smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(NC(=O)CN2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000011121330 539525386 /nfs/dbraw/zinc/52/53/86/539525386.db2.gz BTLBHMKIUVMYOF-CQSZACIVSA-N 1 2 373.413 2.209 20 5 FEBDLO NC(=O)c1ccc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000015171210 539613558 /nfs/dbraw/zinc/61/35/58/539613558.db2.gz MFDWVBXSATZSFB-INIZCTEOSA-N 1 2 370.409 2.007 20 5 FEBDLO NC(=O)c1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000015171210 539613562 /nfs/dbraw/zinc/61/35/62/539613562.db2.gz MFDWVBXSATZSFB-INIZCTEOSA-N 1 2 370.409 2.007 20 5 FEBDLO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016565561 539633460 /nfs/dbraw/zinc/63/34/60/539633460.db2.gz URVIWPNYADTKPH-HZPDHXFCSA-N 1 2 360.458 2.412 20 5 FEBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(F)cc1 ZINC000023778248 539720564 /nfs/dbraw/zinc/72/05/64/539720564.db2.gz HCTOOGBMPSRQPS-OAHLLOKOSA-N 1 2 357.345 2.325 20 5 FEBDLO Cc1noc(C)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000029585894 539857429 /nfs/dbraw/zinc/85/74/29/539857429.db2.gz YWGIGBHAIXMZHY-UHFFFAOYSA-N 1 2 361.358 2.430 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(NC(=O)C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000030285418 539877474 /nfs/dbraw/zinc/87/74/74/539877474.db2.gz VIRKKKVNMDRQOP-CYBMUJFWSA-N 1 2 374.441 2.221 20 5 FEBDLO O=C(COc1ccccc1[N+](=O)[O-])NC1CCN(c2cccc[nH+]2)CC1 ZINC000046616943 540264206 /nfs/dbraw/zinc/26/42/06/540264206.db2.gz CMDPZSUGATVSKO-UHFFFAOYSA-N 1 2 356.382 2.154 20 5 FEBDLO Cc1c([N+](=O)[O-])cc(C(=O)NCc2ccc(N(C)C)[nH+]c2)cc1[N+](=O)[O-] ZINC000047511684 540315805 /nfs/dbraw/zinc/31/58/05/540315805.db2.gz CUBNYATUPAWIKM-UHFFFAOYSA-N 1 2 359.342 2.202 20 5 FEBDLO Cc1cccc2nc(C[NH+]3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cn21 ZINC000051424301 540433786 /nfs/dbraw/zinc/43/37/86/540433786.db2.gz LKOGQZNPSIIVCZ-UHFFFAOYSA-N 1 2 352.398 2.268 20 5 FEBDLO Cc1cccc2[nH+]c(CN3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cn21 ZINC000051424301 540433787 /nfs/dbraw/zinc/43/37/87/540433787.db2.gz LKOGQZNPSIIVCZ-UHFFFAOYSA-N 1 2 352.398 2.268 20 5 FEBDLO Cc1noc(C2CC[NH+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000053640035 540547354 /nfs/dbraw/zinc/54/73/54/540547354.db2.gz HICUEFRTNPFXHZ-UHFFFAOYSA-N 1 2 371.397 2.055 20 5 FEBDLO O=C(NCCc1ccccc1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000054087774 540568129 /nfs/dbraw/zinc/56/81/29/540568129.db2.gz OIHJJGROJVRSAS-UHFFFAOYSA-N 1 2 352.350 2.459 20 5 FEBDLO Cn1cc(C(=O)NCCCCn2cc[nH+]c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054139362 540571085 /nfs/dbraw/zinc/57/10/85/540571085.db2.gz GIBZKRPXZLGMIH-UHFFFAOYSA-N 1 2 368.397 2.402 20 5 FEBDLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000055098359 540627800 /nfs/dbraw/zinc/62/78/00/540627800.db2.gz JUXPGMTYEJLKFM-UHFFFAOYSA-N 1 2 369.425 2.130 20 5 FEBDLO COCCN(CC(F)(F)F)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000062920756 541155430 /nfs/dbraw/zinc/15/54/30/541155430.db2.gz AIISJDYZECHITD-UHFFFAOYSA-N 1 2 372.303 2.431 20 5 FEBDLO COc1cc(C(=O)NCc2cn3c(cccc3C)[nH+]2)c([N+](=O)[O-])cc1OC ZINC000068569917 541610307 /nfs/dbraw/zinc/61/03/07/541610307.db2.gz OWGGQAGAARFOSQ-UHFFFAOYSA-N 1 2 370.365 2.498 20 5 FEBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCCc1cn2ccccc2[nH+]1 ZINC000069046465 541652517 /nfs/dbraw/zinc/65/25/17/541652517.db2.gz DPOLJGCDGSCWDS-UHFFFAOYSA-N 1 2 369.381 2.163 20 5 FEBDLO O=C(COc1ccccc1[N+](=O)[O-])NCc1[nH+]ccn1CC(F)(F)F ZINC000075711227 542199252 /nfs/dbraw/zinc/19/92/52/542199252.db2.gz AZCXQCVIAPSOJD-UHFFFAOYSA-N 1 2 358.276 2.049 20 5 FEBDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)NCc1cccc([N+](=O)[O-])c1 ZINC000076077955 542231362 /nfs/dbraw/zinc/23/13/62/542231362.db2.gz QZEDINMCKYVETF-UHFFFAOYSA-N 1 2 357.292 2.353 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000078564870 542468003 /nfs/dbraw/zinc/46/80/03/542468003.db2.gz BDKSESPLIOHRAB-LJQANCHMSA-N 1 2 369.421 2.327 20 5 FEBDLO CNC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000111264614 543389925 /nfs/dbraw/zinc/38/99/25/543389925.db2.gz IHYTYXMYMBTQKS-MNOVXSKESA-N 1 2 368.821 2.033 20 5 FEBDLO CNC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000111264614 543389926 /nfs/dbraw/zinc/38/99/26/543389926.db2.gz IHYTYXMYMBTQKS-MNOVXSKESA-N 1 2 368.821 2.033 20 5 FEBDLO Cn1c[nH+]cc1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121517276 543695544 /nfs/dbraw/zinc/69/55/44/543695544.db2.gz QOZNVWNVJOMOIJ-UHFFFAOYSA-N 1 2 353.176 2.063 20 5 FEBDLO O=C(NCCCOCC(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000123681604 543776602 /nfs/dbraw/zinc/77/66/02/543776602.db2.gz IYHPXZAJYOSZDC-UHFFFAOYSA-N 1 2 372.303 2.479 20 5 FEBDLO CCNC(=O)C[N@H+](CC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000126798725 543957012 /nfs/dbraw/zinc/95/70/12/543957012.db2.gz SCBUKPTWPLXAKC-SNVBAGLBSA-N 1 2 356.810 2.033 20 5 FEBDLO CCNC(=O)C[N@@H+](CC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000126798725 543957014 /nfs/dbraw/zinc/95/70/14/543957014.db2.gz SCBUKPTWPLXAKC-SNVBAGLBSA-N 1 2 356.810 2.033 20 5 FEBDLO Cc1cccn2cc(CNS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])[nH+]c12 ZINC000128800807 544074000 /nfs/dbraw/zinc/07/40/00/544074000.db2.gz ZSUKZXOZVWHTLV-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO COCC[N@H+](CC(=O)N(C)C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000130414186 544150087 /nfs/dbraw/zinc/15/00/87/544150087.db2.gz JVNXPXHZSGPIPA-UHFFFAOYSA-N 1 2 361.398 2.391 20 5 FEBDLO COCC[N@@H+](CC(=O)N(C)C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000130414186 544150090 /nfs/dbraw/zinc/15/00/90/544150090.db2.gz JVNXPXHZSGPIPA-UHFFFAOYSA-N 1 2 361.398 2.391 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c3cccnc13)C2 ZINC000132303926 544226846 /nfs/dbraw/zinc/22/68/46/544226846.db2.gz CGSBQDPIJYMYPS-LBPRGKRZSA-N 1 2 351.366 2.393 20 5 FEBDLO Cc1cc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc([N+](=O)[O-])c1F ZINC000154289447 544886618 /nfs/dbraw/zinc/88/66/18/544886618.db2.gz KZLOOQPSULTKEA-ZDUSSCGKSA-N 1 2 371.390 2.217 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000155067836 544984314 /nfs/dbraw/zinc/98/43/14/544984314.db2.gz NLMFNKGHSWLZSL-UHFFFAOYSA-N 1 2 362.430 2.032 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000155067836 544984316 /nfs/dbraw/zinc/98/43/16/544984316.db2.gz NLMFNKGHSWLZSL-UHFFFAOYSA-N 1 2 362.430 2.032 20 5 FEBDLO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H](O)C(F)(F)F ZINC000189499548 328151885 /nfs/dbraw/zinc/15/18/85/328151885.db2.gz XKORVWSQOYIRDX-NSHDSACASA-N 1 2 360.292 2.390 20 5 FEBDLO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H](O)C(F)(F)F ZINC000189499548 328151886 /nfs/dbraw/zinc/15/18/86/328151886.db2.gz XKORVWSQOYIRDX-NSHDSACASA-N 1 2 360.292 2.390 20 5 FEBDLO CCS(=O)(=O)CCCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000190307989 328199115 /nfs/dbraw/zinc/19/91/15/328199115.db2.gz YBYJSNAWHFFRIU-UHFFFAOYSA-N 1 2 369.487 2.322 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)cc1C ZINC000193805987 328396335 /nfs/dbraw/zinc/39/63/35/328396335.db2.gz ARBJUJJEBPKBDI-UHFFFAOYSA-N 1 2 355.460 2.174 20 5 FEBDLO CC(C)(CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000017854215 324389247 /nfs/dbraw/zinc/38/92/47/324389247.db2.gz NWPLKCRTCSSLBN-UHFFFAOYSA-N 1 2 362.430 2.010 20 5 FEBDLO C[C@@H]1CN(c2ccc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3)c[nH+]2)CCO1 ZINC000044552737 324561146 /nfs/dbraw/zinc/56/11/46/324561146.db2.gz NKSWJZSPDHFTGE-CQSZACIVSA-N 1 2 370.409 2.074 20 5 FEBDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000058506907 324839072 /nfs/dbraw/zinc/83/90/72/324839072.db2.gz ORUWORSOEFFOFM-UHFFFAOYSA-N 1 2 365.411 2.436 20 5 FEBDLO Cc1nn(CCC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C)c1[N+](=O)[O-] ZINC000119443215 326162774 /nfs/dbraw/zinc/16/27/74/326162774.db2.gz UWRKDAOVCAFJBD-HNNXBMFYSA-N 1 2 374.445 2.013 20 5 FEBDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119489261 326167881 /nfs/dbraw/zinc/16/78/81/326167881.db2.gz WHQWKPGQJKNMOD-LLVKDONJSA-N 1 2 361.851 2.150 20 5 FEBDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119489261 326167882 /nfs/dbraw/zinc/16/78/82/326167882.db2.gz WHQWKPGQJKNMOD-LLVKDONJSA-N 1 2 361.851 2.150 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000121325864 326329648 /nfs/dbraw/zinc/32/96/48/326329648.db2.gz VIWXKVYMXLMMLC-SNVBAGLBSA-N 1 2 370.818 2.046 20 5 FEBDLO C[C@H]1CN(c2ccc(CNC(=O)c3ccc(F)cc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000121325652 326329826 /nfs/dbraw/zinc/32/98/26/326329826.db2.gz PJSSUKQHEJAYSK-LBPRGKRZSA-N 1 2 374.372 2.284 20 5 FEBDLO COc1cc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000121435939 326338928 /nfs/dbraw/zinc/33/89/28/326338928.db2.gz CBIIVBSZPMKQDS-ZDUSSCGKSA-N 1 2 366.399 2.242 20 5 FEBDLO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000136450885 326652867 /nfs/dbraw/zinc/65/28/67/326652867.db2.gz OZRMDRAJURJJDR-UHFFFAOYSA-N 1 2 359.357 2.398 20 5 FEBDLO C[C@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000151254915 326678159 /nfs/dbraw/zinc/67/81/59/326678159.db2.gz WMNXVJJVKDLQES-BBRMVZONSA-N 1 2 364.427 2.204 20 5 FEBDLO O=[N+]([O-])c1ccc(OC[C@H](O)C[NH+]2CCOCC2)c(-c2cccs2)c1 ZINC000153704934 326740442 /nfs/dbraw/zinc/74/04/42/326740442.db2.gz SESFJUXMMPDYJR-CQSZACIVSA-N 1 2 364.423 2.395 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154479518 326761214 /nfs/dbraw/zinc/76/12/14/326761214.db2.gz KJFIVIUDTXMJGG-OAHLLOKOSA-N 1 2 351.403 2.181 20 5 FEBDLO CNC(=O)C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000157799189 326875789 /nfs/dbraw/zinc/87/57/89/326875789.db2.gz UYPOIMMAEIYFFD-UHFFFAOYSA-N 1 2 356.220 2.315 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccncc2)CC1 ZINC000161234445 326992712 /nfs/dbraw/zinc/99/27/12/326992712.db2.gz PEQDHFSBZOGWLY-HNNXBMFYSA-N 1 2 369.425 2.135 20 5 FEBDLO Cc1cc[nH+]c(N2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000161774750 327008808 /nfs/dbraw/zinc/00/88/08/327008808.db2.gz DAKOQBRBKXAPDD-UHFFFAOYSA-N 1 2 366.381 2.137 20 5 FEBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)Cc1[nH+]ccn1C ZINC000162010153 327014642 /nfs/dbraw/zinc/01/46/42/327014642.db2.gz CTVIXUHKEWHMKL-JTQLQIEISA-N 1 2 351.794 2.441 20 5 FEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170865570 327103677 /nfs/dbraw/zinc/10/36/77/327103677.db2.gz VREPOQASCQBJKQ-ZDUSSCGKSA-N 1 2 367.471 2.302 20 5 FEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170865570 327103678 /nfs/dbraw/zinc/10/36/78/327103678.db2.gz VREPOQASCQBJKQ-ZDUSSCGKSA-N 1 2 367.471 2.302 20 5 FEBDLO CC1(C)C[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000172115709 327181834 /nfs/dbraw/zinc/18/18/34/327181834.db2.gz MELCNZKBLKYCSP-UHFFFAOYSA-N 1 2 355.822 2.018 20 5 FEBDLO CC1(C)C[N@@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000172115709 327181835 /nfs/dbraw/zinc/18/18/35/327181835.db2.gz MELCNZKBLKYCSP-UHFFFAOYSA-N 1 2 355.822 2.018 20 5 FEBDLO Cc1cc(NC(=O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n(C)n1 ZINC000174245912 327315246 /nfs/dbraw/zinc/31/52/46/327315246.db2.gz IFVDHEDSGRTWMM-UHFFFAOYSA-N 1 2 373.413 2.119 20 5 FEBDLO C[C@H](N1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000178734629 327603195 /nfs/dbraw/zinc/60/31/95/327603195.db2.gz XTJZVBTVLWKUDO-LBPRGKRZSA-N 1 2 374.363 2.492 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000247373628 328683920 /nfs/dbraw/zinc/68/39/20/328683920.db2.gz HTXDNDQRULQNKR-CJNGLKHVSA-N 1 2 364.427 2.372 20 5 FEBDLO COc1ccc(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)cc1[N+](=O)[O-] ZINC000264701720 329050522 /nfs/dbraw/zinc/05/05/22/329050522.db2.gz QIRTYRWSAIOVQV-CQSZACIVSA-N 1 2 373.413 2.214 20 5 FEBDLO COc1ccc(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)cc1[N+](=O)[O-] ZINC000264701720 329050524 /nfs/dbraw/zinc/05/05/24/329050524.db2.gz QIRTYRWSAIOVQV-CQSZACIVSA-N 1 2 373.413 2.214 20 5 FEBDLO CCOC[C@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000265032578 329084615 /nfs/dbraw/zinc/08/46/15/329084615.db2.gz IQNXVFPPNDIOSG-LBPRGKRZSA-N 1 2 365.386 2.011 20 5 FEBDLO CCOC[C@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000265032578 329084616 /nfs/dbraw/zinc/08/46/16/329084616.db2.gz IQNXVFPPNDIOSG-LBPRGKRZSA-N 1 2 365.386 2.011 20 5 FEBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H](OCCO)C1 ZINC000265216644 329103314 /nfs/dbraw/zinc/10/33/14/329103314.db2.gz NHVNDXNWMSNULV-AAEUAGOBSA-N 1 2 371.821 2.049 20 5 FEBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H](OCCO)C1 ZINC000265216644 329103316 /nfs/dbraw/zinc/10/33/16/329103316.db2.gz NHVNDXNWMSNULV-AAEUAGOBSA-N 1 2 371.821 2.049 20 5 FEBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000265306247 329112517 /nfs/dbraw/zinc/11/25/17/329112517.db2.gz QAXRYPMZYBNGOT-HNNXBMFYSA-N 1 2 370.409 2.274 20 5 FEBDLO C[C@H]1SCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C ZINC000265463868 329129626 /nfs/dbraw/zinc/12/96/26/329129626.db2.gz HHHSEARJXRCTOC-NXEZZACHSA-N 1 2 353.400 2.088 20 5 FEBDLO C[C@H]1SCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C ZINC000265463868 329129627 /nfs/dbraw/zinc/12/96/27/329129627.db2.gz HHHSEARJXRCTOC-NXEZZACHSA-N 1 2 353.400 2.088 20 5 FEBDLO Cc1cnc(NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000266198302 329199553 /nfs/dbraw/zinc/19/95/53/329199553.db2.gz IIVDKCDGCNILPS-UHFFFAOYSA-N 1 2 370.413 2.007 20 5 FEBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000266250888 329204713 /nfs/dbraw/zinc/20/47/13/329204713.db2.gz NCHBVYVSPKWZCO-NSHDSACASA-N 1 2 373.381 2.042 20 5 FEBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000267550100 329337437 /nfs/dbraw/zinc/33/74/37/329337437.db2.gz GJKKFITXUNXZIN-UHFFFAOYSA-N 1 2 350.400 2.027 20 5 FEBDLO COC(=O)C[C@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000267631083 329344980 /nfs/dbraw/zinc/34/49/80/329344980.db2.gz JOXSFXPVDCFZKS-HNNXBMFYSA-N 1 2 372.381 2.129 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000268046346 329380204 /nfs/dbraw/zinc/38/02/04/329380204.db2.gz JMNHFBFTFXOFJJ-JTQLQIEISA-N 1 2 354.363 2.025 20 5 FEBDLO CS(=O)(=O)c1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000269869585 329556051 /nfs/dbraw/zinc/55/60/51/329556051.db2.gz MHMAWYKLNJIDSD-GFCCVEGCSA-N 1 2 362.411 2.084 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000271399617 329690982 /nfs/dbraw/zinc/69/09/82/329690982.db2.gz NKMLAYLIASEJFI-SNVBAGLBSA-N 1 2 368.440 2.146 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000272489166 329785195 /nfs/dbraw/zinc/78/51/95/329785195.db2.gz DNAKEQHHBRTLBT-TZMCWYRMSA-N 1 2 