nfs/dbraw/zinc/33/01/87/269330187.db2.gz PYDRDMUIIMOIEW-NSHDSACASA-N 0 1 301.350 2.433 10 5 DEBEMN C[C@H](N)c1nc(CC(=O)Nc2ccccc2[N+](=O)[O-])cs1 ZINC000071695697 191008121 /nfs/dbraw/zinc/00/81/21/191008121.db2.gz PSVBQPXLWPJEAD-QMMMGPOBSA-N 0 1 306.347 2.252 10 5 DEBEMN COc1ccc(OCCN2CCS[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000173663876 198238197 /nfs/dbraw/zinc/23/81/97/198238197.db2.gz BQSBCABXAHSISJ-NSHDSACASA-N 0 1 312.391 2.420 10 5 DEBEMN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182128676 199390398 /nfs/dbraw/zinc/39/03/98/199390398.db2.gz OISWXYGWVLJYKW-MWLCHTKSSA-N 0 1 311.769 2.334 10 5 DEBEMN CC(=O)c1ccc(NC[C@H]2CCCCN2CCO)c([N+](=O)[O-])c1 ZINC000450613651 242015831 /nfs/dbraw/zinc/01/58/31/242015831.db2.gz LYYRMGCJDXKWGM-CQSZACIVSA-N 0 1 321.377 2.056 10 5 DEBEMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN2CCC1CC2 ZINC000188860400 145018403 /nfs/dbraw/zinc/01/84/03/145018403.db2.gz IJBZVKPCNQSDIN-UHFFFAOYSA-N 0 1 317.389 2.440 10 5 DEBEMN CCOCCN1CCN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000247810038 145144544 /nfs/dbraw/zinc/14/45/44/145144544.db2.gz UQSUKNKBOARDKK-CQSZACIVSA-N 0 1 307.394 2.137 10 5 DEBEMN C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000123344692 402122807 /nfs/dbraw/zinc/12/28/07/402122807.db2.gz UUHBIWKJIJFDLX-SSDOTTSWSA-N 0 1 310.260 2.130 10 5 DEBEMN C[C@]1(C(N)=O)CCCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000185910393 402388223 /nfs/dbraw/zinc/38/82/23/402388223.db2.gz VFMWNBBXFJXEJD-MRXNPFEDSA-N 0 1 321.377 2.094 10 5 DEBEMN CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000248485565 402592393 /nfs/dbraw/zinc/59/23/93/402592393.db2.gz FBFZHKXJBMVGMR-AAEUAGOBSA-N 0 1 321.377 2.103 10 5 DEBEMN CCc1ccc(C(=O)N2CCCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000174149333 402728504 /nfs/dbraw/zinc/72/85/04/402728504.db2.gz UMHFQZPNAPMEBK-UHFFFAOYSA-N 0 1 317.389 2.468 10 5 DEBEMN CCOc1ccc([N+](=O)[O-])cc1CN1CCN(C2CC2)CC1 ZINC000175134003 402781726 /nfs/dbraw/zinc/78/17/26/402781726.db2.gz FGNYXJSHUIIEDY-UHFFFAOYSA-N 0 1 305.378 2.274 10 5 DEBEMN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](c3nccs3)C2)c1 ZINC000174838461 402759613 /nfs/dbraw/zinc/75/96/13/402759613.db2.gz CSPIXOPGUJBUKI-LLVKDONJSA-N 0 1 307.379 2.127 10 5 DEBEMN CN(C)[C@H](CNc1cccc(F)c1[N+](=O)[O-])c1cnn(C)c1 ZINC000301306299 403613599 /nfs/dbraw/zinc/61/35/99/403613599.db2.gz YRJDSXLMBMCHHZ-CYBMUJFWSA-N 0 1 307.329 2.182 10 5 DEBEMN Cc1cc(C[C@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n[nH]1 ZINC000488970794 406365822 /nfs/dbraw/zinc/36/58/22/406365822.db2.gz RVNUDWASXZEDCP-QMMMGPOBSA-N 0 1 306.297 2.126 10 5 DEBEMN COc1cc(N2CCN(CC3CC3)CC2)c([N+](=O)[O-])cc1F ZINC000268245265 274096517 /nfs/dbraw/zinc/09/65/17/274096517.db2.gz VZOZZKHCSOVKJP-UHFFFAOYSA-N 0 1 309.341 2.275 10 5 DEBEMN COc1cc(O)c2c(c1)oc1c(cc(OC)c(O)c1OC)c2=O ZINC000014649050 277385922 /nfs/dbraw/zinc/38/59/22/277385922.db2.gz IDZNVJWQZDSPIX-UHFFFAOYSA-N 0 1 318.281 2.383 10 5 biogenic,in-vitro DEBEMN COCCOC[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000174115030 