358.320 2.321 20 5 FEBDLO C[C@H](CC[S@](C)=O)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272569536 329792776 /nfs/dbraw/zinc/79/27/76/329792776.db2.gz VRJBXFZNHSHLKQ-VQGQKXPLSA-N 1 2 350.444 2.164 20 5 FEBDLO C[C@@H](c1nccs1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000274296380 329935663 /nfs/dbraw/zinc/93/56/63/329935663.db2.gz MHZJAPQLNCVYOT-JTQLQIEISA-N 1 2 360.399 2.471 20 5 FEBDLO CCc1n[nH]c(C(=O)N2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)c1[N+](=O)[O-] ZINC000275302550 330032643 /nfs/dbraw/zinc/03/26/43/330032643.db2.gz NASLBAQPXOAZKH-LBPRGKRZSA-N 1 2 372.429 2.351 20 5 FEBDLO Cc1c(NC(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000275655597 330074838 /nfs/dbraw/zinc/07/48/38/330074838.db2.gz KVDLGXBMZFQFAQ-OAHLLOKOSA-N 1 2 362.430 2.478 20 5 FEBDLO Cc1c(NC(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000275655597 330074840 /nfs/dbraw/zinc/07/48/40/330074840.db2.gz KVDLGXBMZFQFAQ-OAHLLOKOSA-N 1 2 362.430 2.478 20 5 FEBDLO Cc1cc(NC(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000276128339 330121965 /nfs/dbraw/zinc/12/19/65/330121965.db2.gz YECNUBZYTXSDRO-MRXNPFEDSA-N 1 2 362.430 2.478 20 5 FEBDLO Cc1cc(NC(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000276128339 330121966 /nfs/dbraw/zinc/12/19/66/330121966.db2.gz YECNUBZYTXSDRO-MRXNPFEDSA-N 1 2 362.430 2.478 20 5 FEBDLO CCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000156109713 545599882 /nfs/dbraw/zinc/59/98/82/545599882.db2.gz MTUWMEYKKPEJRP-JSGCOSHPSA-N 1 2 351.403 2.431 20 5 FEBDLO CCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000156109713 545599884 /nfs/dbraw/zinc/59/98/84/545599884.db2.gz MTUWMEYKKPEJRP-JSGCOSHPSA-N 1 2 351.403 2.431 20 5 FEBDLO CN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000158065074 545818932 /nfs/dbraw/zinc/81/89/32/545818932.db2.gz PBJVNAAHVYZSLD-GOSISDBHSA-N 1 2 355.394 2.459 20 5 FEBDLO CN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000158065074 545818937 /nfs/dbraw/zinc/81/89/37/545818937.db2.gz PBJVNAAHVYZSLD-GOSISDBHSA-N 1 2 355.394 2.459 20 5 FEBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000159350456 545945542 /nfs/dbraw/zinc/94/55/42/545945542.db2.gz KVIJCEBAZGRBDA-NVXWUHKLSA-N 1 2 362.382 2.391 20 5 FEBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000159350456 545945546 /nfs/dbraw/zinc/94/55/46/545945546.db2.gz KVIJCEBAZGRBDA-NVXWUHKLSA-N 1 2 362.382 2.391 20 5 FEBDLO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177772765 546683667 /nfs/dbraw/zinc/68/36/67/546683667.db2.gz IQHGDOIZMVIWBH-INIZCTEOSA-N 1 2 366.381 2.282 20 5 FEBDLO O=[N+]([O-])c1ccc(OCCN2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000177788254 546687147 /nfs/dbraw/zinc/68/71/47/546687147.db2.gz YNALLACFSKBPFZ-UHFFFAOYSA-N 1 2 357.410 2.497 20 5 FEBDLO COCCO[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000179351764 546937744 /nfs/dbraw/zinc/93/77/44/546937744.db2.gz OVKFROQWOGPJOK-HNNXBMFYSA-N 1 2 362.386 2.272 20 5 FEBDLO COCCO[C@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000179351764 546937747 /nfs/dbraw/zinc/93/77/47/546937747.db2.gz OVKFROQWOGPJOK-HNNXBMFYSA-N 1 2 362.386 2.272 20 5 FEBDLO NC(=O)c1ccc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000181555375 547333998 /nfs/dbraw/zinc/33/39/98/547333998.db2.gz JHQNWYLBDROCHF-QGZVFWFLSA-N 1 2 355.394 2.137 20 5 FEBDLO NC(=O)c1ccc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000181555375 547333999 /nfs/dbraw/zinc/33/39/99/547333999.db2.gz JHQNWYLBDROCHF-QGZVFWFLSA-N 1 2 355.394 2.137 20 5 FEBDLO C[NH+]1CCN([C@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000182088412 547435308 /nfs/dbraw/zinc/43/53/08/547435308.db2.gz ACBSWSFSXAPJDU-SFHVURJKSA-N 1 2 370.409 2.228 20 5 FEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1 ZINC000182298162 547469176 /nfs/dbraw/zinc/46/91/76/547469176.db2.gz AWQSETIQYFTAOU-KRWDZBQOSA-N 1 2 367.471 2.421 20 5 FEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1 ZINC000182298162 547469181 /nfs/dbraw/zinc/46/91/81/547469181.db2.gz AWQSETIQYFTAOU-KRWDZBQOSA-N 1 2 367.471 2.421 20 5 FEBDLO CNC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000182441931 547493762 /nfs/dbraw/zinc/49/37/62/547493762.db2.gz IDRHTEVPMMPMJQ-HNNXBMFYSA-N 1 2 361.423 2.270 20 5 FEBDLO CNC(=O)[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000182441931 547493764 /nfs/dbraw/zinc/49/37/64/547493764.db2.gz IDRHTEVPMMPMJQ-HNNXBMFYSA-N 1 2 361.423 2.270 20 5 FEBDLO O=C(CCn1cc([N+](=O)[O-])cn1)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000485272952 561316156 /nfs/dbraw/zinc/31/61/56/561316156.db2.gz ZFGFHSZHWDHXAP-UHFFFAOYSA-N 1 2 358.333 2.277 20 5 FEBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185135053 547938613 /nfs/dbraw/zinc/93/86/13/547938613.db2.gz VMTCXBWAQAEPFF-YVEFUNNKSA-N 1 2 360.370 2.197 20 5 FEBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185135053 547938617 /nfs/dbraw/zinc/93/86/17/547938617.db2.gz VMTCXBWAQAEPFF-YVEFUNNKSA-N 1 2 360.370 2.197 20 5 FEBDLO COc1cccc(NC[C@]2([NH+]3CCOCC3)CCSC2)c1[N+](=O)[O-] ZINC000185231645 547956061 /nfs/dbraw/zinc/95/60/61/547956061.db2.gz NWIPLNUTYFYWDT-MRXNPFEDSA-N 1 2 353.444 2.223 20 5 FEBDLO CCOCC[NH+]1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000185234911 547956251 /nfs/dbraw/zinc/95/62/51/547956251.db2.gz VTSSUYVLPFHQCK-CYBMUJFWSA-N 1 2 353.394 2.018 20 5 FEBDLO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000486678446 561354174 /nfs/dbraw/zinc/35/41/74/561354174.db2.gz XATHZTGXQJWNOL-UHFFFAOYSA-N 1 2 373.756 2.234 20 5 FEBDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccccc1 ZINC000245615816 548958681 /nfs/dbraw/zinc/95/86/81/548958681.db2.gz CVWJFWCXIUGRKA-IUODEOHRSA-N 1 2 367.452 2.380 20 5 FEBDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccccc1 ZINC000245615816 548958682 /nfs/dbraw/zinc/95/86/82/548958682.db2.gz CVWJFWCXIUGRKA-IUODEOHRSA-N 1 2 367.452 2.380 20 5 FEBDLO CC(C)CN1C[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000488753999 561396075 /nfs/dbraw/zinc/39/60/75/561396075.db2.gz OBKYTPMAZBEOCJ-INIZCTEOSA-N 1 2 362.430 2.051 20 5 FEBDLO CC(C)CN1C[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000488753999 561396076 /nfs/dbraw/zinc/39/60/76/561396076.db2.gz OBKYTPMAZBEOCJ-INIZCTEOSA-N 1 2 362.430 2.051 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488771708 561396629 /nfs/dbraw/zinc/39/66/29/561396629.db2.gz RJOZWQFQVPXSAP-INIZCTEOSA-N 1 2 362.430 2.181 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488771708 561396630 /nfs/dbraw/zinc/39/66/30/561396630.db2.gz RJOZWQFQVPXSAP-INIZCTEOSA-N 1 2 362.430 2.181 20 5 FEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000488912704 561399334 /nfs/dbraw/zinc/39/93/34/561399334.db2.gz LKAUQCJQEOGGRL-LBPRGKRZSA-N 1 2 353.444 2.157 20 5 FEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000488912704 561399335 /nfs/dbraw/zinc/39/93/35/561399335.db2.gz LKAUQCJQEOGGRL-LBPRGKRZSA-N 1 2 353.444 2.157 20 5 FEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000248702788 549487285 /nfs/dbraw/zinc/48/72/85/549487285.db2.gz AKNMGWNIUFSICL-HLLBOEOZSA-N 1 2 363.458 2.389 20 5 FEBDLO CN1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000249832749 549632530 /nfs/dbraw/zinc/63/25/30/549632530.db2.gz PUXLQLUTHTVPGG-UYAOXDASSA-N 1 2 371.437 2.323 20 5 FEBDLO CN1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000249832749 549632534 /nfs/dbraw/zinc/63/25/34/549632534.db2.gz PUXLQLUTHTVPGG-UYAOXDASSA-N 1 2 371.437 2.323 20 5 FEBDLO CCOC(=O)c1c[nH+]c2ccccc2c1NCCn1cc([N+](=O)[O-])cn1 ZINC000493872742 561458647 /nfs/dbraw/zinc/45/86/47/561458647.db2.gz LCYMUHVXELTAGF-UHFFFAOYSA-N 1 2 355.354 2.050 20 5 FEBDLO COc1cc(C[N@@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])cc1OC ZINC000271406916 550373040 /nfs/dbraw/zinc/37/30/40/550373040.db2.gz WUCVAIBFHVEIEB-LBPRGKRZSA-N 1 2 361.402 2.418 20 5 FEBDLO COc1cc(C[N@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])cc1OC ZINC000271406916 550373042 /nfs/dbraw/zinc/37/30/42/550373042.db2.gz WUCVAIBFHVEIEB-LBPRGKRZSA-N 1 2 361.402 2.418 20 5 FEBDLO COc1cc(C[N@@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)c([N+](=O)[O-])cc1OC ZINC000271406916 550373044 /nfs/dbraw/zinc/37/30/44/550373044.db2.gz WUCVAIBFHVEIEB-LBPRGKRZSA-N 1 2 361.402 2.418 20 5 FEBDLO COc1cc(C[N@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)c([N+](=O)[O-])cc1OC ZINC000271406916 550373046 /nfs/dbraw/zinc/37/30/46/550373046.db2.gz WUCVAIBFHVEIEB-LBPRGKRZSA-N 1 2 361.402 2.418 20 5 FEBDLO COc1cc(C[N@@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])cc1OC ZINC000271406916 550373048 /nfs/dbraw/zinc/37/30/48/550373048.db2.gz WUCVAIBFHVEIEB-LBPRGKRZSA-N 1 2 361.402 2.418 20 5 FEBDLO COc1cc(C[N@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])cc1OC ZINC000271406916 550373050 /nfs/dbraw/zinc/37/30/50/550373050.db2.gz WUCVAIBFHVEIEB-LBPRGKRZSA-N 1 2 361.402 2.418 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494260766 561465938 /nfs/dbraw/zinc/46/59/38/561465938.db2.gz YVQBFNIIAPKIIT-UHFFFAOYSA-N 1 2 361.373 2.475 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494260766 561465939 /nfs/dbraw/zinc/46/59/39/561465939.db2.gz YVQBFNIIAPKIIT-UHFFFAOYSA-N 1 2 361.373 2.475 20 5 FEBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(CN(C)c3ccccc3[N+](=O)[O-])n2)C1 ZINC000272581651 550458999 /nfs/dbraw/zinc/45/89/99/550458999.db2.gz FAUIUSMZXMSOOE-HNNXBMFYSA-N 1 2 361.402 2.396 20 5 FEBDLO CC(C)[N@H+]1CCO[C@H](c2noc(CN(C)c3ccccc3[N+](=O)[O-])n2)C1 ZINC000272581651 550459001 /nfs/dbraw/zinc/45/90/01/550459001.db2.gz FAUIUSMZXMSOOE-HNNXBMFYSA-N 1 2 361.402 2.396 20 5 FEBDLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000272752268 550468793 /nfs/dbraw/zinc/46/87/93/550468793.db2.gz ANGGRJZFWYJEDR-LLVKDONJSA-N 1 2 361.851 2.009 20 5 FEBDLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000272752268 550468795 /nfs/dbraw/zinc/46/87/95/550468795.db2.gz ANGGRJZFWYJEDR-LLVKDONJSA-N 1 2 361.851 2.009 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000273290415 550493172 /nfs/dbraw/zinc/49/31/72/550493172.db2.gz MQEKCEBPLABMLW-HIFRSBDPSA-N 1 2 365.430 2.271 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000273290415 550493174 /nfs/dbraw/zinc/49/31/74/550493174.db2.gz MQEKCEBPLABMLW-HIFRSBDPSA-N 1 2 365.430 2.271 20 5 FEBDLO O=C(C[N@@H+]1CCc2cc[nH]c(=O)c2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000276995962 550619743 /nfs/dbraw/zinc/61/97/43/550619743.db2.gz VMSPPVGSMWWVKV-UHFFFAOYSA-N 1 2 362.773 2.346 20 5 FEBDLO O=C(C[N@H+]1CCc2cc[nH]c(=O)c2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000276995962 550619744 /nfs/dbraw/zinc/61/97/44/550619744.db2.gz VMSPPVGSMWWVKV-UHFFFAOYSA-N 1 2 362.773 2.346 20 5 FEBDLO Cc1ccc([C@H](C)[NH2+]Cc2nnnn2CC2CCOCC2)cc1[N+](=O)[O-] ZINC000278957973 550840267 /nfs/dbraw/zinc/84/02/67/550840267.db2.gz ZIYQDCCKJZZAMM-ZDUSSCGKSA-N 1 2 360.418 2.167 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c(Cl)c1 ZINC000278971367 550841977 /nfs/dbraw/zinc/84/19/77/550841977.db2.gz XUVMZOKSTZCTBI-CQSZACIVSA-N 1 2 373.862 2.248 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c(Cl)c1 ZINC000278971367 550841980 /nfs/dbraw/zinc/84/19/80/550841980.db2.gz XUVMZOKSTZCTBI-CQSZACIVSA-N 1 2 373.862 2.248 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000279535422 550900738 /nfs/dbraw/zinc/90/07/38/550900738.db2.gz QLOMNHDQEQAZJV-KBPBESRZSA-N 1 2 350.419 2.018 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279737120 550923468 /nfs/dbraw/zinc/92/34/68/550923468.db2.gz RCLKBHHWNUJMGV-LLVKDONJSA-N 1 2 373.812 2.109 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@]2(CCOC2)O1 ZINC000280505143 551001449 /nfs/dbraw/zinc/00/14/49/551001449.db2.gz NGONGFLDYMIEFM-PXAZEXFGSA-N 1 2 360.370 2.025 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@]2(CCOC2)O1 ZINC000280505143 551001451 /nfs/dbraw/zinc/00/14/51/551001451.db2.gz NGONGFLDYMIEFM-PXAZEXFGSA-N 1 2 360.370 2.025 20 5 FEBDLO Cc1cc(OCC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000281673382 551128992 /nfs/dbraw/zinc/12/89/92/551128992.db2.gz OEVXOZQTJDNARP-AWEZNQCLSA-N 1 2 356.382 2.072 20 5 FEBDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000282241706 551199735 /nfs/dbraw/zinc/19/97/35/551199735.db2.gz ANUQVTZOZOUNQE-OAHLLOKOSA-N 1 2 350.396 2.474 20 5 FEBDLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000282241706 551199736 /nfs/dbraw/zinc/19/97/36/551199736.db2.gz ANUQVTZOZOUNQE-OAHLLOKOSA-N 1 2 350.396 2.474 20 5 FEBDLO Cc1nn(C)c(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000282256967 551202303 /nfs/dbraw/zinc/20/23/03/551202303.db2.gz JHXRKVZDGDZQLX-ZDUSSCGKSA-N 1 2 372.429 2.189 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000282696086 551260908 /nfs/dbraw/zinc/26/09/08/551260908.db2.gz SGSGKZXQWBYRGE-UHFFFAOYSA-N 1 2 356.382 2.351 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000283022280 551298942 /nfs/dbraw/zinc/29/89/42/551298942.db2.gz XPTIDPQKXKKXLW-UHFFFAOYSA-N 1 2 368.397 2.409 20 5 FEBDLO CC(C)[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000283096560 551310684 /nfs/dbraw/zinc/31/06/84/551310684.db2.gz UIUXGGIVNRTIGG-AWEZNQCLSA-N 1 2 355.358 2.026 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000285882560 551823042 /nfs/dbraw/zinc/82/30/42/551823042.db2.gz QVDWQMNFOAMTLY-WFASDCNBSA-N 1 2 359.382 2.276 20 5 FEBDLO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000285987684 551835310 /nfs/dbraw/zinc/83/53/10/551835310.db2.gz IBKXZSUJEXZJTB-HNNXBMFYSA-N 1 2 359.382 2.342 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000287498502 552011924 /nfs/dbraw/zinc/01/19/24/552011924.db2.gz ULSNAUFEYPSECU-DGCLKSJQSA-N 1 2 353.806 2.183 20 5 FEBDLO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)N1 ZINC000289336470 552303616 /nfs/dbraw/zinc/30/36/16/552303616.db2.gz FGQVCNQFYZCYRK-CQSZACIVSA-N 1 2 373.196 2.076 20 5 FEBDLO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)N1 ZINC000289336470 552303617 /nfs/dbraw/zinc/30/36/17/552303617.db2.gz FGQVCNQFYZCYRK-CQSZACIVSA-N 1 2 373.196 2.076 20 5 FEBDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000500470799 561574258 /nfs/dbraw/zinc/57/42/58/561574258.db2.gz SILXETLSZGJGRR-ZDUSSCGKSA-N 1 2 359.386 2.135 20 5 FEBDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000500470799 561574259 /nfs/dbraw/zinc/57/42/59/561574259.db2.gz SILXETLSZGJGRR-ZDUSSCGKSA-N 1 2 359.386 2.135 20 5 FEBDLO CC1(C)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1[C@@H]1CCCO1 ZINC000289795911 552379917 /nfs/dbraw/zinc/37/99/17/552379917.db2.gz NMXUOBVUIILDLK-WMZOPIPTSA-N 1 2 359.426 2.373 20 5 FEBDLO CC1(C)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1[C@@H]1CCCO1 ZINC000289795911 552379919 /nfs/dbraw/zinc/37/99/19/552379919.db2.gz