646791224 /nfs/dbraw/zinc/79/12/24/646791224.db2.gz OKYYZJJQYNNLGS-GFCCVEGCSA-N 0 1 312.341 2.219 10 5 DEBEMN CC(C)CN1CCO[C@@H](COC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000248262055 685156078 /nfs/dbraw/zinc/15/60/78/685156078.db2.gz WNNDGAJGPMJNLW-OAHLLOKOSA-N 0 1 322.361 2.108 10 5 DEBEMN Cc1cc([N+](=O)[O-])ccc1CN1CCC(N2CCCC2=O)CC1 ZINC000183329572 199576608 /nfs/dbraw/zinc/57/66/08/199576608.db2.gz LYRXIEOJLXGTFC-UHFFFAOYSA-N 0 1 317.389 2.490 10 5 DEBEMN CCOC(=O)CCCNCc1cc([N+](=O)[O-])c(F)cc1F ZINC000081545358 192287573 /nfs/dbraw/zinc/28/75/73/192287573.db2.gz FHVWBRXVOXOCQP-UHFFFAOYSA-N 0 1 302.277 2.306 10 5 DEBEMN 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ZINC000374982712 148312197 /nfs/dbraw/zinc/31/21/97/148312197.db2.gz UMLLSJOSQJFTDW-ZDUSSCGKSA-N 0 1 321.377 2.343 10 5 DEBEMN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN2CCCC[C@H]2C1 ZINC000051536334 402034705 /nfs/dbraw/zinc/03/47/05/402034705.db2.gz KEQBZMZRGGMUDF-AWEZNQCLSA-N 0 1 304.350 2.297 10 5 DEBEMN CC[C@@H](NC(=O)N[C@@H](C)c1nnc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000183213777 402747343 /nfs/dbraw/zinc/74/73/43/402747343.db2.gz YOYNIQOWRSKPEY-JOYOIKCWSA-N 0 1 318.337 2.224 10 5 DEBEMN COc1cc(N2CCN3CCCC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000268118036 403050614 /nfs/dbraw/zinc/05/06/14/403050614.db2.gz ANTVJRQYPVSIHZ-NSHDSACASA-N 0 1 309.341 2.417 10 5 DEBEMN Cc1cc(NC[C@H](c2cnn(C)c2)N(C)C)ccc1[N+](=O)[O-] ZINC000301288711 403611304 /nfs/dbraw/zinc/61/13/04/403611304.db2.gz NZNASYBKBQQSNW-OAHLLOKOSA-N 0 1 303.366 2.352 10 5 DEBEMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000408068172 405103226 /nfs/dbraw/zinc/10/32/26/405103226.db2.gz HJCXXDRNGSBRBB-WDEREUQCSA-N 0 1 316.361 2.241 10 5 DEBEMN Cc1[nH]nc(C(=O)N2CCO[C@@H](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000408209236 405140041 /nfs/dbraw/zinc/14/00/41/405140041.db2.gz ZJCNJTSSDNFHCE-GFCCVEGCSA-N 0 1 322.365 2.048 10 5 DEBEMN C[C@@H]1CN(C[C@@H]2CCCN2c2ccc([N+](=O)[O-])nc2)C[C@H](C)O1 ZINC000450457322 405908058 /nfs/dbraw/zinc/90/80/58/405908058.db2.gz RPRITGBZEXAZKL-GUTXKFCHSA-N 0 1 320.393 2.068 10 5 DEBEMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]3COCC[C@H]32)c1[N+](=O)[O-] ZINC000408003075 278000130 /nfs/dbraw/zinc/00/01/30/278000130.db2.gz IEYRUUVNZZXPJS-GHMZBOCLSA-N 0 1 322.365 2.082 10 5 DEBEMN CC(=CC(=O)NCc1cc(C)[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC000752387888 639179666 /nfs/dbraw/zinc/17/96/66/639179666.db2.gz VAFYCGXLBNBVCW-YFHOEESVSA-N 0 1 300.318 2.346 10 5 DEBEMN CCN1CC[C@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000712536422 792200281 /nfs/dbraw/zinc/20/02/81/792200281.db2.gz SEKDMOVVUIVTDO-VIFPVBQESA-N 0 1 315.171 2.258 10 5 DEBEMN CC(C)NCc1ncnn1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000088629025 185260405 /nfs/dbraw/zinc/26/04/05/185260405.db2.gz RDPFDLMGNVZVRI-UHFFFAOYSA-N 0 1 309.757 2.386 10 5 DEBEMN CCOC(=O)c1nc(C)[nH]c1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000610109248 361359757 /nfs/dbraw/zinc/35/97/57/361359757.db2.gz LPILRQVVWRAJDB-UHFFFAOYSA-N 0 1 324.318 2.117 10 5 DEBEMN Cc1cc(C)n(-c2ncnc(Nc3ccccn3)c2[N+](=O)[O-])n1 ZINC000040646957 183113549 /nfs/dbraw/zinc/11/35/49/183113549.db2.gz ZIDJZMHYHXZEOI-UHFFFAOYSA-N 0 1 311.305 2.326 10 5 DEBEMN CCCc1[nH]nc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000156471922 197116218 /nfs/dbraw/zinc/11/62/18/197116218.db2.gz WBJPCSZBJZZCLU-VXGBXAGGSA-N 0 1 322.365 2.054 10 5 DEBEMN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCc2[nH]ncc21 ZINC000133454130 401887155 /nfs/dbraw/zinc/88/71/55/401887155.db2.gz RDULICONNQMRFG-CYBMUJFWSA-N 0 1 314.345 2.097 10 5 DEBEMN CC[C@H](O)CN1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000118858346 401913098 /nfs/dbraw/zinc/91/30/98/401913098.db2.gz SAQMUYWGKSFBFO-BBRMVZONSA-N 0 1 307.394 2.044 10 5 DEBEMN CCCC(=O)NC1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000101563571 402149156 /nfs/dbraw/zinc/14/91/56/402149156.db2.gz ZNIAKVLZYJCKKI-CQSZACIVSA-N 0 1 305.378 2.476 10 5 DEBEMN CCc1[nH]nc(C(=O)N(CC)[C@H](C)c2cccnc2)c1[N+](=O)[O-] ZINC000192582124 402738587 /nfs/dbraw/zinc/73/85/87/402738587.db2.gz YIUUBDISPJKTJF-SNVBAGLBSA-N 0 1 317.349 2.499 10 5 DEBEMN CNc1ccc(C(=O)Nc2nc(C3CCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000572813354 406740275 /nfs/dbraw/zinc/74/02/75/406740275.db2.gz JZBKHZSVQNJFIW-UHFFFAOYSA-N 0 1 316.321 2.274 10 5 DEBEMN CNc1ccc(C(=O)Nc2n[nH]c(C3CCC3)n2)cc1[N+](=O)[O-] ZINC000572813354 406740280 /nfs/dbraw/zinc/74/02/80/406740280.db2.gz JZBKHZSVQNJFIW-UHFFFAOYSA-N 0 1 316.321 2.274 10 5 DEBEMN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(CC2CC2)CC1 ZINC000299592040 229240692 /nfs/dbraw/zinc/24/06/92/229240692.db2.gz FSVQYGLLIGRBSW-UHFFFAOYSA-N 0 1 303.362 2.071 10 5 DEBEMN CC(C)(C)OC(=O)N1CCNC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000095752519 277189130 /nfs/dbraw/zinc/18/91/30/277189130.db2.gz 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C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(N2CCNC2=O)CC1 ZINC000053283343 402054231 /nfs/dbraw/zinc/05/42/31/402054231.db2.gz CDLKWVSFURIFGH-LBPRGKRZSA-N 0 1 318.377 2.145 10 5 DEBEMN COc1ccc(OCCN2CCOCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000378506101 404985418 /nfs/dbraw/zinc/98/54/18/404985418.db2.gz QULNNUGHTLEFJP-GFCCVEGCSA-N 0 1 310.350 2.093 10 5 DEBEMN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000577609403 405478241 /nfs/dbraw/zinc/47/82/41/405478241.db2.gz RUYVTLJLNGVFIX-XEGUGMAKSA-N 0 1 320.345 2.074 10 5 DEBEMN Cc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1 ZINC000131830439 196202878 /nfs/dbraw/zinc/20/28/78/196202878.db2.gz VIQFFIJJDNDLQM-UHFFFAOYSA-N 0 1 307.331 2.286 10 5 DEBEMN CC(=CC(=O)NCc1cn[nH]c1C)c1ccc([N+](=O)[O-])cc1 ZINC000751502974 639087973 /nfs/dbraw/zinc/08/79/73/639087973.db2.gz UIHYSMHWTBORCA-JXMROGBWSA-N 0 1 300.318 2.346 10 5 DEBEMN CC(C)c1ccc(CN2CCN(C[C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000188720548 200294917 /nfs/dbraw/zinc/29/49/17/200294917.db2.gz 