NMXUOBVUIILDLK-WMZOPIPTSA-N 1 2 359.426 2.373 20 5 FEBDLO COc1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000291871535 552670451 /nfs/dbraw/zinc/67/04/51/552670451.db2.gz LJYWIEYGOKKQLA-UHFFFAOYSA-N 1 2 363.395 2.350 20 5 FEBDLO COc1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000291871535 552670452 /nfs/dbraw/zinc/67/04/52/552670452.db2.gz LJYWIEYGOKKQLA-UHFFFAOYSA-N 1 2 363.395 2.350 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293024864 552781547 /nfs/dbraw/zinc/78/15/47/552781547.db2.gz RBCDTCNEXDFPLF-CQSZACIVSA-N 1 2 351.794 2.169 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293024864 552781548 /nfs/dbraw/zinc/78/15/48/552781548.db2.gz RBCDTCNEXDFPLF-CQSZACIVSA-N 1 2 351.794 2.169 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295180751 552967329 /nfs/dbraw/zinc/96/73/29/552967329.db2.gz BTUPJZGVYRUXDG-CQSZACIVSA-N 1 2 364.427 2.241 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@](C)(F)C1 ZINC000295798302 553060164 /nfs/dbraw/zinc/06/01/64/553060164.db2.gz VTXZNSOTDQRAEC-MRXNPFEDSA-N 1 2 371.413 2.072 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@](C)(F)C1 ZINC000295798302 553060167 /nfs/dbraw/zinc/06/01/67/553060167.db2.gz VTXZNSOTDQRAEC-MRXNPFEDSA-N 1 2 371.413 2.072 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000502615101 561622190 /nfs/dbraw/zinc/62/21/90/561622190.db2.gz BPBFCLIHUWHGPQ-CQSZACIVSA-N 1 2 372.429 2.388 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000298822794 553477562 /nfs/dbraw/zinc/47/75/62/553477562.db2.gz ZZGYMSLFXGEIKH-VHSXEESVSA-N 1 2 355.778 2.070 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000298822794 553477564 /nfs/dbraw/zinc/47/75/64/553477564.db2.gz ZZGYMSLFXGEIKH-VHSXEESVSA-N 1 2 355.778 2.070 20 5 FEBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCC[NH+]1CCCCC1 ZINC000301268945 553637246 /nfs/dbraw/zinc/63/72/46/553637246.db2.gz URFKOPROOXWZGE-UHFFFAOYSA-N 1 2 363.386 2.489 20 5 FEBDLO CCc1cc(NC[C@@H]2C[NH+]3CCN2CC3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301753162 553677169 /nfs/dbraw/zinc/67/71/69/553677169.db2.gz BSAWRTVFGJTSGZ-QGZVFWFLSA-N 1 2 368.441 2.026 20 5 FEBDLO CN(C)c1[nH+]cccc1CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301895006 553689093 /nfs/dbraw/zinc/68/90/93/553689093.db2.gz PQRZGEFDXBBOOY-UHFFFAOYSA-N 1 2 350.400 2.071 20 5 FEBDLO CS(=O)(=O)c1cccc(NCCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000301903511 553690538 /nfs/dbraw/zinc/69/05/38/553690538.db2.gz OYLORSCUEDMODX-UHFFFAOYSA-N 1 2 360.395 2.301 20 5 FEBDLO Cc1cccc(N2CC[NH+](CC(=O)NC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000302509121 553719473 /nfs/dbraw/zinc/71/94/73/553719473.db2.gz RVGYSIWYNVZZFX-UHFFFAOYSA-N 1 2 360.458 2.474 20 5 FEBDLO COC(=O)c1cnc(NCCc2[nH]c3ccc(F)cc3[nH+]2)c([N+](=O)[O-])c1 ZINC000302745614 553730467 /nfs/dbraw/zinc/73/04/67/553730467.db2.gz FPEMSMGOAOQBRN-UHFFFAOYSA-N 1 2 359.317 2.446 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2cnc(N(C)C)nc2)cccc1[N+](=O)[O-] ZINC000506032870 561688005 /nfs/dbraw/zinc/68/80/05/561688005.db2.gz SPMJWKYCTMTWJD-CYBMUJFWSA-N 1 2 372.429 2.218 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2cnc(N(C)C)nc2)cccc1[N+](=O)[O-] ZINC000506032870 561688006 /nfs/dbraw/zinc/68/80/06/561688006.db2.gz SPMJWKYCTMTWJD-CYBMUJFWSA-N 1 2 372.429 2.218 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000330826758 554176307 /nfs/dbraw/zinc/17/63/07/554176307.db2.gz OZNPEPCJAOXXJZ-QMTHXVAHSA-N 1 2 361.320 2.311 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000330826758 554176308 /nfs/dbraw/zinc/17/63/08/554176308.db2.gz OZNPEPCJAOXXJZ-QMTHXVAHSA-N 1 2 361.320 2.311 20 5 FEBDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000331614963 554294932 /nfs/dbraw/zinc/29/49/32/554294932.db2.gz FYMUUVPVQFGCIL-ZDUSSCGKSA-N 1 2 366.487 2.221 20 5 FEBDLO Cc1cc[nH+]c(N2CCN(C(=O)c3[nH]nc(C(C)C)c3[N+](=O)[O-])CC2)c1 ZINC000332423060 554443971 /nfs/dbraw/zinc/44/39/71/554443971.db2.gz RTHNASNVUQDBBA-UHFFFAOYSA-N 1 2 358.402 2.107 20 5 FEBDLO Cc1cc[nH+]c(N2CCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])CC2)c1 ZINC000332423060 554443974 /nfs/dbraw/zinc/44/39/74/554443974.db2.gz RTHNASNVUQDBBA-UHFFFAOYSA-N 1 2 358.402 2.107 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000332532061 554465305 /nfs/dbraw/zinc/46/53/05/554465305.db2.gz SCHONSONSDIEKG-CQSZACIVSA-N 1 2 353.444 2.070 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000332532061 554465307 /nfs/dbraw/zinc/46/53/07/554465307.db2.gz SCHONSONSDIEKG-CQSZACIVSA-N 1 2 353.444 2.070 20 5 FEBDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])C2 ZINC000332655118 554491922 /nfs/dbraw/zinc/49/19/22/554491922.db2.gz OFHSGHTVYDWQFK-NSHDSACASA-N 1 2 357.414 2.416 20 5 FEBDLO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3COCC[N@@H+]3C3CCCC3)n2)n1C ZINC000350277494 554775517 /nfs/dbraw/zinc/77/55/17/554775517.db2.gz ZHDYCSLHUPYRCL-LBPRGKRZSA-N 1 2 362.390 2.003 20 5 FEBDLO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3COCC[N@H+]3C3CCCC3)n2)n1C ZINC000350277494 554775518 /nfs/dbraw/zinc/77/55/18/554775518.db2.gz ZHDYCSLHUPYRCL-LBPRGKRZSA-N 1 2 362.390 2.003 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000511230814 561862107 /nfs/dbraw/zinc/86/21/07/561862107.db2.gz CVXTYWLNPVCULK-CQSZACIVSA-N 1 2 364.427 2.375 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3C[N@@H+](C(C)C)CCO3)n2)c1 ZINC000351222281 554845090 /nfs/dbraw/zinc/84/50/90/554845090.db2.gz MMWGYQHFTIYFOV-OAHLLOKOSA-N 1 2 362.386 2.359 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3C[N@H+](C(C)C)CCO3)n2)c1 ZINC000351222281 554845093 /nfs/dbraw/zinc/84/50/93/554845093.db2.gz MMWGYQHFTIYFOV-OAHLLOKOSA-N 1 2 362.386 2.359 20 5 FEBDLO Cn1cc[nH+]c1CNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 ZINC000361278459 554914383 /nfs/dbraw/zinc/91/43/83/554914383.db2.gz MMALYZRAPQHKKG-WBVHZDCISA-N 1 2 369.425 2.176 20 5 FEBDLO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000364054583 555241693 /nfs/dbraw/zinc/24/16/93/555241693.db2.gz JEFFINPKXRSEPH-UGFHNGPFSA-N 1 2 371.397 2.263 20 5 FEBDLO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000364054583 555241694 /nfs/dbraw/zinc/24/16/94/555241694.db2.gz JEFFINPKXRSEPH-UGFHNGPFSA-N 1 2 371.397 2.263 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512824202 561916759 /nfs/dbraw/zinc/91/67/59/561916759.db2.gz PEQCHKKAQJQQSE-QWRGUYRKSA-N 1 2 373.356 2.492 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](COC(F)F)C1 ZINC000512824202 561916761 /nfs/dbraw/zinc/91/67/61/561916761.db2.gz PEQCHKKAQJQQSE-QWRGUYRKSA-N 1 2 373.356 2.492 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000365251827 555523108 /nfs/dbraw/zinc/52/31/08/555523108.db2.gz YYRQDAYMPVAGSV-ZDUSSCGKSA-N 1 2 358.398 2.432 20 5 FEBDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000366470210 555853490 /nfs/dbraw/zinc/85/34/90/555853490.db2.gz IHHMLAMLYBYUHY-GFCCVEGCSA-N 1 2 354.794 2.233 20 5 FEBDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000366470210 555853492 /nfs/dbraw/zinc/85/34/92/555853492.db2.gz IHHMLAMLYBYUHY-GFCCVEGCSA-N 1 2 354.794 2.233 20 5 FEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000368148820 556230391 /nfs/dbraw/zinc/23/03/91/556230391.db2.gz PWLDECQXOBQLNB-SJLPKXTDSA-N 1 2 361.442 2.097 20 5 FEBDLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)nn1 ZINC000368856549 556430452 /nfs/dbraw/zinc/43/04/52/556430452.db2.gz PNIZUJZZOIKQKG-GFCCVEGCSA-N 1 2 365.777 2.073 20 5 FEBDLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)nn1 ZINC000368856549 556430454 /nfs/dbraw/zinc/43/04/54/556430454.db2.gz PNIZUJZZOIKQKG-GFCCVEGCSA-N 1 2 365.777 2.073 20 5 FEBDLO Cc1nc(N[C@H](C[NH+]2CCN(C)CC2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000515594480 562016362 /nfs/dbraw/zinc/01/63/62/562016362.db2.gz HMUYQZSSDIUBEN-MRXNPFEDSA-N 1 2 356.430 2.094 20 5 FEBDLO Cc1noc([C@]2(O)CC[N@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)C2)n1 ZINC000368906719 556444312 /nfs/dbraw/zinc/44/43/12/556444312.db2.gz SRAIJZFDGZSXAO-AWEZNQCLSA-N 1 2 372.303 2.399 20 5 FEBDLO Cc1noc([C@]2(O)CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)C2)n1 ZINC000368906719 556444318 /nfs/dbraw/zinc/44/43/18/556444318.db2.gz SRAIJZFDGZSXAO-AWEZNQCLSA-N 1 2 372.303 2.399 20 5 FEBDLO C[N@H+](Cc1ccccc1F)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000516152627 562032940 /nfs/dbraw/zinc/03/29/40/562032940.db2.gz GECZZSOBFQWGIO-MRXNPFEDSA-N 1 2 357.341 2.498 20 5 FEBDLO C[N@@H+](Cc1ccccc1F)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000516152627 562032942 /nfs/dbraw/zinc/03/29/42/562032942.db2.gz GECZZSOBFQWGIO-MRXNPFEDSA-N 1 2 357.341 2.498 20 5 FEBDLO C[NH+]1CCN(C[C@H]2CCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000369309786 556571006 /nfs/dbraw/zinc/57/10/06/556571006.db2.gz IAUMMTAHGMKKQB-KBOKABMXSA-N 1 2 372.469 2.094 20 5 FEBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1F ZINC000370539302 556903380 /nfs/dbraw/zinc/90/33/80/556903380.db2.gz LMRPHIQQWADFGV-OAHLLOKOSA-N 1 2 355.329 2.382 20 5 FEBDLO Cc1cc(C2=CCN(c3[nH+]cnc4c3cnn4C)CC2)cc([N+](=O)[O-])c1N ZINC000370974846 557032911 /nfs/dbraw/zinc/03/29/11/557032911.db2.gz DNAHWEOZDWXJEL-UHFFFAOYSA-N 1 2 365.397 2.456 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000371319560 557144542 /nfs/dbraw/zinc/14/45/42/557144542.db2.gz SJDZMPWJQCJROG-JTQLQIEISA-N 1 2 370.818 2.160 20 5 FEBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1 ZINC000371378893 557166281 /nfs/dbraw/zinc/16/62/81/557166281.db2.gz LRBXVIZBKJOTLM-AWEZNQCLSA-N 1 2 368.340 2.466 20 5 FEBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1 ZINC000371378893 557166284 /nfs/dbraw/zinc/16/62/84/557166284.db2.gz LRBXVIZBKJOTLM-AWEZNQCLSA-N 1 2 368.340 2.466 20 5 FEBDLO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000371994553 557350975 /nfs/dbraw/zinc/35/09/75/557350975.db2.gz XTDZBKLRUCSOAZ-HOCLYGCPSA-N 1 2 351.378 2.107 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)Nc1ccc(F)c(F)c1 ZINC000372353351 557447847 /nfs/dbraw/zinc/44/78/47/557447847.db2.gz FDLFVRACOASQQS-LBPRGKRZSA-N 1 2 365.340 2.345 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)Nc1ccc(F)c(F)c1 ZINC000372353351 557447849 /nfs/dbraw/zinc/44/78/49/557447849.db2.gz FDLFVRACOASQQS-LBPRGKRZSA-N 1 2 365.340 2.345 20 5 FEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000372379795 557455001 /nfs/dbraw/zinc/45/50/01/557455001.db2.gz IOJRCYPGLOFEAA-PWSUYJOCSA-N 1 2 364.793 2.114 20 5 FEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H](n2cncn2)C1 ZINC000372379795 557455004 /nfs/dbraw/zinc/45/50/04/557455004.db2.gz IOJRCYPGLOFEAA-PWSUYJOCSA-N 1 2 364.793 2.114 20 5 FEBDLO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000373117545 557632422 /nfs/dbraw/zinc/63/24/22/557632422.db2.gz HPODIALZYVKHPV-QGZVFWFLSA-N 1 2 365.393 2.362 20 5 FEBDLO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000373117545 557632423 /nfs/dbraw/zinc/63/24/23/557632423.db2.gz HPODIALZYVKHPV-QGZVFWFLSA-N 1 2 365.393 2.362 20 5 FEBDLO C[C@H](c1nnnn1-c1ccccc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373229786 557654398 /nfs/dbraw/zinc/65/43/98/557654398.db2.gz OZSVPIWQOWLMKU-CYBMUJFWSA-N 1 2 368.401 2.165 20 5 FEBDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000373716501 557743894 /nfs/dbraw/zinc/74/38/94/557743894.db2.gz VDDQZZXGCKYDLZ-UHFFFAOYSA-N 1 2 354.370 2.453 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](OCC3CC3)C2)c([N+](=O)[O-])c1 ZINC000375316094 558007883 /nfs/dbraw/zinc/00/78/83/558007883.db2.gz VUFTVTAZBDMDGL-HNNXBMFYSA-N 1 2 363.414 2.433 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](OCC3CC3)C2)c([N+](=O)[O-])c1 ZINC000375316094 558007885 /nfs/dbraw/zinc/00/78/85/558007885.db2.gz VUFTVTAZBDMDGL-HNNXBMFYSA-N 1 2 363.414 2.433 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2c[nH]nc2C)CC1 ZINC000375362100 558015391 /nfs/dbraw/zinc/01/53/91/558015391.db2.gz OBXPUJAYZSKRDH-UHFFFAOYSA-N 1 2 373.413 2.453 20 5 FEBDLO Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000375390125 558019621 /nfs/dbraw/zinc/01/96/21/558019621.db2.gz IAEOMFTWHZOVSC-INIZCTEOSA-N 1 2 357.414 2.053 20 5 FEBDLO Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000375390125 558019622 /nfs/dbraw/zinc/01/96/22/558019622.db2.gz IAEOMFTWHZOVSC-INIZCTEOSA-N 1 2 357.414 2.053 20 5 FEBDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000376149511 558133737 /nfs/dbraw/zinc/13/37/37/558133737.db2.gz LZGRNAYRSPQEOV-QGZVFWFLSA-N 1 2 360.414 2.397 20 5 FEBDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000376149511 558133739 /nfs/dbraw/zinc/13/37/39/558133739.db2.gz LZGRNAYRSPQEOV-QGZVFWFLSA-N 1 2 360.414 2.397 20 5 FEBDLO CSc1cccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000376169863 558136154 /nfs/dbraw/zinc/13/61/54/558136154.db2.gz CXNLOPVXSJIIQK-QWHCGFSZSA-N 1 2 365.455 2.252 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](n3cncn3)C2)ccc1Br ZINC000377282057 558305787 /nfs/dbraw/zinc/30/57/87/558305787.db2.gz ARTMBIXYONSHOV-LLVKDONJSA-N 1 2 352.192 2.396 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](n3cncn3)C2)ccc1Br ZINC000377282057 558305789 /nfs/dbraw/zinc/30/57/89/558305789.db2.gz ARTMBIXYONSHOV-LLVKDONJSA-N 1 2 352.192 2.396 20 5 FEBDLO CN(Cc1noc(C2CC2)n1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000412940652 559065766 /nfs/dbraw/zinc/06/57/66/559065766.db2.gz ADYCMIJGAJCFPQ-UHFFFAOYSA-N 1 2 368.353 2.313 20 5 FEBDLO COc1ccc(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)nc[nH+]2)cc1[N+](=O)[O-] ZINC000413061432 559073897 /nfs/dbraw/zinc/07/38/97/559073897.db2.gz BOYBNKZMNJXMPU-OCCSQVGLSA-N 1 2 373.413 2.213 20 5 FEBDLO COc1ccc(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)cc1[N+](=O)[O-] ZINC000413061432 559073898 /nfs/dbraw/zinc/07/38/98/559073898.db2.gz BOYBNKZMNJXMPU-OCCSQVGLSA-N 1 2 373.413 2.213 20 5 FEBDLO Cn1cc([C@@H]2CN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)C[C@H]2CO)cn1 ZINC000413261835 559093122 /nfs/dbraw/zinc/09/31/22/559093122.db2.gz JJQZICGSPMBQDS-YOEHRIQHSA-N 1 2 353.382 2.089 20 5 FEBDLO C[C@H](O)[C@H]1CCN(c2cc(N(C)CCc3ccccc3[N+](=O)[O-])[nH+]cn2)C1 ZINC000413282778 559095296 /nfs/dbraw/zinc/09/52/96/559095296.db2.gz QOLJWRASPFOWAN-HOCLYGCPSA-N 1 2 371.441 2.271 20 5 FEBDLO C[C@H](O)[C@H]1CCN(c2cc(N(C)CCc3ccccc3[N+](=O)[O-])nc[nH+]2)C1 ZINC000413282778 559095298 /nfs/dbraw/zinc/09/52/98/559095298.db2.gz QOLJWRASPFOWAN-HOCLYGCPSA-N 1 2 371.441 2.271 20 5 FEBDLO CS(=O)(=O)NC[C@H]1CCC[C@@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413284253 559095379 /nfs/dbraw/zinc/09/53/79/559095379.db2.gz PBKPDNIOEONOKZ-DOMZBBRYSA-N 1 2 364.427 2.273 20 5 FEBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413308890 559097366 /nfs/dbraw/zinc/09/73/66/559097366.db2.gz KSRLLZWWLCHQCV-ZDUSSCGKSA-N 1 2 358.398 2.440 20 5 FEBDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413308890 559097367 /nfs/dbraw/zinc/09/73/67/559097367.db2.gz KSRLLZWWLCHQCV-ZDUSSCGKSA-N 1 2 358.398 2.440 20 5 FEBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000425398845 559700199 /nfs/dbraw/zinc/70/01/99/559700199.db2.gz CPJHUOJUAFTBHW-ZDUSSCGKSA-N 1 2 359.220 2.331 20 5 FEBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000425398845 559700200 /nfs/dbraw/zinc/70/02/00/559700200.db2.gz CPJHUOJUAFTBHW-ZDUSSCGKSA-N 1 2 359.220 2.331 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)n1 ZINC000427114349 559748035 /nfs/dbraw/zinc/74/80/35/559748035.db2.gz MFKPDLZXAUTJJU-AWEZNQCLSA-N 1 2 372.360 2.203 20 5 FEBDLO CC[N@H+](CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)CCC(F)(F)F ZINC000427247796 559751389 /nfs/dbraw/zinc/75/13/89/559751389.db2.gz CLBZXZHWAPZGRU-UHFFFAOYSA-N 1 2 373.335 2.475 20 5 FEBDLO CC[N@@H+](CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)CCC(F)(F)F ZINC000427247796 559751390 /nfs/dbraw/zinc/75/13/90/559751390.db2.gz CLBZXZHWAPZGRU-UHFFFAOYSA-N 1 2 373.335 2.475 20 5 FEBDLO CCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000430203251 559815454 /nfs/dbraw/zinc/81/54/54/559815454.db2.gz NZYBNAMSJOFJII-HNNXBMFYSA-N 1 2 356.444 2.393 20 5 FEBDLO CCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000430203251 559815455 /nfs/dbraw/zinc/81/54/55/559815455.db2.gz NZYBNAMSJOFJII-HNNXBMFYSA-N 1 2 356.444 2.393 20 5 FEBDLO Cc1cc(OCC(=O)NCc2[nH+]ccn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000431956832 559849251 /nfs/dbraw/zinc/84/92/51/559849251.db2.gz YTVHZONWNJOIJC-UHFFFAOYSA-N 1 2 372.303 2.357 20 5 FEBDLO CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433466173 559882246 /nfs/dbraw/zinc/88/22/46/559882246.db2.gz LLRVPVUJMFUQFB-CQSZACIVSA-N 1 2 363.805 2.490 20 5 FEBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)Cc2[nH+]ccn2CC(F)(F)F)c1 ZINC000437214836 559961969 /nfs/dbraw/zinc/96/19/69/559961969.db2.gz IHAGERRUHPLNDT-UHFFFAOYSA-N 1 2 363.317 2.469 20 5 FEBDLO CNS(=O)(=O)c1ccc(Nc2ccc3c(c2)[nH+]cn3C)c([N+](=O)[O-])c1 ZINC000439702817 559999100 /nfs/dbraw/zinc/99/91/00/559999100.db2.gz AWFBDRVDUDUJBE-UHFFFAOYSA-N 1 2 361.383 2.133 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000446046920 560138640 /nfs/dbraw/zinc/13/86/40/560138640.db2.gz NEVPBZHDZUYLAP-UHFFFAOYSA-N 1 2 363.805 2.238 20 5 FEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449649902 560235471 /nfs/dbraw/zinc/23/54/71/560235471.db2.gz JZQABOJJUNJSMI-WDEREUQCSA-N 1 2 359.398 2.436 20 5 FEBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](CC2=CCCCC2)CC1 ZINC000450223064 560254444 /nfs/dbraw/zinc/25/44/44/560254444.db2.gz JAPQHJHOGBKCTD-UHFFFAOYSA-N 1 2 365.455 2.402 20 5 FEBDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000450284032 560257058 /nfs/dbraw/zinc/25/70/58/560257058.db2.gz JYCCMRFQGUEFQW-CYBMUJFWSA-N 1 2 366.381 2.489 20 5 FEBDLO Cn1cc[nH+]c1[C@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C1CC1 ZINC000450530080 560265293 /nfs/dbraw/zinc/26/52/93/560265293.db2.gz OYXWXCVVCJUXEL-CQSZACIVSA-N 1 2 350.400 2.295 20 5 FEBDLO CCOC(=O)[C@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC12COC2 ZINC000451130009 560288821 /nfs/dbraw/zinc/28/88/21/560288821.db2.gz DOBHHOGETUFIDR-GFCCVEGCSA-N 1 2 354.790 2.260 20 5 FEBDLO CCOC(=O)[C@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC12COC2 ZINC000451130009 560288822 /nfs/dbraw/zinc/28/88/22/560288822.db2.gz DOBHHOGETUFIDR-GFCCVEGCSA-N 1 2 354.790 2.260 20 5 FEBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCOC[C@H](O)C2)cc1OC ZINC000451231435 560294640 /nfs/dbraw/zinc/29/46/40/560294640.db2.gz CRBIKPSTORNSAU-UKRRQHHQSA-N 1 2 368.430 2.221 20 5 FEBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCOC[C@H](O)C2)cc1OC ZINC000451231435 560294641 /nfs/dbraw/zinc/29/46/41/560294641.db2.gz CRBIKPSTORNSAU-UKRRQHHQSA-N 1 2 368.430 2.221 20 5 FEBDLO CCOC(=O)[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000451306544 560299230 /nfs/dbraw/zinc/29/92/30/560299230.db2.gz SLAYFVUATVJVDE-LBPRGKRZSA-N 1 2 372.381 2.337 20 5 FEBDLO CCO[C@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1C ZINC000451535629 560312927 /nfs/dbraw/zinc/31/29/27/560312927.db2.gz YTVNIIHEZGMWMH-RISCZKNCSA-N 1 2 365.386 2.009 20 5 FEBDLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1C ZINC000451535629 560312928 /nfs/dbraw/zinc/31/29/28/560312928.db2.gz YTVNIIHEZGMWMH-RISCZKNCSA-N 1 2 365.386 2.009 20 5 FEBDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000451927703 560338194 /nfs/dbraw/zinc/33/81/94/560338194.db2.gz KTINUMKZMCGYDQ-LBPRGKRZSA-N 1 2 352.416 2.468 20 5 FEBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000451936326 560339153 /nfs/dbraw/zinc/33/91/53/560339153.db2.gz UJTYDULRMSBSJK-LLVKDONJSA-N 1 2 361.851 2.353 20 5 FEBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000451936326 560339154 /nfs/dbraw/zinc/33/91/54/560339154.db2.gz UJTYDULRMSBSJK-LLVKDONJSA-N 1 2 361.851 2.353 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000451944569 560339770 /nfs/dbraw/zinc/33/97/70/560339770.db2.gz GIBWDEKNCIEMCY-NEPJUHHUSA-N 1 2 350.400 2.392 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000451970214 560341417 /nfs/dbraw/zinc/34/14/17/560341417.db2.gz LIOBNILXLUZGIG-CYBMUJFWSA-N 1 2 355.460 2.262 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000453984695 560419499 /nfs/dbraw/zinc/41/94/99/560419499.db2.gz UDHSKLCZHKYRCJ-YGRLFVJLSA-N 1 2 357.370 2.114 20 5 FEBDLO CNc1nc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000456018794 560504798 /nfs/dbraw/zinc/50/47/98/560504798.db2.gz RPPLWOGEPVKDBL-UHFFFAOYSA-N 1 2 373.388 2.129 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000456364462 560517512 /nfs/dbraw/zinc/51/75/12/560517512.db2.gz CQGGLOIOHCOTRS-FVQBIDKESA-N 1 2 370.409 2.404 20 5 FEBDLO Cc1cc(C)c(CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c[nH+]1 ZINC000456833118 560534067 /nfs/dbraw/zinc/53/40/67/560534067.db2.gz GPFRVMLPHXTBSP-CQSZACIVSA-N 1 2 372.381 2.121 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)c([N+](=O)[O-])c1 ZINC000459666124 560701188 /nfs/dbraw/zinc/70/11/88/560701188.db2.gz GUKZHBSJLSVUAM-BBRMVZONSA-N 1 2 361.398 2.043 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)c([N+](=O)[O-])c1 ZINC000459666124 560701190 /nfs/dbraw/zinc/70/11/90/560701190.db2.gz GUKZHBSJLSVUAM-BBRMVZONSA-N 1 2 361.398 2.043 20 5 FEBDLO CCOC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000459710978 560703648 /nfs/dbraw/zinc/70/36/48/560703648.db2.gz LQDAMKXCEYCNSS-CYBMUJFWSA-N 1 2 351.403 2.433 20 5 FEBDLO CCOC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000459710978 560703649 /nfs/dbraw/zinc/70/36/49/560703649.db2.gz LQDAMKXCEYCNSS-CYBMUJFWSA-N 1 2 351.403 2.433 20 5 FEBDLO C[NH+]1CCN(Cc2cccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])c2)CC1 ZINC000469637079 560960468 /nfs/dbraw/zinc/96/04/68/560960468.db2.gz HCKGCTKIDRRZFS-UHFFFAOYSA-N 1 2 370.409 2.300 20 5 FEBDLO CCN(CC)C(=O)CN1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470173773 560975970 /nfs/dbraw/zinc/97/59/70/560975970.db2.gz FIGZQVMEKLSOFS-GHRIWEEISA-N 1 2 374.485 2.484 20 5 FEBDLO CCN(CC)C(=O)C[NH+]1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470173773 560975971 /nfs/dbraw/zinc/97/59/71/560975971.db2.gz FIGZQVMEKLSOFS-GHRIWEEISA-N 1 2 374.485 2.484 20 5 FEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(CC(=O)NC(C)C)CC1 ZINC000470169822 560976051 /nfs/dbraw/zinc/97/60/51/560976051.db2.gz KNOYRZNJRSWZQJ-WJDWOHSUSA-N 1 2 360.458 2.140 20 5 FEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000470169822 560976052 /nfs/dbraw/zinc/97/60/52/560976052.db2.gz KNOYRZNJRSWZQJ-WJDWOHSUSA-N 1 2 360.458 2.140 20 5 FEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(CC(=O)NC(C)C)CC1 ZINC000470169821 560976055 /nfs/dbraw/zinc/97/60/55/560976055.db2.gz KNOYRZNJRSWZQJ-LFIBNONCSA-N 1 2 360.458 2.140 20 5 FEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000470169821 560976056 /nfs/dbraw/zinc/97/60/56/560976056.db2.gz KNOYRZNJRSWZQJ-LFIBNONCSA-N 1 2 360.458 2.140 20 5 FEBDLO CCN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000471086438 560997939 /nfs/dbraw/zinc/99/79/39/560997939.db2.gz RWKIGJSCOSLLLP-OAHLLOKOSA-N 1 2 355.402 2.073 20 5 FEBDLO COC(=O)COc1ccc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000475110091 561090782 /nfs/dbraw/zinc/09/07/82/561090782.db2.gz NGFJFUCXJLBTRM-CYBMUJFWSA-N 1 2 360.370 2.207 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000532576106 562482111 /nfs/dbraw/zinc/48/21/11/562482111.db2.gz DSDMHYSOEUGBCB-KGLIPLIRSA-N 1 2 360.414 2.009 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000532576106 562482112 /nfs/dbraw/zinc/48/21/12/562482112.db2.gz DSDMHYSOEUGBCB-KGLIPLIRSA-N 1 2 360.414 2.009 20 5 FEBDLO CCCc1n[nH]c(C(=O)N2CC[NH+](Cc3ccsc3)CC2)c1[N+](=O)[O-] ZINC000535258992 562554275 /nfs/dbraw/zinc/55/42/75/562554275.db2.gz AJNHOUGXBYZFPC-UHFFFAOYSA-N 1 2 363.443 2.290 20 5 FEBDLO CC(C)Oc1nc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000568415516 568032033 /nfs/dbraw/zinc/03/20/33/568032033.db2.gz WDUHSBFMFFQGBG-UONOGXRCSA-N 1 2 350.419 2.076 20 5 FEBDLO Cc1cccn2cc(CCNc3ccc(-c4nn[nH]n4)c([N+](=O)[O-])c3)[nH+]c12 ZINC000822366487 607348560 /nfs/dbraw/zinc/34/85/60/607348560.db2.gz JRWRWHMJDXQEIR-UHFFFAOYSA-N 1 2 364.369 2.386 20 5 FEBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000823629987 599386391 /nfs/dbraw/zinc/38/63/91/599386391.db2.gz OVOQRLLROONQTN-UHFFFAOYSA-N 1 2 371.426 2.159 20 5 FEBDLO C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000737515459 600498416 /nfs/dbraw/zinc/49/84/16/600498416.db2.gz WPEJEDOWQPSANJ-QTLSWZBMSA-N 1 2 374.441 2.273 20 5 FEBDLO C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000737515459 600498417 /nfs/dbraw/zinc/49/84/17/600498417.db2.gz WPEJEDOWQPSANJ-QTLSWZBMSA-N 1 2 374.441 2.273 20 5 FEBDLO O=[N+]([O-])c1ccc(NCCc2cn3ccccc3[nH+]2)cc1-c1nn[nH]n1 ZINC000826498680 607451418 /nfs/dbraw/zinc/45/14/18/607451418.db2.gz FKBJDAPWKWTDEQ-UHFFFAOYSA-N 1 2 350.342 2.077 20 5 FEBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1ccc(F)cc1-c1nn[nH]n1)C2 ZINC000826500139 607943301 /nfs/dbraw/zinc/94/33/01/607943301.db2.gz MMPXNYLSZPUMCE-UHFFFAOYSA-N 1 2 354.345 2.472 20 5 FEBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1ccc(F)cc1-c1nn[nH]n1)C2 ZINC000826500139 607943302 /nfs/dbraw/zinc/94/33/02/607943302.db2.gz MMPXNYLSZPUMCE-UHFFFAOYSA-N 1 2 354.345 2.472 20 5 FEBDLO C[C@H](CC[S@](C)=O)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000560545970 674598585 /nfs/dbraw/zinc/59/85/85/674598585.db2.gz RJXFYHXTYCIZGP-PIQRMGSASA-N 1 2 350.444 2.164 20 5 FEBDLO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814976003 674890930 /nfs/dbraw/zinc/89/09/30/674890930.db2.gz ATPXQTIBQUCCOB-SECBINFHSA-N 1 2 365.814 2.150 20 5 FEBDLO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814976003 674890932 /nfs/dbraw/zinc/89/09/32/674890932.db2.gz ATPXQTIBQUCCOB-SECBINFHSA-N 1 2 365.814 2.150 20 5 FEBDLO Cc1cc(C[N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000817415767 675131076 /nfs/dbraw/zinc/13/10/76/675131076.db2.gz YNNYEZWILRYBET-UHFFFAOYSA-N 1 2 367.427 2.215 20 5 FEBDLO Cc1cc(C[N@@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000817415767 675131078 /nfs/dbraw/zinc/13/10/78/675131078.db2.gz YNNYEZWILRYBET-UHFFFAOYSA-N 1 2 367.427 2.215 20 5 FEBDLO O=[N+]([O-])c1ccc(OCCNc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000575820427 671323584 /nfs/dbraw/zinc/32/35/84/671323584.db2.gz QPFQNUZXCFPICN-UHFFFAOYSA-N 1 2 361.427 2.429 20 5 FEBDLO O=[N+]([O-])c1ccc(OCCNc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000575820427 671323586 /nfs/dbraw/zinc/32/35/86/671323586.db2.gz QPFQNUZXCFPICN-UHFFFAOYSA-N 1 2 361.427 2.429 20 5 FEBDLO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000170953026 672327812 /nfs/dbraw/zinc/32/78/12/672327812.db2.gz WLDXZPPTDUGILY-LBPRGKRZSA-N 1 2 353.423 2.374 20 5 FEBDLO CC1(C)C[N@H+](CCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000171227392 672330677 /nfs/dbraw/zinc/33/06/77/672330677.db2.gz HKQHTQUFLGYSBI-UHFFFAOYSA-N 1 2 356.810 2.481 20 5 FEBDLO CC1(C)C[N@@H+](CCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000171227392 672330682 /nfs/dbraw/zinc/33/06/82/672330682.db2.gz HKQHTQUFLGYSBI-UHFFFAOYSA-N 1 2 356.810 2.481 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000592134167 672762378 /nfs/dbraw/zinc/76/23/78/672762378.db2.gz SBCXWNNKXPBGCB-CQSZACIVSA-N 1 2 351.403 2.431 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000592134167 672762381 /nfs/dbraw/zinc/76/23/81/672762381.db2.gz SBCXWNNKXPBGCB-CQSZACIVSA-N 1 2 351.403 2.431 20 5 FEBDLO C[C@@H](CNC(=O)CSc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594097804 673030720 /nfs/dbraw/zinc/03/07/20/673030720.db2.gz CIIGENXSTJBLJX-MELADBBJSA-N 1 2 367.471 2.301 20 5 FEBDLO C[C@@H](CNC(=O)CSc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594097804 673030725 /nfs/dbraw/zinc/03/07/25/673030725.db2.gz CIIGENXSTJBLJX-MELADBBJSA-N 1 2 367.471 2.301 20 5 FEBDLO C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594400368 673067642 /nfs/dbraw/zinc/06/76/42/673067642.db2.gz BGEDBXYHSPWFOB-SDDRHHMPSA-N 1 2 355.822 2.476 20 5 FEBDLO C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594400368 673067648 /nfs/dbraw/zinc/06/76/48/673067648.db2.gz BGEDBXYHSPWFOB-SDDRHHMPSA-N 1 2 355.822 2.476 20 5 FEBDLO O=C1CC[C@@H]2C[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595728208 673286327 /nfs/dbraw/zinc/28/63/27/673286327.db2.gz LRVHMZRNOYBPCV-MFKMUULPSA-N 1 2 368.231 2.458 20 5 FEBDLO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595728208 673286330 /nfs/dbraw/zinc/28/63/30/673286330.db2.gz LRVHMZRNOYBPCV-MFKMUULPSA-N 1 2 368.231 2.458 20 5 FEBDLO C[C@H]1C[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)CO1 ZINC000596454207 673386382 /nfs/dbraw/zinc/38/63/82/673386382.db2.gz PPRCYXKBCUHTRE-QWRGUYRKSA-N 1 2 356.810 2.479 20 5 FEBDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)CO1 ZINC000596454207 673386386 /nfs/dbraw/zinc/38/63/86/673386386.db2.gz PPRCYXKBCUHTRE-QWRGUYRKSA-N 1 2 356.810 2.479 20 5 FEBDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)[C@H](C)CO1 ZINC000597092017 673446445 /nfs/dbraw/zinc/44/64/45/673446445.db2.gz IKZHYSLMLPNDIL-NXEZZACHSA-N 1 2 371.825 2.061 20 5 FEBDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)[C@H](C)CO1 ZINC000597092017 673446446 /nfs/dbraw/zinc/44/64/46/673446446.db2.gz IKZHYSLMLPNDIL-NXEZZACHSA-N 1 2 371.825 2.061 20 5 FEBDLO COc1c(C)c[nH+]c(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000734494489 673465190 /nfs/dbraw/zinc/46/51/90/673465190.db2.gz