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CCOCCN1CCN(Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000247805163 145143974 /nfs/dbraw/zinc/14/39/74/145143974.db2.gz SKDGRCTUWPBMHG-CQSZACIVSA-N 0 1 321.421 2.446 10 5 DEBEMN COCC[C@H](COC)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000336835832 145399391 /nfs/dbraw/zinc/39/93/91/145399391.db2.gz VKCLXTNKEASJMD-LLVKDONJSA-N 0 1 302.758 2.389 10 5 DEBEMN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000371559094 148116567 /nfs/dbraw/zinc/11/65/67/148116567.db2.gz FJYLDHKECPJRPY-UHFFFAOYSA-N 0 1 324.300 2.214 10 5 DEBEMN CC[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000129925967 401811841 /nfs/dbraw/zinc/81/18/41/401811841.db2.gz YVVJUCUWFSWEOH-GFCCVEGCSA-N 0 1 316.361 2.290 10 5 DEBEMN Cn1cc([C@H]2CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)cn1 ZINC000116317136 401849398 /nfs/dbraw/zinc/84/93/98/401849398.db2.gz JAYOYOTXUVOZHF-NSHDSACASA-N 0 1 304.325 2.457 10 5 DEBEMN COc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123178514 402114300 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Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000123173801 402114229 /nfs/dbraw/zinc/11/42/29/402114229.db2.gz XLBGSSZHNSFBRM-OCCSQVGLSA-N 0 1 305.378 2.458 10 5 DEBEMN Cc1c(CC(=O)N2CCN3CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000178637127 402520189 /nfs/dbraw/zinc/52/01/89/402520189.db2.gz WCDLJWUKMNXHIV-OAHLLOKOSA-N 0 1 317.389 2.142 10 5 DEBEMN CCc1[nH]nc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000171671132 402607765 /nfs/dbraw/zinc/60/77/65/402607765.db2.gz SZGJICACVQSNFP-SSDOTTSWSA-N 0 1 320.271 2.295 10 5 DEBEMN COc1cc(N2CCN(C3CCC3)CC2)c([N+](=O)[O-])cc1F ZINC000268146039 403054340 /nfs/dbraw/zinc/05/43/40/403054340.db2.gz DKGHZXQXLCRREI-UHFFFAOYSA-N 0 1 309.341 2.417 10 5 DEBEMN COC(=O)C=Cc1ccc(N[C@H](C)c2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000301908132 403699388 /nfs/dbraw/zinc/69/93/88/403699388.db2.gz AGQOXSCZAUCGHK-OTQAPUNGSA-N 0 1 317.305 2.072 10 5 DEBEMN CCOC(=O)c1nc(C)[nH]c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000524836550 406463802 /nfs/dbraw/zinc/46/38/02/406463802.db2.gz XRBAIRLKHGGSCM-UHFFFAOYSA-N 0 1 318.289 2.055 10 5 DEBEMN CC(=O)c1ccc(N2CCC[C@H](c3nc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000374032670 277111023 /nfs/dbraw/zinc/11/10/23/277111023.db2.gz NWRGJTXDXARVLU-LBPRGKRZSA-N 0 1 315.333 2.300 10 5 DEBEMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]3COCC[C@@H]32)c1[N+](=O)[O-] ZINC000408003078 278000125 /nfs/dbraw/zinc/00/01/25/278000125.db2.gz IEYRUUVNZZXPJS-MNOVXSKESA-N 0 1 322.365 2.082 10 5 DEBEMN CCCCc1nnc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])s1 ZINC000191458421 529052916 /nfs/dbraw/zinc/05/29/16/529052916.db2.gz CIIOKTZBUPCXKD-UHFFFAOYSA-N 0 1 324.366 2.258 10 5 DEBEMN O=[N+]([O-])c1ccc(Cl)cc1Cn1cc(CNC2CC2)nn1 ZINC000093634338 624186946 /nfs/dbraw/zinc/18/69/46/624186946.db2.gz IAILPIOZJSSVLV-UHFFFAOYSA-N 0 1 307.741 2.140 10 5 DEBEMN N[C@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000081942792 192344566 /nfs/dbraw/zinc/34/45/66/192344566.db2.gz