IQRZVNIRQQEXFK-UHFFFAOYSA-N 1 2 365.411 2.402 20 5 FEBDLO CSc1ccc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000598000968 673529018 /nfs/dbraw/zinc/52/90/18/673529018.db2.gz WLCXETOTNLPQJB-NWDGAFQWSA-N 1 2 353.444 2.156 20 5 FEBDLO CSc1ccc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000598000968 673529020 /nfs/dbraw/zinc/52/90/20/673529020.db2.gz WLCXETOTNLPQJB-NWDGAFQWSA-N 1 2 353.444 2.156 20 5 FEBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000601155852 673829620 /nfs/dbraw/zinc/82/96/20/673829620.db2.gz IGIRALYTYFKQKD-SNVBAGLBSA-N 1 2 357.292 2.400 20 5 FEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000763079542 680771475 /nfs/dbraw/zinc/77/14/75/680771475.db2.gz OEWPLPXYVYGPGZ-UHFFFAOYSA-N 1 2 351.794 2.324 20 5 FEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000763079542 680771476 /nfs/dbraw/zinc/77/14/76/680771476.db2.gz OEWPLPXYVYGPGZ-UHFFFAOYSA-N 1 2 351.794 2.324 20 5 FEBDLO C[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000840155709 680803074 /nfs/dbraw/zinc/80/30/74/680803074.db2.gz VVZNVENNSTUGMD-STQMWFEESA-N 1 2 353.423 2.232 20 5 FEBDLO C[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000840155709 680803075 /nfs/dbraw/zinc/80/30/75/680803075.db2.gz VVZNVENNSTUGMD-STQMWFEESA-N 1 2 353.423 2.232 20 5 FEBDLO CC(C)(C)c1csc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001002788724 680508307 /nfs/dbraw/zinc/50/83/07/680508307.db2.gz PPUMUWVRFDUNOT-CHWSQXEVSA-N 1 2 366.487 2.186 20 5 FEBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841615146 680903633 /nfs/dbraw/zinc/90/36/33/680903633.db2.gz WUAFTSUESQXNBV-UHFFFAOYSA-N 1 2 356.810 2.481 20 5 FEBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857983673 682929586 /nfs/dbraw/zinc/92/95/86/682929586.db2.gz BTLRPWDPYJJAKL-GXSJLCMTSA-N 1 2 350.762 2.473 20 5 FEBDLO C[N@@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C(C)(C)C1 ZINC000795902636 683105983 /nfs/dbraw/zinc/10/59/83/683105983.db2.gz GCIQHZJCRCWHTA-UHFFFAOYSA-N 1 2 365.814 2.102 20 5 FEBDLO C[N@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C(C)(C)C1 ZINC000795902636 683105987 /nfs/dbraw/zinc/10/59/87/683105987.db2.gz GCIQHZJCRCWHTA-UHFFFAOYSA-N 1 2 365.814 2.102 20 5 FEBDLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000860196620 683214624 /nfs/dbraw/zinc/21/46/24/683214624.db2.gz FDMAXICNTUKTHY-NSHDSACASA-N 1 2 361.851 2.009 20 5 FEBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000860196620 683214628 /nfs/dbraw/zinc/21/46/28/683214628.db2.gz FDMAXICNTUKTHY-NSHDSACASA-N 1 2 361.851 2.009 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](c3ccccn3)C2)cc1 ZINC000799192912 683435694 /nfs/dbraw/zinc/43/56/94/683435694.db2.gz FBXDPLQFYJKEIK-AWEZNQCLSA-N 1 2 361.423 2.253 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](c3ccccn3)C2)cc1 ZINC000799192912 683435705 /nfs/dbraw/zinc/43/57/05/683435705.db2.gz FBXDPLQFYJKEIK-AWEZNQCLSA-N 1 2 361.423 2.253 20 5 FEBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000921806626 683580054 /nfs/dbraw/zinc/58/00/54/683580054.db2.gz KNUHYQXRIBLEMB-KBPBESRZSA-N 1 2 350.419 2.066 20 5 FEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864883446 683904635 /nfs/dbraw/zinc/90/46/35/683904635.db2.gz BUVJLBCBMLIMAE-JTQLQIEISA-N 1 2 367.203 2.301 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1F ZINC000866732435 684141173 /nfs/dbraw/zinc/14/11/73/684141173.db2.gz SJIBCCWDOXXQLB-LBPRGKRZSA-N 1 2 368.390 2.265 20 5 FEBDLO CONC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000877786413 686457641 /nfs/dbraw/zinc/45/76/41/686457641.db2.gz GMDIPYHMLBYGPK-UHFFFAOYSA-N 1 2 359.329 2.086 20 5 FEBDLO NC(=O)C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCOCC1 ZINC000880395142 687043975 /nfs/dbraw/zinc/04/39/75/687043975.db2.gz IGGDWRJDBRUPAZ-UHFFFAOYSA-N 1 2 362.213 2.368 20 5 FEBDLO NC(=O)C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCOCC1 ZINC000880395142 687043980 /nfs/dbraw/zinc/04/39/80/687043980.db2.gz IGGDWRJDBRUPAZ-UHFFFAOYSA-N 1 2 362.213 2.368 20 5 FEBDLO Cc1nn(C[N@@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)cc1[N+](=O)[O-] ZINC000902619815 690787665 /nfs/dbraw/zinc/78/76/65/690787665.db2.gz VJOXNDLOFLGDAV-SNVBAGLBSA-N 1 2 356.308 2.356 20 5 FEBDLO Cc1nn(C[N@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)cc1[N+](=O)[O-] ZINC000902619815 690787668 /nfs/dbraw/zinc/78/76/68/690787668.db2.gz VJOXNDLOFLGDAV-SNVBAGLBSA-N 1 2 356.308 2.356 20 5 FEBDLO CC(C)NC(=O)c1ccc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000004660402 539389508 /nfs/dbraw/zinc/38/95/08/539389508.db2.gz QUMSKRSVCMQMAH-UHFFFAOYSA-N 1 2 369.425 2.455 20 5 FEBDLO CSc1ccc(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000025327352 539756366 /nfs/dbraw/zinc/75/63/66/539756366.db2.gz RILWEKLBWAKTHQ-OAHLLOKOSA-N 1 2 367.471 2.403 20 5 FEBDLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000025912555 539772996 /nfs/dbraw/zinc/77/29/96/539772996.db2.gz NAKPWYFCAPNBNL-CYBMUJFWSA-N 1 2 360.370 2.420 20 5 FEBDLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000025912555 539773000 /nfs/dbraw/zinc/77/30/00/539773000.db2.gz NAKPWYFCAPNBNL-CYBMUJFWSA-N 1 2 360.370 2.420 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(F)cc4c3OCOC4)CC2)cn1 ZINC000026490180 539788125 /nfs/dbraw/zinc/78/81/25/539788125.db2.gz PROJOUYJEWRINI-UHFFFAOYSA-N 1 2 374.372 2.318 20 5 FEBDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])s1 ZINC000027673699 539814628 /nfs/dbraw/zinc/81/46/28/539814628.db2.gz HDVLVGSUVOZFIV-CQSZACIVSA-N 1 2 361.423 2.287 20 5 FEBDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])s1 ZINC000027673699 539814632 /nfs/dbraw/zinc/81/46/32/539814632.db2.gz HDVLVGSUVOZFIV-CQSZACIVSA-N 1 2 361.423 2.287 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000038733344 540000249 /nfs/dbraw/zinc/00/02/49/540000249.db2.gz ZLLSTAAMFBYQIO-UHFFFAOYSA-N 1 2 369.421 2.286 20 5 FEBDLO CCC[C@](C)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OC ZINC000041811841 540034552 /nfs/dbraw/zinc/03/45/52/540034552.db2.gz UTKNMRLCIDGZMM-KRWDZBQOSA-N 1 2 360.370 2.242 20 5 FEBDLO O=C(NC1CCC2(CC1)OCCO2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000046187736 540247159 /nfs/dbraw/zinc/24/71/59/540247159.db2.gz PARRTVONOSKALO-UHFFFAOYSA-N 1 2 372.381 2.196 20 5 FEBDLO O=C(C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)NCC1CCCCC1 ZINC000047743251 540326858 /nfs/dbraw/zinc/32/68/58/540326858.db2.gz XRYLTAJMPHMALJ-UHFFFAOYSA-N 1 2 360.458 2.413 20 5 FEBDLO Cc1c(C[NH+]2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000051210586 540426432 /nfs/dbraw/zinc/42/64/32/540426432.db2.gz IJQGZSASARPCHJ-INIZCTEOSA-N 1 2 374.485 2.422 20 5 FEBDLO Cc1c(CN2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000051210586 540426434 /nfs/dbraw/zinc/42/64/34/540426434.db2.gz IJQGZSASARPCHJ-INIZCTEOSA-N 1 2 374.485 2.422 20 5 FEBDLO Cc1nn(C)c(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000051621613 540439742 /nfs/dbraw/zinc/43/97/42/540439742.db2.gz DIHRQCDKFOHORG-UHFFFAOYSA-N 1 2 372.429 2.152 20 5 FEBDLO O=C(C[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)N1CCCCCC1 ZINC000052685213 540482173 /nfs/dbraw/zinc/48/21/73/540482173.db2.gz UXDRKCGDNPKNSD-UHFFFAOYSA-N 1 2 360.458 2.115 20 5 FEBDLO O=C(CN1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)N1CCCCCC1 ZINC000052685213 540482175 /nfs/dbraw/zinc/48/21/75/540482175.db2.gz UXDRKCGDNPKNSD-UHFFFAOYSA-N 1 2 360.458 2.115 20 5 FEBDLO CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000052868586 540496436 /nfs/dbraw/zinc/49/64/36/540496436.db2.gz IVMULGGFACUSJW-STQMWFEESA-N 1 2 364.402 2.132 20 5 FEBDLO CCOC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000052868586 540496438 /nfs/dbraw/zinc/49/64/38/540496438.db2.gz IVMULGGFACUSJW-STQMWFEESA-N 1 2 364.402 2.132 20 5 FEBDLO Cc1noc([C@@H]2CCC[N@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)n1 ZINC000054677357 540602063 /nfs/dbraw/zinc/60/20/63/540602063.db2.gz PLPLSIANFJQAIP-CYBMUJFWSA-N 1 2 359.386 2.413 20 5 FEBDLO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)n1 ZINC000054677357 540602065 /nfs/dbraw/zinc/60/20/65/540602065.db2.gz PLPLSIANFJQAIP-CYBMUJFWSA-N 1 2 359.386 2.413 20 5 FEBDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cn2c1 ZINC000055296255 540644747 /nfs/dbraw/zinc/64/47/47/540644747.db2.gz QQWQPYDUDJWESS-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO CCCNC(=O)CN(CCC)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055826723 540680192 /nfs/dbraw/zinc/68/01/92/540680192.db2.gz YCLAGLIUBRSLFI-UHFFFAOYSA-N 1 2 373.413 2.159 20 5 FEBDLO O=C(NCCNc1cccc[nH+]1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000063704932 541179920 /nfs/dbraw/zinc/17/99/20/541179920.db2.gz PPMQYBFOXAPSRH-UHFFFAOYSA-N 1 2 352.354 2.017 20 5 FEBDLO C[C@H](Sc1ncccc1[N+](=O)[O-])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000065692804 541253720 /nfs/dbraw/zinc/25/37/20/541253720.db2.gz VMFLYIUTYMYCEH-ZDUSSCGKSA-N 1 2 373.438 2.214 20 5 FEBDLO Cc1nn(CCC(=O)NCc2cn3c(cccc3C)[nH+]2)c(C)c1[N+](=O)[O-] ZINC000068571598 541611636 /nfs/dbraw/zinc/61/16/36/541611636.db2.gz NRKVSYCYSCDLIT-UHFFFAOYSA-N 1 2 356.386 2.071 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000068944164 541643544 /nfs/dbraw/zinc/64/35/44/541643544.db2.gz GANDCHIVPIMZTB-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO CCn1cc(C[N@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000072989282 541904446 /nfs/dbraw/zinc/90/44/46/541904446.db2.gz SRXZWQGOVYGIRV-GFCCVEGCSA-N 1 2 361.402 2.279 20 5 FEBDLO CCn1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000072989282 541904449 /nfs/dbraw/zinc/90/44/49/541904449.db2.gz SRXZWQGOVYGIRV-GFCCVEGCSA-N 1 2 361.402 2.279 20 5 FEBDLO NC(=O)c1ccc(NC2CC[NH+](Cc3cscn3)CC2)c([N+](=O)[O-])c1 ZINC000075722081 542201559 /nfs/dbraw/zinc/20/15/59/542201559.db2.gz IPRVIXYELRXRBQ-UHFFFAOYSA-N 1 2 361.427 2.227 20 5 FEBDLO O=C(NCCNc1cccc[nH+]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000076403244 542274119 /nfs/dbraw/zinc/27/41/19/542274119.db2.gz LROJTTXABSTVBW-UHFFFAOYSA-N 1 2 352.354 2.017 20 5 FEBDLO Cc1c(NC(=O)CC[N@H+]2CC[S@@](=O)[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000076820402 542323653 /nfs/dbraw/zinc/32/36/53/542323653.db2.gz HWETWUHPGIXXFI-TXNHMLTKSA-N 1 2 353.444 2.073 20 5 FEBDLO Cc1c(NC(=O)CC[N@@H+]2CC[S@@](=O)[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000076820402 542323656 /nfs/dbraw/zinc/32/36/56/542323656.db2.gz HWETWUHPGIXXFI-TXNHMLTKSA-N 1 2 353.444 2.073 20 5 FEBDLO CCC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000077389562 542377294 /nfs/dbraw/zinc/37/72/94/542377294.db2.gz JRUSWNRSDXICBU-AWEZNQCLSA-N 1 2 362.430 2.175 20 5 FEBDLO CCC(=O)N1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000077389562 542377296 /nfs/dbraw/zinc/37/72/96/542377296.db2.gz JRUSWNRSDXICBU-AWEZNQCLSA-N 1 2 362.430 2.175 20 5 FEBDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000057364205 132303860 /nfs/dbraw/zinc/30/38/60/132303860.db2.gz QYWANNWBYLKBSH-HOTGVXAUSA-N 1 2 360.458 2.221 20 5 FEBDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000088757803 542756245 /nfs/dbraw/zinc/75/62/45/542756245.db2.gz AVXFCBKVHSRKDU-ZDUSSCGKSA-N 1 2 366.849 2.381 20 5 FEBDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000088757804 542756370 /nfs/dbraw/zinc/75/63/70/542756370.db2.gz AVXFCBKVHSRKDU-CYBMUJFWSA-N 1 2 366.849 2.381 20 5 FEBDLO CC[C@H](C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)OC(C)(C)C ZINC000090565261 542786734 /nfs/dbraw/zinc/78/67/34/542786734.db2.gz JIOIMYKKSKRGLY-ZDUSSCGKSA-N 1 2 353.419 2.199 20 5 FEBDLO CC[C@H](C)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)OC(C)(C)C ZINC000090565261 542786737 /nfs/dbraw/zinc/78/67/37/542786737.db2.gz JIOIMYKKSKRGLY-ZDUSSCGKSA-N 1 2 353.419 2.199 20 5 FEBDLO COc1ccc(-c2ccc(C[N@@H+]3C[C@@H](CO)OC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000092042009 542840399 /nfs/dbraw/zinc/84/03/99/542840399.db2.gz JKGOKOSPFNYFBD-WFASDCNBSA-N 1 2 362.382 2.445 20 5 FEBDLO COc1ccc(-c2ccc(C[N@H+]3C[C@@H](CO)OC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000092042009 542840401 /nfs/dbraw/zinc/84/04/01/542840401.db2.gz JKGOKOSPFNYFBD-WFASDCNBSA-N 1 2 362.382 2.445 20 5 FEBDLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092189337 542848205 /nfs/dbraw/zinc/84/82/05/542848205.db2.gz CLIXCHQSLAGGKQ-CYBMUJFWSA-N 1 2 370.356 2.186 20 5 FEBDLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092189337 542848206 /nfs/dbraw/zinc/84/82/06/542848206.db2.gz CLIXCHQSLAGGKQ-CYBMUJFWSA-N 1 2 370.356 2.186 20 5 FEBDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112078735 543430091 /nfs/dbraw/zinc/43/00/91/543430091.db2.gz FKKLIORXZPRLCH-UHFFFAOYSA-N 1 2 358.398 2.218 20 5 FEBDLO CCOC(=O)C[N@H+]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112078735 543430094 /nfs/dbraw/zinc/43/00/94/543430094.db2.gz FKKLIORXZPRLCH-UHFFFAOYSA-N 1 2 358.398 2.218 20 5 FEBDLO COCCCOC1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000122702945 543718945 /nfs/dbraw/zinc/71/89/45/543718945.db2.gz QEHHISCDVHVDAI-UHFFFAOYSA-N 1 2 365.430 2.359 20 5 FEBDLO COc1cc(C[N@H+](C)[C@H](C)C[S@@](C)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000126345244 543931391 /nfs/dbraw/zinc/93/13/91/543931391.db2.gz ZYHKBUYEXSMNNM-ITSYKEIMSA-N 1 2 366.386 2.404 20 5 FEBDLO COc1cc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000126345244 543931393 /nfs/dbraw/zinc/93/13/93/543931393.db2.gz ZYHKBUYEXSMNNM-ITSYKEIMSA-N 1 2 366.386 2.404 20 5 FEBDLO CC1CCN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)c[nH+]2)CC1 ZINC000127791367 544014346 /nfs/dbraw/zinc/01/43/46/544014346.db2.gz GQGZEPUJXOTUHB-UHFFFAOYSA-N 1 2 371.397 2.257 20 5 FEBDLO Cn1cnnc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129645764 544121751 /nfs/dbraw/zinc/12/17/51/544121751.db2.gz JDMKNRJLTODYIU-CQSZACIVSA-N 1 2 362.365 2.028 20 5 FEBDLO Cn1cnnc1[C@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129645764 544121752 /nfs/dbraw/zinc/12/17/52/544121752.db2.gz JDMKNRJLTODYIU-CQSZACIVSA-N 1 2 362.365 2.028 20 5 FEBDLO CCOC(=O)c1ccnc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000134025050 544291766 /nfs/dbraw/zinc/29/17/66/544291766.db2.gz ANZUKDYWCNPMSP-TZMCWYRMSA-N 1 2 359.386 2.451 20 5 FEBDLO COc1cc(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000152482988 544659402 /nfs/dbraw/zinc/65/94/02/544659402.db2.gz UDTRADSLAMWBSZ-CQSZACIVSA-N 1 2 356.382 2.397 20 5 FEBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000182474569 327776956 /nfs/dbraw/zinc/77/69/56/327776956.db2.gz UAESDALLQUJCRI-LBPRGKRZSA-N 1 2 372.381 2.152 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3c[nH+]ccc32)c2ncccc12 ZINC000185829963 327934770 /nfs/dbraw/zinc/93/47/70/327934770.db2.gz IXBQNEDMIKIDCG-UHFFFAOYSA-N 1 2 356.363 2.289 20 5 FEBDLO COCCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000189740416 328165517 /nfs/dbraw/zinc/16/55/17/328165517.db2.gz GKDFXAGLAKSOPD-AAEUAGOBSA-N 1 2 371.821 2.313 20 5 FEBDLO COCCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000189740416 328165519 /nfs/dbraw/zinc/16/55/19/328165519.db2.gz GKDFXAGLAKSOPD-AAEUAGOBSA-N 1 2 371.821 2.313 20 5 FEBDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000191855724 328285262 /nfs/dbraw/zinc/28/52/62/328285262.db2.gz ZJZFNAFMXSIENK-JQWIXIFHSA-N 1 2 369.805 2.318 20 5 FEBDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000191855724 328285263 /nfs/dbraw/zinc/28/52/63/328285263.db2.gz ZJZFNAFMXSIENK-JQWIXIFHSA-N 1 2 369.805 2.318 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193578128 328383253 /nfs/dbraw/zinc/38/32/53/328383253.db2.gz ICAJXHYKZWHORJ-GFCCVEGCSA-N 1 2 359.386 2.145 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193578128 328383254 /nfs/dbraw/zinc/38/32/54/328383254.db2.gz ICAJXHYKZWHORJ-GFCCVEGCSA-N 1 2 359.386 2.145 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000016483879 324386153 /nfs/dbraw/zinc/38/61/53/324386153.db2.gz GEUHSXHRBHYWFV-AWEZNQCLSA-N 1 2 355.398 2.139 20 5 FEBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000057005752 324818519 /nfs/dbraw/zinc/81/85/19/324818519.db2.gz SGWMILANQKFKBW-UHFFFAOYSA-N 1 2 355.398 2.017 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089969383 325346641 /nfs/dbraw/zinc/34/66/41/325346641.db2.gz AXBRLOILCPLVGV-SNVBAGLBSA-N 1 2 361.320 2.311 20 5 FEBDLO COCCCOCC[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000091102810 325374826 /nfs/dbraw/zinc/37/48/26/325374826.db2.gz HLONDNPNYYDZMO-UHFFFAOYSA-N 1 2 359.810 2.172 20 5 FEBDLO COCCCOCC[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000091102810 325374828 /nfs/dbraw/zinc/37/48/28/325374828.db2.gz HLONDNPNYYDZMO-UHFFFAOYSA-N 1 2 359.810 2.172 20 5 FEBDLO CCc1nn(C)c(Cl)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000112556928 325791459 /nfs/dbraw/zinc/79/14/59/325791459.db2.gz AGPKPKMWTOUZFF-UHFFFAOYSA-N 1 2 364.837 2.261 20 5 FEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000119374351 326155176 /nfs/dbraw/zinc/15/51/76/326155176.db2.gz OWFKOHXKMYIOQH-LBPRGKRZSA-N 1 2 373.862 2.248 20 5 FEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000119374351 326155179 /nfs/dbraw/zinc/15/51/79/326155179.db2.gz OWFKOHXKMYIOQH-LBPRGKRZSA-N 1 2 373.862 2.248 20 5 FEBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000119702433 326189478 /nfs/dbraw/zinc/18/94/78/326189478.db2.gz BPHYZFSQCZEBEQ-UHFFFAOYSA-N 1 2 358.402 2.034 20 5 FEBDLO CN(CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1[N+](=O)[O-] ZINC000121149957 326317265 /nfs/dbraw/zinc/31/72/65/326317265.db2.gz IHRCMDQTZJHQEC-OAHLLOKOSA-N 1 2 356.382 2.106 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000121448899 326339531 /nfs/dbraw/zinc/33/95/31/326339531.db2.gz SRFXMBKQWXEDOA-GFCCVEGCSA-N 1 2 354.363 2.373 20 5 FEBDLO CN(C)c1[nH+]cccc1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000122140482 326385636 /nfs/dbraw/zinc/38/56/36/326385636.db2.gz QEZXHXUDPNIMIZ-UHFFFAOYSA-N 1 2 355.398 2.324 20 5 FEBDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000122479094 326398458 /nfs/dbraw/zinc/39/84/58/326398458.db2.gz MXAGIMHFDXBEHQ-UHFFFAOYSA-N 1 2 358.398 2.466 20 5 FEBDLO C[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000153791682 326742945 /nfs/dbraw/zinc/74/29/45/326742945.db2.gz IDKXFCGGISLYRO-CYBMUJFWSA-N 1 2 354.370 2.043 20 5 FEBDLO CC1(C)C[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000171165228 327121920 /nfs/dbraw/zinc/12/19/20/327121920.db2.gz DNIFITNDYACHPD-UHFFFAOYSA-N 1 2 356.810 2.481 20 5 FEBDLO CC1(C)C[N@@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000171165228 327121921 /nfs/dbraw/zinc/12/19/21/327121921.db2.gz DNIFITNDYACHPD-UHFFFAOYSA-N 1 2 356.810 2.481 20 5 FEBDLO C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000248713803 328736741 /nfs/dbraw/zinc/73/67/41/328736741.db2.gz DSEUSTJBVRNLPQ-IUODEOHRSA-N 1 2 350.400 2.063 20 5 FEBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000264060231 328989166 /nfs/dbraw/zinc/98/91/66/328989166.db2.gz CNXQBPBKLGTKRO-UHFFFAOYSA-N 1 2 371.319 2.424 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)c1noc(C)n1 ZINC000264331181 329010836 /nfs/dbraw/zinc/01/08/36/329010836.db2.gz PMXOPOSEIXFOSM-UHFFFAOYSA-N 1 2 363.374 2.148 20 5 FEBDLO CCc1cc(NCCN2C(=O)CCC2=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000265066990 329087430 /nfs/dbraw/zinc/08/74/30/329087430.db2.gz OEVNIUNWCTZQMK-UHFFFAOYSA-N 1 2 369.381 2.175 20 5 FEBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000265307958 329112790 /nfs/dbraw/zinc/11/27/90/329112790.db2.gz QGLVZBYBCGTNCE-HNNXBMFYSA-N 1 2 369.425 2.307 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000265926872 329173507 /nfs/dbraw/zinc/17/35/07/329173507.db2.gz DTANHUUHPPRBIN-AWEZNQCLSA-N 1 2 370.409 2.450 20 5 FEBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000266299118 329209248 /nfs/dbraw/zinc/20/92/48/329209248.db2.gz DLGVCSGTZQJTID-HNNXBMFYSA-N 1 2 359.382 2.278 20 5 FEBDLO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccncc1 ZINC000267871489 329364423 /nfs/dbraw/zinc/36/44/23/329364423.db2.gz CWLOCXKSHDCGFS-UHFFFAOYSA-N 1 2 358.354 2.179 20 5 FEBDLO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccncc1 ZINC000267871489 329364424 /nfs/dbraw/zinc/36/44/24/329364424.db2.gz CWLOCXKSHDCGFS-UHFFFAOYSA-N 1 2 358.354 2.179 20 5 FEBDLO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269108448 329486619 /nfs/dbraw/zinc/48/66/19/329486619.db2.gz CIKXDRSXLFOIOD-SFHVURJKSA-N 1 2 371.393 2.104 20 5 FEBDLO CN(Cc1[nH+]ccn1C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272343163 329772025 /nfs/dbraw/zinc/77/20/25/329772025.db2.gz BZFLUOUTAMAARC-UHFFFAOYSA-N 1 2 351.794 2.366 20 5 FEBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000272709895 329806746 /nfs/dbraw/zinc/80/67/46/329806746.db2.gz KIPYBNCVNDVLFR-UHFFFAOYSA-N 1 2 358.280 2.413 20 5 FEBDLO COc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000272817948 329815388 /nfs/dbraw/zinc/81/53/88/329815388.db2.gz KSTXLVFXWPTDQU-CYBMUJFWSA-N 1 2 357.370 2.399 20 5 FEBDLO COc1cc(C[NH+]2CCC(NC(=O)C(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000274239254 329929786 /nfs/dbraw/zinc/92/97/86/329929786.db2.gz GCBWCPPUCBRCNU-UHFFFAOYSA-N 1 2 353.394 2.479 20 5 FEBDLO CSc1ccc(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000414049828 330257506 /nfs/dbraw/zinc/25/75/06/330257506.db2.gz IRWLXHQRCWFWFQ-UHFFFAOYSA-N 1 2 367.471 2.500 20 5 FEBDLO O=C(COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cscn1 ZINC000805542282 674343631 /nfs/dbraw/zinc/34/36/31/674343631.db2.gz LPAYMOFLLDXJSJ-UHFFFAOYSA-N 1 2 358.335 2.277 20 5 FEBDLO NC(=O)c1ccc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c([N+](=O)[O-])c1 ZINC000158728278 545890753 /nfs/dbraw/zinc/89/07/53/545890753.db2.gz OCJWXGWKAATBBG-FQEVSTJZSA-N 1 2 367.405 2.368 20 5 FEBDLO NC(=O)c1ccc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)c([N+](=O)[O-])c1 ZINC000158728278 545890759 /nfs/dbraw/zinc/89/07/59/545890759.db2.gz OCJWXGWKAATBBG-FQEVSTJZSA-N 1 2 367.405 2.368 20 5 FEBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000161306175 546118216 /nfs/dbraw/zinc/11/82/16/546118216.db2.gz JLIZFQJGWOISCW-UHFFFAOYSA-N 1 2 356.382 2.383 20 5 FEBDLO COCCO[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000179352356 546938385 /nfs/dbraw/zinc/93/83/85/546938385.db2.gz YLEHRYLMOKXWHD-CYBMUJFWSA-N 1 2 371.821 2.314 20 5 FEBDLO COCCO[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000179352356 546938388 /nfs/dbraw/zinc/93/83/88/546938388.db2.gz YLEHRYLMOKXWHD-CYBMUJFWSA-N 1 2 371.821 2.314 20 5 FEBDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000180151198 547058632 /nfs/dbraw/zinc/05/86/32/547058632.db2.gz HXHOKDXDXQJJRD-UHFFFAOYSA-N 1 2 365.411 2.015 20 5 FEBDLO Cc1cccn2cc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)[nH+]c12 ZINC000180255531 547074380 /nfs/dbraw/zinc/07/43/80/547074380.db2.gz OTMODOCMPIWEBW-UHFFFAOYSA-N 1 2 364.358 2.169 20 5 FEBDLO Cc1cccn2cc(CNC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)[nH+]c12 ZINC000181657934 547354126 /nfs/dbraw/zinc/35/41/26/547354126.db2.gz KNEQOSJRCJCKNV-UHFFFAOYSA-N 1 2 354.322 2.210 20 5 FEBDLO CN(C[C@@H]1CCCC[C@@H]1O)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000183382552 547648548 /nfs/dbraw/zinc/64/85/48/547648548.db2.gz DETVWCWYGMJECN-YOEHRIQHSA-N 1 2 358.398 2.404 20 5 FEBDLO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184231857 547791709 /nfs/dbraw/zinc/79/17/09/547791709.db2.gz GHHOARVANXWPMD-UHFFFAOYSA-N 1 2 366.381 2.219 20 5 FEBDLO Cc1ccc(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)cc1[N+](=O)[O-] ZINC000485414618 561318650 /nfs/dbraw/zinc/31/86/50/561318650.db2.gz XYIANNABZGGEJW-HNNXBMFYSA-N 1 2 373.413 2.338 20 5 FEBDLO Cc1ccc(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)cc1[N+](=O)[O-] ZINC000485414618 561318651 /nfs/dbraw/zinc/31/86/51/561318651.db2.gz XYIANNABZGGEJW-HNNXBMFYSA-N 1 2 373.413 2.338 20 5 FEBDLO C[C@H](C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185368013 547976524 /nfs/dbraw/zinc/97/65/24/547976524.db2.gz ZILHMPLEYNBTNO-IGCXYCKISA-N 1 2 365.405 2.017 20 5 FEBDLO COc1ccc(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1[N+](=O)[O-] ZINC000487643658 561373163 /nfs/dbraw/zinc/37/31/63/561373163.db2.gz CDVXJXQUIPDXNS-UHFFFAOYSA-N 1 2 353.338 2.114 20 5 FEBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)[C@H]2C1 ZINC000246520533 549151762 /nfs/dbraw/zinc/15/17/62/549151762.db2.gz KSZYMJNNHBQSLC-PMPSAXMXSA-N 1 2 374.397 2.413 20 5 FEBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)[C@H]2C1 ZINC000246520533 549151764 /nfs/dbraw/zinc/15/17/64/549151764.db2.gz KSZYMJNNHBQSLC-PMPSAXMXSA-N 1 2 374.397 2.413 20 5 FEBDLO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488747025 561396017 /nfs/dbraw/zinc/39/60/17/561396017.db2.gz NSEXCBCFGJSGEX-TUAOUCFPSA-N 1 2 373.500 2.226 20 5 FEBDLO C[C@@H]1C[C@@H]1[N@H+]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488747025 561396018 /nfs/dbraw/zinc/39/60/18/561396018.db2.gz NSEXCBCFGJSGEX-TUAOUCFPSA-N 1 2 373.500 2.226 20 5 FEBDLO COCC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCO[C@H]1C ZINC000489456479 561411825 /nfs/dbraw/zinc/41/18/25/561411825.db2.gz ORFLWLOQTWMPLJ-SWLSCSKDSA-N 1 2 362.386 2.271 20 5 FEBDLO COCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCO[C@H]1C ZINC000489456479 561411826 /nfs/dbraw/zinc/41/18/26/561411826.db2.gz ORFLWLOQTWMPLJ-SWLSCSKDSA-N 1 2 362.386 2.271 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000263739917 549929584 /nfs/dbraw/zinc/92/95/84/549929584.db2.gz OCJJEJSOFGZMQV-UHFFFAOYSA-N 1 2 350.400 2.126 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)NCc2ccc(N(C)C)[nH+]c2)cc1[N+](=O)[O-] ZINC000493572131 561456807 /nfs/dbraw/zinc/45/68/07/561456807.db2.gz JJPKWPLOCXPUHQ-UHFFFAOYSA-N 1 2 364.427 2.151 20 5 FEBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000493562831 561456846 /nfs/dbraw/zinc/45/68/46/561456846.db2.gz JHVVMHNIQOWPAE-SECBINFHSA-N 1 2 365.187 2.368 20 5 FEBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000493562831 561456847 /nfs/dbraw/zinc/45/68/47/561456847.db2.gz JHVVMHNIQOWPAE-SECBINFHSA-N 1 2 365.187 2.368 20 5 FEBDLO CC[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000270370407 550266263 /nfs/dbraw/zinc/26/62/63/550266263.db2.gz MRULGHZXXMBDAD-QWRGUYRKSA-N 1 2 373.251 2.034 20 5 FEBDLO CC[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000270370407 550266266 /nfs/dbraw/zinc/26/62/66/550266266.db2.gz MRULGHZXXMBDAD-QWRGUYRKSA-N 1 2 373.251 2.034 20 5 FEBDLO CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000270862909 550315457 /nfs/dbraw/zinc/31/54/57/550315457.db2.gz LWWRBEYDKIAZGG-ZWNOBZJWSA-N 1 2 372.303 2.212 20 5 FEBDLO C[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271224720 550354876 /nfs/dbraw/zinc/35/48/76/550354876.db2.gz DRNYMNHRUHZXGE-NSHDSACASA-N 1 2 358.354 2.350 20 5 FEBDLO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271224720 550354877 /nfs/dbraw/zinc/35/48/77/550354877.db2.gz DRNYMNHRUHZXGE-NSHDSACASA-N 1 2 358.354 2.350 20 5 FEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272093158 550422251 /nfs/dbraw/zinc/42/22/51/550422251.db2.gz JJLGNZIIAHSLEC-NSHDSACASA-N 1 2 351.794 2.375 20 5 FEBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3n[nH]c4ccc([N+](=O)[O-])cc43)n2)C1 ZINC000272679426 550464698 /nfs/dbraw/zinc/46/46/98/550464698.db2.gz RNLJOMSUPPXGQO-ZDUSSCGKSA-N 1 2 358.358 2.303 20 5 FEBDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3n[nH]c4ccc([N+](=O)[O-])cc43)n2)C1 ZINC000272679426 550464699 /nfs/dbraw/zinc/46/46/99/550464699.db2.gz RNLJOMSUPPXGQO-ZDUSSCGKSA-N 1 2 358.358 2.303 20 5 FEBDLO COc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000272817950 550472134 /nfs/dbraw/zinc/47/21/34/550472134.db2.gz KSTXLVFXWPTDQU-ZDUSSCGKSA-N 1 2 357.370 2.399 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]nc(-c3nc([C@H]4C[N@@H+](C5CC5)CCO4)no3)c2c1 ZINC000273946407 550516634 /nfs/dbraw/zinc/51/66/34/550516634.db2.gz SMOQFCQRCZTQCR-CYBMUJFWSA-N 1 2 356.342 2.057 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]nc(-c3nc([C@H]4C[N@H+](C5CC5)CCO4)no3)c2c1 ZINC000273946407 550516636 /nfs/dbraw/zinc/51/66/36/550516636.db2.gz SMOQFCQRCZTQCR-CYBMUJFWSA-N 1 2 356.342 2.057 20 5 FEBDLO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000278259701 550766311 /nfs/dbraw/zinc/76/63/11/550766311.db2.gz IDDSOHFIXTYQSW-WFASDCNBSA-N 1 2 358.822 2.094 20 5 FEBDLO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000278259701 550766313 /nfs/dbraw/zinc/76/63/13/550766313.db2.gz IDDSOHFIXTYQSW-WFASDCNBSA-N 1 2 358.822 2.094 20 5 FEBDLO CCCc1[nH]nc(C(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)c1[N+](=O)[O-] ZINC000278712639 550814244 /nfs/dbraw/zinc/81/42/44/550814244.db2.gz SEYOOEZWYNPYBJ-UHFFFAOYSA-N 1 2 357.374 2.465 20 5 FEBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000279329688 550878280 /nfs/dbraw/zinc/87/82/80/550878280.db2.gz HEWVXSICAQMVCB-UHFFFAOYSA-N 1 2 356.382 2.351 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000279936400 550944822 /nfs/dbraw/zinc/94/48/22/550944822.db2.gz XAUVRSHAMNXTHQ-IYOUNJFTSA-N 1 2 363.414 2.110 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000279936400 550944823 /nfs/dbraw/zinc/94/48/23/550944823.db2.gz XAUVRSHAMNXTHQ-IYOUNJFTSA-N 1 2 363.414 2.110 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280340615 550982635 /nfs/dbraw/zinc/98/26/35/550982635.db2.gz IIWZHFGPPXQEJA-FZKQIMNGSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280340615 550982636 /nfs/dbraw/zinc/98/26/36/550982636.db2.gz IIWZHFGPPXQEJA-FZKQIMNGSA-N 1 2 363.414 2.192 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282259910 551203013 /nfs/dbraw/zinc/20/30/13/551203013.db2.gz RUZYTIYZEQWNMI-LBPRGKRZSA-N 1 2 371.397 2.248 20 5 FEBDLO COc1cc[nH+]cc1NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000498422772 561524409 /nfs/dbraw/zinc/52/44/09/561524409.db2.gz NCSSNOWRELLKSN-UHFFFAOYSA-N 1 2 354.326 2.140 20 5 FEBDLO CS(=O)(=O)NCC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000285489247 551764701 /nfs/dbraw/zinc/76/47/01/551764701.db2.gz PDQUAQFVMPXWEO-UHFFFAOYSA-N 1 2 361.851 2.009 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000287284134 551984920 /nfs/dbraw/zinc/98/49/20/551984920.db2.gz KXJQGBKQSVGOJZ-WCQYABFASA-N 1 2 353.806 2.183 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000289963586 552406479 /nfs/dbraw/zinc/40/64/79/552406479.db2.gz WWTJPWRCQHTCDP-WMLDXEAASA-N 1 2 363.414 2.431 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000289963586 552406480 /nfs/dbraw/zinc/40/64/80/552406480.db2.gz WWTJPWRCQHTCDP-WMLDXEAASA-N 1 2 363.414 2.431 20 5 FEBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(Cl)cc1 ZINC000500726149 561580385 /nfs/dbraw/zinc/58/03/85/561580385.db2.gz BRFYRZPJHGRYMJ-CYBMUJFWSA-N 1 2 374.788 2.235 20 5 FEBDLO COc1ccc(CNc2cccc(C[N@@H+]3CCNC(=O)C3)c2)cc1[N+](=O)[O-] ZINC000291034841 552578385 /nfs/dbraw/zinc/57/83/85/552578385.db2.gz FNYLITYOKIPEGX-UHFFFAOYSA-N 1 2 370.409 2.147 20 5 FEBDLO COc1ccc(CNc2cccc(C[N@H+]3CCNC(=O)C3)c2)cc1[N+](=O)[O-] ZINC000291034841 552578388 /nfs/dbraw/zinc/57/83/88/552578388.db2.gz FNYLITYOKIPEGX-UHFFFAOYSA-N 1 2 370.409 2.147 20 5 FEBDLO CC(C)n1cc[nH+]c1CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000501301531 561594644 /nfs/dbraw/zinc/59/46/44/561594644.db2.gz UXVKQLJHTDOJQW-UHFFFAOYSA-N 1 2 363.443 2.392 20 5 FEBDLO CCOc1cc(C[NH+]2CCC(CS(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000292124645 552696206 /nfs/dbraw/zinc/69/62/06/552696206.db2.gz KREBEVGSKSSZER-UHFFFAOYSA-N 1 2 356.444 2.250 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293024861 552781429 /nfs/dbraw/zinc/78/14/29/552781429.db2.gz RBCDTCNEXDFPLF-AWEZNQCLSA-N 1 2 351.794 2.169 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293024861 552781431 /nfs/dbraw/zinc/78/14/31/552781431.db2.gz RBCDTCNEXDFPLF-AWEZNQCLSA-N 1 2 351.794 2.169 20 5 FEBDLO Cc1nc(N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc[nH+]1 ZINC000294900126 552942716 /nfs/dbraw/zinc/94/27/16/552942716.db2.gz HCRJDQNXJOOFCN-UHFFFAOYSA-N 1 2 361.789 2.309 20 5 FEBDLO Cc1nc(N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000295628116 553035858 /nfs/dbraw/zinc/03/58/58/553035858.db2.gz BOCWZHNMUDKLNV-AWEZNQCLSA-N 1 2 370.413 2.346 20 5 FEBDLO COc1cc(OCC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000296060420 553098032 /nfs/dbraw/zinc/09/80/32/553098032.db2.gz ZSXMTYLOPYFEQX-MRXNPFEDSA-N 1 2 374.397 2.325 20 5 FEBDLO CC(=O)Nc1ccccc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296102143 553104739 /nfs/dbraw/zinc/10/47/39/553104739.db2.gz UGQBUIPUKCAADU-UHFFFAOYSA-N 1 2 355.398 2.270 20 5 FEBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000296296397 553136619 /nfs/dbraw/zinc/13/66/19/553136619.db2.gz IDGXDEQLWJVLAV-AWEZNQCLSA-N 1 2 371.441 2.180 20 5 FEBDLO CC1(C)C[C@@H](O)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000296993978 553239731 /nfs/dbraw/zinc/23/97/31/553239731.db2.gz PYUACCMCKFJLMA-AWEZNQCLSA-N 1 2 358.398 2.404 20 5 FEBDLO NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000298735588 553466104 /nfs/dbraw/zinc/46/61/04/553466104.db2.gz VGOXCHIQPZOWGQ-UHFFFAOYSA-N 1 2 356.386 2.086 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000299378153 553555635 /nfs/dbraw/zinc/55/56/35/553555635.db2.gz SKUNEYFCUGRVJK-UHFFFAOYSA-N 1 2 371.397 2.210 20 5 FEBDLO Cc1n[nH]c(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000299428452 553561801 /nfs/dbraw/zinc/56/18/01/553561801.db2.gz BBYGHKMATDDAEW-UHFFFAOYSA-N 1 2 361.377 2.114 20 5 FEBDLO Cc1n[nH]c(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000299428452 553561802 /nfs/dbraw/zinc/56/18/02/553561802.db2.gz BBYGHKMATDDAEW-UHFFFAOYSA-N 1 2 361.377 2.114 20 5 FEBDLO Cc1[nH]nc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000299428452 553561803 /nfs/dbraw/zinc/56/18/03/553561803.db2.gz BBYGHKMATDDAEW-UHFFFAOYSA-N 1 2 361.377 2.114 20 5 FEBDLO Cc1[nH]nc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000299428452 553561804 /nfs/dbraw/zinc/56/18/04/553561804.db2.gz BBYGHKMATDDAEW-UHFFFAOYSA-N 1 2 361.377 2.114 20 5 FEBDLO Cc1cc(N2C[C@H](C(N)=O)CC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301110509 553623105 /nfs/dbraw/zinc/62/31/05/553623105.db2.gz MXZGYLHVSSVNFR-GXTWGEPZSA-N 1 2 355.398 2.450 20 5 FEBDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000301138939 553625699 /nfs/dbraw/zinc/62/56/99/553625699.db2.gz FWVGPQAJJVZTIT-UHFFFAOYSA-N 1 2 358.398 2.218 20 5 FEBDLO CCOC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000301138939 553625701 /nfs/dbraw/zinc/62/57/01/553625701.db2.gz FWVGPQAJJVZTIT-UHFFFAOYSA-N 1 2 358.398 2.218 20 5 FEBDLO COc1cc(N2CC[NH+](CC(=O)Nc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000301352500 553644385 /nfs/dbraw/zinc/64/43/85/553644385.db2.gz KPLNWLJQXCOYOR-UHFFFAOYSA-N 1 2 370.409 2.364 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000301430210 553650986 /nfs/dbraw/zinc/65/09/86/553650986.db2.gz FZXJIQCXLHHYLW-HNNXBMFYSA-N 1 2 360.458 2.473 20 5 FEBDLO O=c1[nH]cnc2cc(N3CC[C@@H](Oc4cc[nH+]cc4)C3)c([N+](=O)[O-])cc12 ZINC000301664243 553669719 /nfs/dbraw/zinc/66/97/19/553669719.db2.gz ZCYHMVZDKLLUSE-GFCCVEGCSA-N 1 2 353.338 2.296 20 5 FEBDLO O=c1[nH]cnc2cc(N[C@@H]3CCN(c4cccc[nH+]4)C3)c([N+](=O)[O-])cc21 ZINC000301786732 553679216 /nfs/dbraw/zinc/67/92/16/553679216.db2.gz WIROHXJAGWPGBF-LLVKDONJSA-N 1 2 352.354 2.329 20 5 FEBDLO Cc1cc(N2CC[NH+](C[C@H](C)O)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302645390 553723868 /nfs/dbraw/zinc/72/38/68/553723868.db2.gz FPXVQQGAWXSDEC-NSHDSACASA-N 1 2 358.236 2.169 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cc1 ZINC000302777188 553732228 /nfs/dbraw/zinc/73/22/28/553732228.db2.gz FYFYHCWARIHFIE-UHFFFAOYSA-N 1 2 354.414 2.312 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)cc1 ZINC000302777188 553732229 /nfs/dbraw/zinc/73/22/29/553732229.db2.gz FYFYHCWARIHFIE-UHFFFAOYSA-N 1 2 354.414 2.312 20 5 FEBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[NH+](CCc2cccs2)CC1 ZINC000506779940 561708529 /nfs/dbraw/zinc/70/85/29/561708529.db2.gz UPSAMQQMWWJPKE-UHFFFAOYSA-N 1 2 361.423 2.362 20 5 FEBDLO C[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000330719908 554162648 /nfs/dbraw/zinc/16/26/48/554162648.db2.gz WJNQTBQDVFJWSW-VXGBXAGGSA-N 1 2 359.423 2.133 20 5 FEBDLO C[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000330719908 554162653 /nfs/dbraw/zinc/16/26/53/554162653.db2.gz WJNQTBQDVFJWSW-VXGBXAGGSA-N 1 2 359.423 2.133 20 5 FEBDLO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000331173308 554225881 /nfs/dbraw/zinc/22/58/81/554225881.db2.gz OWAYAEBXMJASJL-TUKWMXSWSA-N 1 2 353.444 2.073 20 5 FEBDLO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000331173308 554225882 /nfs/dbraw/zinc/22/58/82/554225882.db2.gz OWAYAEBXMJASJL-TUKWMXSWSA-N 1 2 353.444 2.073 20 5 FEBDLO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1cccc(S(N)(=O)=O)c1 ZINC000508993173 561780556 /nfs/dbraw/zinc/78/05/56/561780556.db2.gz XWXUSVUJCHGBPE-VIFPVBQESA-N 1 2 371.365 2.371 20 5 FEBDLO Cc1c(C[NH+]2CCN([C@H](C)C(=O)NC3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000331939802 554349602 /nfs/dbraw/zinc/34/96/02/554349602.db2.gz PLBDGQPVQVTULE-MRXNPFEDSA-N 1 2 374.485 2.468 20 5 FEBDLO Cc1c(CN2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000331939802 554349604 /nfs/dbraw/zinc/34/96/04/554349604.db2.gz PLBDGQPVQVTULE-MRXNPFEDSA-N 1 2 374.485 2.468 20 5 FEBDLO Cc1nc(N2CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CC2)cc[nH+]1 ZINC000332534694 554465938 /nfs/dbraw/zinc/46/59/38/554465938.db2.gz IKBGYMHAQOCESW-UHFFFAOYSA-N 1 2 360.349 2.186 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000510449911 561835075 /nfs/dbraw/zinc/83/50/75/561835075.db2.gz PYTUHLPVUJOKME-HNNXBMFYSA-N 1 2 364.427 2.375 20 5 FEBDLO CNC(=O)c1ccc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000511030065 561854298 /nfs/dbraw/zinc/85/42/98/561854298.db2.gz NFFVZAXTINZVDB-UHFFFAOYSA-N 1 2 353.382 2.463 20 5 FEBDLO CNC(=O)c1ccc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000511030065 561854300 /nfs/dbraw/zinc/85/43/00/561854300.db2.gz NFFVZAXTINZVDB-UHFFFAOYSA-N 1 2 353.382 2.463 20 5 FEBDLO Cc1sc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000511275210 561863574 /nfs/dbraw/zinc/86/35/74/561863574.db2.gz DXCWRQJFLSARQW-GFCCVEGCSA-N 1 2 356.429 2.128 20 5 FEBDLO COCc1cc([N+](=O)[O-])ccc1N1CC[C@@H]([N@H+](C)Cc2noc(C)n2)C1 ZINC000361783677 554934734 /nfs/dbraw/zinc/93/47/34/554934734.db2.gz NEXLVBBRXXKMPS-OAHLLOKOSA-N 1 2 361.402 2.143 20 5 FEBDLO COCc1cc([N+](=O)[O-])ccc1N1CC[C@@H]([N@@H+](C)Cc2noc(C)n2)C1 ZINC000361783677 554934735 /nfs/dbraw/zinc/93/47/35/554934735.db2.gz NEXLVBBRXXKMPS-OAHLLOKOSA-N 1 2 361.402 2.143 20 5 FEBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000362117231 554950764 /nfs/dbraw/zinc/95/07/64/554950764.db2.gz GSTPTLSHYONXQV-HWWDLCQESA-N 1 2 353.378 2.161 20 5 FEBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000362117231 554950767 /nfs/dbraw/zinc/95/07/67/554950767.db2.gz GSTPTLSHYONXQV-HWWDLCQESA-N 1 2 353.378 2.161 20 5 FEBDLO O=C(Nc1nncs1)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000363022302 555012210 /nfs/dbraw/zinc/01/22/10/555012210.db2.gz UQDCOHVTJVUADF-UHFFFAOYSA-N 1 2 353.429 2.359 20 5 FEBDLO Cc1cc(N2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000363494041 555120309 /nfs/dbraw/zinc/12/03/09/555120309.db2.gz XYEWWELBFKEWBL-HUUCEWRRSA-N 1 2 361.446 2.001 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000363810890 555190794 /nfs/dbraw/zinc/19/07/94/555190794.db2.gz COBKWFZISRNSGS-IEBWSBKVSA-N 1 2 374.393 2.114 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000363810890 555190797 /nfs/dbraw/zinc/19/07/97/555190797.db2.gz COBKWFZISRNSGS-IEBWSBKVSA-N 1 2 374.393 2.114 20 5 FEBDLO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000364054582 555241505 /nfs/dbraw/zinc/24/15/05/555241505.db2.gz JEFFINPKXRSEPH-GLQYFDAESA-N 1 2 371.397 2.263 20 5 FEBDLO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000364054582 555241506 /nfs/dbraw/zinc/24/15/06/555241506.db2.gz JEFFINPKXRSEPH-GLQYFDAESA-N 1 2 371.397 2.263 20 5 FEBDLO COc1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])cc1OC ZINC000364244791 555277603 /nfs/dbraw/zinc/27/76/03/555277603.db2.gz VLBQLTMIPVTNPH-CYBMUJFWSA-N 1 2 373.365 2.301 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000365086775 555482229 /nfs/dbraw/zinc/48/22/29/555482229.db2.gz ODJWZIMWRIHYAK-CYBMUJFWSA-N 1 2 364.427 2.123 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366395552 555832127 /nfs/dbraw/zinc/83/21/27/555832127.db2.gz GUFDWWAZRTZLLX-CQSZACIVSA-N 1 2 356.444 2.393 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366395552 555832130 /nfs/dbraw/zinc/83/21/30/555832130.db2.gz GUFDWWAZRTZLLX-CQSZACIVSA-N 1 2 356.444 2.393 20 5 FEBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000367720754 556122797 /nfs/dbraw/zinc/12/27/97/556122797.db2.gz METSSAKXGQKZJK-UHFFFAOYSA-N 1 2 374.441 2.296 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000367728602 556124727 /nfs/dbraw/zinc/12/47/27/556124727.db2.gz MEJRIIZWNBCLNL-VXGBXAGGSA-N 1 2 353.806 2.183 20 5 FEBDLO CCCC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000368771924 556409718 /nfs/dbraw/zinc/40/97/18/556409718.db2.gz GDHDGZHJFHFEMC-AWEZNQCLSA-N 1 2 362.430 2.256 20 5 FEBDLO CCCC(=O)N1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000368771924 556409719 /nfs/dbraw/zinc/40/97/19/556409719.db2.gz GDHDGZHJFHFEMC-AWEZNQCLSA-N 1 2 362.430 2.256 20 5 FEBDLO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000368878308 556436662 /nfs/dbraw/zinc/43/66/62/556436662.db2.gz SXQVVPQYMHFXGH-UVBJJODRSA-N 1 2 361.398 2.080 20 5 FEBDLO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000368878308 556436666 /nfs/dbraw/zinc/43/66/66/556436666.db2.gz SXQVVPQYMHFXGH-UVBJJODRSA-N 1 2 361.398 2.080 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000370453335 556877680 /nfs/dbraw/zinc/87/76/80/556877680.db2.gz SVIZETGGSAMLBD-UHFFFAOYSA-N 1 2 361.423 2.453 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000370453335 556877683 /nfs/dbraw/zinc/87/76/83/556877683.db2.gz SVIZETGGSAMLBD-UHFFFAOYSA-N 1 2 361.423 2.453 20 5 FEBDLO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000517414944 562089720 /nfs/dbraw/zinc/08/97/20/562089720.db2.gz MFZKLALUEDBOBC-VXGBXAGGSA-N 1 2 359.423 2.275 20 5 FEBDLO Cc1[nH+]c2n(c1CN1CCN(c3nc(C)ccc3[N+](=O)[O-])CC1)CCCC2 ZINC000371618424 557241456 /nfs/dbraw/zinc/24/14/56/557241456.db2.gz HOOBRVFUXNTGSR-UHFFFAOYSA-N 1 2 370.457 2.462 20 5 FEBDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000372573073 557508773 /nfs/dbraw/zinc/50/87/73/557508773.db2.gz LCHYSOOWYFKGLG-DKRLNXSXSA-N 1 2 367.409 2.131 20 5 FEBDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000372573073 557508775 /nfs/dbraw/zinc/50/87/75/557508775.db2.gz LCHYSOOWYFKGLG-DKRLNXSXSA-N 1 2 367.409 2.131 20 5 FEBDLO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000373582231 557722793 /nfs/dbraw/zinc/72/27/93/557722793.db2.gz LWWYXWBKOHQGIF-QWHCGFSZSA-N 1 2 370.377 2.285 20 5 FEBDLO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000373582231 557722795 /nfs/dbraw/zinc/72/27/95/557722795.db2.gz LWWYXWBKOHQGIF-QWHCGFSZSA-N 1 2 370.377 2.285 20 5 FEBDLO CC[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@]2(CCOC2)O1 ZINC000373808910 557763634 /nfs/dbraw/zinc/76/36/34/557763634.db2.gz CTSADRGMZUCXIF-MAUKXSAKSA-N 1 2 374.397 2.415 20 5 FEBDLO CC[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@]2(CCOC2)O1 ZINC000373808910 557763636 /nfs/dbraw/zinc/76/36/36/557763636.db2.gz CTSADRGMZUCXIF-MAUKXSAKSA-N 1 2 374.397 2.415 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000373808706 557763741 /nfs/dbraw/zinc/76/37/41/557763741.db2.gz BZQTWYXNHRVTHA-KSSFIOAISA-N 1 2 363.414 2.112 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000373808706 557763743 /nfs/dbraw/zinc/76/37/43/557763743.db2.gz BZQTWYXNHRVTHA-KSSFIOAISA-N 1 2 363.414 2.112 20 5 FEBDLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])cn1 ZINC000373834715 557769718 /nfs/dbraw/zinc/76/97/18/557769718.db2.gz