OPORWDYDNZCCPN-GFCCVEGCSA-N 0 1 306.343 2.069 10 5 DEBEMN CNCc1cn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)nn1 ZINC000090300020 185290064 /nfs/dbraw/zinc/29/00/64/185290064.db2.gz ZOPRWAQCDMPSLY-UHFFFAOYSA-N 0 1 302.121 2.202 10 5 DEBEMN C[C@@H](N)c1nc(CC(=O)Nc2cccc([N+](=O)[O-])c2)cs1 ZINC000071695715 191008679 /nfs/dbraw/zinc/00/86/79/191008679.db2.gz IPFIUELNOCBPFP-MRVPVSSYSA-N 0 1 306.347 2.252 10 5 DEBEMN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@H](N2CCOCC2)C1 ZINC000255583931 356338167 /nfs/dbraw/zinc/33/81/67/356338167.db2.gz DWBPSPQLOXQQTD-IMMZDGJCSA-N 0 1 317.389 2.015 10 5 DEBEMN CC1=CCN(CCNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000358192240 133126977 /nfs/dbraw/zinc/12/69/77/133126977.db2.gz PJLYEMGAMGSMCD-UHFFFAOYSA-N 0 1 318.377 2.046 10 5 DEBEMN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000248873211 145171546 /nfs/dbraw/zinc/17/15/46/145171546.db2.gz VKWTVDAWCCDOAO-IMJJTQAJSA-N 0 1 318.373 2.411 10 5 DEBEMN COc1cccc(NCCCCN2CCOCC2)c1[N+](=O)[O-] ZINC000185184230 402331699 /nfs/dbraw/zinc/33/16/99/402331699.db2.gz MAXFKNAKXKCQET-UHFFFAOYSA-N 0 1 309.366 2.128 10 5 DEBEMN CN(C)[C@H](CNc1ccc(F)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000301268128 403608168 /nfs/dbraw/zinc/60/81/68/403608168.db2.gz GANVALDIUXIIHF-CQSZACIVSA-N 0 1 307.329 2.182 10 5 DEBEMN CNc1ccc(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1[N+](=O)[O-] ZINC000531760663 406004028 /nfs/dbraw/zinc/00/40/28/406004028.db2.gz LAZOADOIIUUERJ-SECBINFHSA-N 0 1 317.349 2.029 10 5 DEBEMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(O)c(Cl)c2)n1 ZINC000191866823 529154337 /nfs/dbraw/zinc/15/43/37/529154337.db2.gz GRGLCQYRVSCXOE-UHFFFAOYSA-N 0 1 310.697 2.423 10 5 DEBEMN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000153717222 282173405 /nfs/dbraw/zinc/17/34/05/282173405.db2.gz UOTNWTYMNHCAOG-OAHLLOKOSA-N 0 1 305.378 2.315 10 5 DEBEMN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000153717222 282173407 /nfs/dbraw/zinc/17/34/07/282173407.db2.gz UOTNWTYMNHCAOG-OAHLLOKOSA-N 0 1 305.378 2.315 10 5 DEBEMN C[C@H](NCC(C)(C)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000093520341 193263092 /nfs/dbraw/zinc/26/30/92/193263092.db2.gz SRTADNQPZWZVMW-JTQLQIEISA-N 0 1 300.380 2.069 10 5 DEBEMN CCN1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040690997 183118763 /nfs/dbraw/zinc/11/87/63/183118763.db2.gz KHUMDYFRBNQGJT-SNVBAGLBSA-N 0 1 311.769 2.462 10 5 DEBEMN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042428656 183269357 /nfs/dbraw/zinc/26/93/57/183269357.db2.gz KKUBJRAGWWGARQ-VHSXEESVSA-N 0 1 311.769 2.334 10 5 DEBEMN CCCN[C@H](c1csc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000043301503 183352319 /nfs/dbraw/zinc/35/23/19/183352319.db2.gz DTJSGBMNKMPBFY-CABZTGNLSA-N 0 1 318.420 2.132 10 5 DEBEMN Cn1cc([C@@H]2CCCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000246337524 145099581 /nfs/dbraw/zinc/09/95/81/145099581.db2.gz UDHHUSVFONFJJL-JKSUJKDBSA-N 0 1 316.361 2.199 10 5 DEBEMN CC1(C)CCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000077382850 401813620 /nfs/dbraw/zinc/81/36/20/401813620.db2.gz VTGAJJYBGXTGJA-UHFFFAOYSA-N 0 1 303.362 2.358 10 5 DEBEMN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@H](N2CCOCC2)C1 ZINC000120973638 402008917 /nfs/dbraw/zinc/00/89/17/402008917.db2.gz DWBPSPQLOXQQTD-WMHVBEDNSA-N 0 1 317.389 2.015 10 5 DEBEMN Cc1nn(C)c(NCc2nc3cccc(C)c3[nH]2)c1[N+](=O)[O-] ZINC000123211850 402116609 /nfs/dbraw/zinc/11/66/09/402116609.db2.gz YSRHJWGRAUAHBB-UHFFFAOYSA-N 0 1 300.322 2.434 10 5 DEBEMN O=[N+]([O-])c1ccn(CCN2CCC[C@H](c3nccs3)C2)n1 ZINC000176222719 402291809 /nfs/dbraw/zinc/29/18/09/402291809.db2.gz KGIJFNUGOCSOFA-NSHDSACASA-N 0 1 307.379 2.127 10 5 DEBEMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@H](CO)CC(C)C ZINC000185313379 402342937 /nfs/dbraw/zinc/34/29/37/402342937.db2.gz QPJQUWKYQRHQSU-AWEZNQCLSA-N 0 1 323.393 2.181 10 5 DEBEMN Cc1sc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000177043809 402362732 /nfs/dbraw/zinc/36/27/32/402362732.db2.gz YWBOALGYCWDVCA-WPRPVWTQSA-N 0 1 309.391 2.320 10 5 DEBEMN CCO[C@H]1C[C@](CO)(NCc2csc([N+](=O)[O-])c2)C1(C)C ZINC000186580247 402443908 /nfs/dbraw/zinc/44/39/08/402443908.db2.gz XBMAMFGQZOVWPX-SMDDNHRTSA-N 0 1 314.407 2.312 10 5 DEBEMN CCc1[nH]nc(C(=O)N(C)CCc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000171804250 402623535 /nfs/dbraw/zinc/62/35/35/402623535.db2.gz CGSRQEKTVLIXID-UHFFFAOYSA-N 0 1 320.324 2.334 10 5 DEBEMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000272684848 402959938 /nfs/dbraw/zinc/95/99/38/402959938.db2.gz OTALQZSMKOABEM-MLGOLLRUSA-N 0 1 320.345 2.068 10 5 DEBEMN Cc1cc(C[C@@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n[nH]1 ZINC000488970793 406365693 /nfs/dbraw/zinc/36/56/93/406365693.db2.gz RVNUDWASXZEDCP-MRVPVSSYSA-N 0 1 306.297 2.126 10 5 DEBEMN CNc1cc(S(=O)(=O)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000131691892 196191954 /nfs/dbraw/zinc/19/19/54/196191954.db2.gz GGXVOQKSKDSEOT-UHFFFAOYSA-N 0 1 307.331 2.437 10 5 DEBEMN O=C(N[C@H](c1ccccc1)c1ccncc1)c1n[nH]cc1[N+](=O)[O-] ZINC000134240474 196372373 /nfs/dbraw/zinc/37/23/73/196372373.db2.gz WYRCYJCQCATUPO-CQSZACIVSA-N 0 1 323.312 2.232 10 5 DEBEMN CCOCCN1CCN(c2nc(C)ccc2[N+](=O)[O-])C[C@H]1CC ZINC000124706562 276324006 /nfs/dbraw/zinc/32/40/06/276324006.db2.gz KCLWCGQZDYYUGE-CQSZACIVSA-N 0 1 322.409 2.235 10 5 DEBEMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000247166387 526077439 /nfs/dbraw/zinc/07/74/39/526077439.db2.gz QWDXJCOUNIOPEL-XJKSGUPXSA-N 0 1 305.378 2.062 10 5 DEBEMN Cn1cc([C@H]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)cn1 ZINC000172053162 646720076 /nfs/dbraw/zinc/72/00/76/646720076.db2.gz KYNRXLWBQYINNN-NSHDSACASA-N 0 1 304.325 2.457 10 5 DEBEMN Cn1cc([C@@H]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)cn1 ZINC000172053161 646720179 /nfs/dbraw/zinc/72/01/79/646720179.db2.gz KYNRXLWBQYINNN-LLVKDONJSA-N 0 1 304.325 2.457 10 5 DEBEMN CC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000132892494 684214622 /nfs/dbraw/zinc/21/46/22/684214622.db2.gz YQFWLQJRQWPTQP-JTQLQIEISA-N 0 1 319.277 2.107 10 5 DEBEMN