GJHJTQJTYNSILT-UHFFFAOYSA-N 1 2 353.338 2.120 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@H]2Cc2c[nH]c3ccccc23)c1 ZINC000374145276 557831222 /nfs/dbraw/zinc/83/12/22/557831222.db2.gz PUZVXQOSJLPWAP-OAHLLOKOSA-N 1 2 355.398 2.216 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@H]2Cc2c[nH]c3ccccc23)c1 ZINC000374145276 557831226 /nfs/dbraw/zinc/83/12/26/557831226.db2.gz PUZVXQOSJLPWAP-OAHLLOKOSA-N 1 2 355.398 2.216 20 5 FEBDLO CS(=O)(=O)N1CC[N@H+](Cc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000374311779 557863664 /nfs/dbraw/zinc/86/36/64/557863664.db2.gz SYQFINXFWOLUHZ-UHFFFAOYSA-N 1 2 361.423 2.377 20 5 FEBDLO CS(=O)(=O)N1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000374311779 557863665 /nfs/dbraw/zinc/86/36/65/557863665.db2.gz SYQFINXFWOLUHZ-UHFFFAOYSA-N 1 2 361.423 2.377 20 5 FEBDLO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000374905957 557949031 /nfs/dbraw/zinc/94/90/31/557949031.db2.gz AZLCZGLXVPSACS-CYBMUJFWSA-N 1 2 362.773 2.136 20 5 FEBDLO CSc1cccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000376169864 558135882 /nfs/dbraw/zinc/13/58/82/558135882.db2.gz CXNLOPVXSJIIQK-STQMWFEESA-N 1 2 365.455 2.252 20 5 FEBDLO Cc1c(C(=O)Nc2c[nH+]ccc2-n2ccnn2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000377452597 558343583 /nfs/dbraw/zinc/34/35/83/558343583.db2.gz NMENYVRGJWAYLW-UHFFFAOYSA-N 1 2 369.297 2.039 20 5 FEBDLO CCCc1n[nH]c(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000377593524 558372534 /nfs/dbraw/zinc/37/25/34/558372534.db2.gz PUFNODBFYMFNKX-UHFFFAOYSA-N 1 2 354.370 2.386 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000377663251 558389922 /nfs/dbraw/zinc/38/99/22/558389922.db2.gz UNJMQHXJJUBKRL-YOEHRIQHSA-N 1 2 374.441 2.399 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000377663251 558389924 /nfs/dbraw/zinc/38/99/24/558389924.db2.gz UNJMQHXJJUBKRL-YOEHRIQHSA-N 1 2 374.441 2.399 20 5 FEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2cscn2)CC1 ZINC000377850467 558435001 /nfs/dbraw/zinc/43/50/01/558435001.db2.gz NQQZJPFNKKGWBC-UHFFFAOYSA-N 1 2 360.439 2.375 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)CCC2 ZINC000378249031 558511239 /nfs/dbraw/zinc/51/12/39/558511239.db2.gz WSLGGGDRKZOQKI-ZDUSSCGKSA-N 1 2 357.414 2.473 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000378265659 558515209 /nfs/dbraw/zinc/51/52/09/558515209.db2.gz VIECPWMPYWJJSN-JTQLQIEISA-N 1 2 370.818 2.160 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000408182931 558654802 /nfs/dbraw/zinc/65/48/02/558654802.db2.gz OCFQZHOONMIICC-CJNGLKHVSA-N 1 2 367.471 2.405 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000408182931 558654804 /nfs/dbraw/zinc/65/48/04/558654804.db2.gz OCFQZHOONMIICC-CJNGLKHVSA-N 1 2 367.471 2.405 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1csnn1 ZINC000412031298 559004272 /nfs/dbraw/zinc/00/42/72/559004272.db2.gz BWLMXBWCYMTECF-DTWKUNHWSA-N 1 2 351.388 2.133 20 5 FEBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000526954056 562270712 /nfs/dbraw/zinc/27/07/12/562270712.db2.gz YCJYRXZXZCOGAK-UHFFFAOYSA-N 1 2 362.817 2.375 20 5 FEBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000526954056 562270713 /nfs/dbraw/zinc/27/07/13/562270713.db2.gz YCJYRXZXZCOGAK-UHFFFAOYSA-N 1 2 362.817 2.375 20 5 FEBDLO CC(C)(NC(=O)NC[C@H]1CC[NH2+]CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000418766008 559414841 /nfs/dbraw/zinc/41/48/41/559414841.db2.gz OXVKXPNILSAAED-GFCCVEGCSA-N 1 2 356.373 2.374 20 5 FEBDLO Cc1cc(N2CC[C@H](c3nnc[nH]3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000425277079 559694469 /nfs/dbraw/zinc/69/44/69/559694469.db2.gz CFFOPUDUXNUGJK-ZDUSSCGKSA-N 1 2 351.370 2.472 20 5 FEBDLO COCC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000425286605 559694865 /nfs/dbraw/zinc/69/48/65/559694865.db2.gz YTIUHIDKTAIUDP-UHFFFAOYSA-N 1 2 373.251 2.299 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425545550 559709049 /nfs/dbraw/zinc/70/90/49/559709049.db2.gz KAEKBSABZZEKJS-ZJUUUORDSA-N 1 2 364.793 2.183 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425545550 559709050 /nfs/dbraw/zinc/70/90/50/559709050.db2.gz KAEKBSABZZEKJS-ZJUUUORDSA-N 1 2 364.793 2.183 20 5 FEBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428356816 559773731 /nfs/dbraw/zinc/77/37/31/559773731.db2.gz AYUSKRANPXONLM-OAHLLOKOSA-N 1 2 372.428 2.482 20 5 FEBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000428537872 559777538 /nfs/dbraw/zinc/77/75/38/559777538.db2.gz VQYSKQXSLJMCPR-CYBMUJFWSA-N 1 2 367.471 2.236 20 5 FEBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000428537872 559777539 /nfs/dbraw/zinc/77/75/39/559777539.db2.gz VQYSKQXSLJMCPR-CYBMUJFWSA-N 1 2 367.471 2.236 20 5 FEBDLO CCn1nccc1C[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000429711942 559804437 /nfs/dbraw/zinc/80/44/37/559804437.db2.gz AJCYIFZVUGANTJ-LBPRGKRZSA-N 1 2 361.402 2.279 20 5 FEBDLO CCn1nccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000429711942 559804438 /nfs/dbraw/zinc/80/44/38/559804438.db2.gz AJCYIFZVUGANTJ-LBPRGKRZSA-N 1 2 361.402 2.279 20 5 FEBDLO COc1cc[nH+]cc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000431570918 559841557 /nfs/dbraw/zinc/84/15/57/559841557.db2.gz OYEXBLALXHHWEW-UHFFFAOYSA-N 1 2 357.775 2.130 20 5 FEBDLO CCN(CC)C(=O)C[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432326427 559856480 /nfs/dbraw/zinc/85/64/80/559856480.db2.gz PDEMTOHISWVRQV-UHFFFAOYSA-N 1 2 371.441 2.133 20 5 FEBDLO COC[C@@H](Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCO1 ZINC000432942970 559868418 /nfs/dbraw/zinc/86/84/18/559868418.db2.gz DXAASVKXNAFPJN-CVEARBPZSA-N 1 2 358.398 2.388 20 5 FEBDLO COC[C@H](Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCO1 ZINC000432942971 559868429 /nfs/dbraw/zinc/86/84/29/559868429.db2.gz DXAASVKXNAFPJN-HOTGVXAUSA-N 1 2 358.398 2.388 20 5 FEBDLO CC(C)c1n[nH]c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000433856975 559888920 /nfs/dbraw/zinc/88/89/20/559888920.db2.gz YVYKDVHZYZYBRS-UHFFFAOYSA-N 1 2 357.414 2.399 20 5 FEBDLO CC(C)c1[nH]nc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000433856975 559888921 /nfs/dbraw/zinc/88/89/21/559888921.db2.gz YVYKDVHZYZYBRS-UHFFFAOYSA-N 1 2 357.414 2.399 20 5 FEBDLO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)Cc2ccccc2C1 ZINC000436989876 559958850 /nfs/dbraw/zinc/95/88/50/559958850.db2.gz NERHKSRGAJTQOD-UHFFFAOYSA-N 1 2 355.394 2.129 20 5 FEBDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000442838004 560059195 /nfs/dbraw/zinc/05/91/95/560059195.db2.gz OONHVJGIUQZGHI-GOSISDBHSA-N 1 2 363.414 2.131 20 5 FEBDLO COc1cc2c(cc1C[NH2+]Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)OCO2 ZINC000446848511 560152633 /nfs/dbraw/zinc/15/26/33/560152633.db2.gz ICDATMBQQGDKMI-UHFFFAOYSA-N 1 2 356.338 2.498 20 5 FEBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000449213585 560220386 /nfs/dbraw/zinc/22/03/86/560220386.db2.gz WWJHJKDPWYDKPC-OAHLLOKOSA-N 1 2 359.430 2.167 20 5 FEBDLO O=C(NCCCOC1CCOCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449933639 560245659 /nfs/dbraw/zinc/24/56/59/560245659.db2.gz CUFKXFHIMZUUBS-UHFFFAOYSA-N 1 2 374.397 2.096 20 5 FEBDLO CCOC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H](C)CC ZINC000449989330 560247454 /nfs/dbraw/zinc/24/74/54/560247454.db2.gz HQCYFVKDSKXHMN-MLGOLLRUSA-N 1 2 374.397 2.488 20 5 FEBDLO CC(C)OC(=O)[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450115513 560251099 /nfs/dbraw/zinc/25/10/99/560251099.db2.gz VROYBQAGVAFLNA-LBPRGKRZSA-N 1 2 360.370 2.193 20 5 FEBDLO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000450182821 560253132 /nfs/dbraw/zinc/25/31/32/560253132.db2.gz IAUBQZVBTORCGR-AWEZNQCLSA-N 1 2 356.382 2.448 20 5 FEBDLO CCOC(=O)CC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450283637 560256867 /nfs/dbraw/zinc/25/68/67/560256867.db2.gz ASEDATNXWUOSPI-LBPRGKRZSA-N 1 2 360.370 2.242 20 5 FEBDLO CC1(C)C[C@@H](O)CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000450855152 560275836 /nfs/dbraw/zinc/27/58/36/560275836.db2.gz LZNNPQTZBVUZCT-INIZCTEOSA-N 1 2 363.458 2.414 20 5 FEBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H](C2CC2)O1 ZINC000451324943 560300234 /nfs/dbraw/zinc/30/02/34/560300234.db2.gz MHTOWFYPNSIBGE-YVEFUNNKSA-N 1 2 356.382 2.420 20 5 FEBDLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n(C)n1 ZINC000451548752 560313707 /nfs/dbraw/zinc/31/37/07/560313707.db2.gz OGZGSBVPLGXOIB-HNNXBMFYSA-N 1 2 357.414 2.455 20 5 FEBDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n(C)n1 ZINC000451548752 560313708 /nfs/dbraw/zinc/31/37/08/560313708.db2.gz OGZGSBVPLGXOIB-HNNXBMFYSA-N 1 2 357.414 2.455 20 5 FEBDLO O=C(CCC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000451666427 560320725 /nfs/dbraw/zinc/32/07/25/560320725.db2.gz RYLFQWUONBQYEF-QGZVFWFLSA-N 1 2 368.393 2.126 20 5 FEBDLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000451876025 560333836 /nfs/dbraw/zinc/33/38/36/560333836.db2.gz XGYFDJUIEAEJGR-LBPRGKRZSA-N 1 2 374.363 2.349 20 5 FEBDLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000451876025 560333837 /nfs/dbraw/zinc/33/38/37/560333837.db2.gz XGYFDJUIEAEJGR-LBPRGKRZSA-N 1 2 374.363 2.349 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1[N+](=O)[O-] ZINC000451947011 560340083 /nfs/dbraw/zinc/34/00/83/560340083.db2.gz OECIBYNYKLWOJO-VXGBXAGGSA-N 1 2 350.400 2.392 20 5 FEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000456365682 560517634 /nfs/dbraw/zinc/51/76/34/560517634.db2.gz WBNMTJHHVRTCLF-CYBMUJFWSA-N 1 2 373.413 2.139 20 5 FEBDLO CCOC(=O)c1cc(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc([N+](=O)[O-])c1 ZINC000456401044 560519308 /nfs/dbraw/zinc/51/93/08/560519308.db2.gz VNTUTPVEOGQTHN-YGRLFVJLSA-N 1 2 358.354 2.404 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CCc1noc(Cn2ccc([N+](=O)[O-])n2)n1 ZINC000460819489 560752612 /nfs/dbraw/zinc/75/26/12/560752612.db2.gz YFHXSFKCXOROOI-UHFFFAOYSA-N 1 2 353.342 2.123 20 5 FEBDLO C/C=C/C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OCC ZINC000463417604 560813491 /nfs/dbraw/zinc/81/34/91/560813491.db2.gz PDSPMZZBHZTXPR-KQIUPUNMSA-N 1 2 372.381 2.408 20 5 FEBDLO CCN1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000471063892 560997188 /nfs/dbraw/zinc/99/71/88/560997188.db2.gz WLARNIFGZZDGHX-CJNGLKHVSA-N 1 2 372.429 2.024 20 5 FEBDLO CCN1CCN(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000474771934 561082467 /nfs/dbraw/zinc/08/24/67/561082467.db2.gz WGIRCRMTRSWNKT-CJNGLKHVSA-N 1 2 372.429 2.467 20 5 FEBDLO CC[C@@]1(C)COCC[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475097856 561090357 /nfs/dbraw/zinc/09/03/57/561090357.db2.gz RNOQCOINFFDLSS-KRWDZBQOSA-N 1 2 352.387 2.148 20 5 FEBDLO CC[C@@]1(C)COCC[N@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475097856 561090358 /nfs/dbraw/zinc/09/03/58/561090358.db2.gz RNOQCOINFFDLSS-KRWDZBQOSA-N 1 2 352.387 2.148 20 5 FEBDLO COC(=O)COc1ccc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000475127370 561091095 /nfs/dbraw/zinc/09/10/95/561091095.db2.gz FAPSBLRJZKJTDC-YNEHKIRRSA-N 1 2 352.387 2.144 20 5 FEBDLO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000475127370 561091096 /nfs/dbraw/zinc/09/10/96/561091096.db2.gz FAPSBLRJZKJTDC-YNEHKIRRSA-N 1 2 352.387 2.144 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000475720265 561103102 /nfs/dbraw/zinc/10/31/02/561103102.db2.gz JXJGQGIJTWHZGB-HNNXBMFYSA-N 1 2 357.414 2.113 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000475720265 561103103 /nfs/dbraw/zinc/10/31/03/561103103.db2.gz JXJGQGIJTWHZGB-HNNXBMFYSA-N 1 2 357.414 2.113 20 5 FEBDLO C[C@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CCN1c1nc2ccccc2o1 ZINC000475870531 561107072 /nfs/dbraw/zinc/10/70/72/561107072.db2.gz MVABZHYGAOOGQE-LBPRGKRZSA-N 1 2 356.386 2.180 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CCN1c1nc2ccccc2o1 ZINC000475870531 561107073 /nfs/dbraw/zinc/10/70/73/561107073.db2.gz MVABZHYGAOOGQE-LBPRGKRZSA-N 1 2 356.386 2.180 20 5 FEBDLO CC(C)OC1CC[NH+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000530923452 562428728 /nfs/dbraw/zinc/42/87/28/562428728.db2.gz DQPIYAAMSPEJLG-INIZCTEOSA-N 1 2 361.398 2.116 20 5 FEBDLO COc1ccc(CC(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)cc1[N+](=O)[O-] ZINC000532780784 562488786 /nfs/dbraw/zinc/48/87/86/562488786.db2.gz GTPPKCNMWUYHMP-AWEZNQCLSA-N 1 2 358.398 2.345 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(OC(C)C)CC1 ZINC000533338739 562505864 /nfs/dbraw/zinc/50/58/64/562505864.db2.gz HUGBUTZUUDUFQM-UHFFFAOYSA-N 1 2 351.403 2.431 20 5 FEBDLO O=C1C[C@@H]([N@@H+]2CCc3ccsc3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000535505702 562560105 /nfs/dbraw/zinc/56/01/05/562560105.db2.gz NTDPYTIOYLTXDN-CQSZACIVSA-N 1 2 357.391 2.347 20 5 FEBDLO O=C1C[C@@H]([N@H+]2CCc3ccsc3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000535505702 562560106 /nfs/dbraw/zinc/56/01/06/562560106.db2.gz NTDPYTIOYLTXDN-CQSZACIVSA-N 1 2 357.391 2.347 20 5 FEBDLO Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000535572554 562561651 /nfs/dbraw/zinc/56/16/51/562561651.db2.gz GXZJCFRLDLWSKU-WFASDCNBSA-N 1 2 363.805 2.455 20 5 FEBDLO Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000535572554 562561652 /nfs/dbraw/zinc/56/16/52/562561652.db2.gz GXZJCFRLDLWSKU-WFASDCNBSA-N 1 2 363.805 2.455 20 5 FEBDLO C[C@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000809808242 674510869 /nfs/dbraw/zinc/51/08/69/674510869.db2.gz LKTTYAFNJLZWQN-SECBINFHSA-N 1 2 365.814 2.150 20 5 FEBDLO O=[N+]([O-])c1cc(NCCc2cn3ccccc3[nH+]2)ccc1-c1nn[nH]n1 ZINC000823634229 606645160 /nfs/dbraw/zinc/64/51/60/606645160.db2.gz FAYKULSCSRPPSV-UHFFFAOYSA-N 1 2 350.342 2.077 20 5 FEBDLO Cc1cc(NCC[NH+]2CCC([NH+](C)C)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000584294320 672174585 /nfs/dbraw/zinc/17/45/85/672174585.db2.gz NSGGYVPTJNJABB-UHFFFAOYSA-N 1 2 350.419 2.039 20 5 FEBDLO CC(=O)OC1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000153531314 672200103 /nfs/dbraw/zinc/20/01/03/672200103.db2.gz PGEDWFDPSJNXIA-UHFFFAOYSA-N 1 2 355.778 2.214 20 5 FEBDLO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000611539018 676043103 /nfs/dbraw/zinc/04/31/03/676043103.db2.gz UUVWNHZXYCDBDR-INIZCTEOSA-N 1 2 364.427 2.001 20 5 FEBDLO O=C(C[NH+]1CCC(C2OCCO2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000195157127 672776807 /nfs/dbraw/zinc/77/68/07/672776807.db2.gz CXBSYQYJYSFANL-UHFFFAOYSA-N 1 2 369.805 2.272 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)c1 ZINC000612626231 676091045 /nfs/dbraw/zinc/09/10/45/676091045.db2.gz FESNWFITGXABEI-UHFFFAOYSA-N 1 2 353.444 2.070 20 5 FEBDLO CCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CC1 ZINC000596114506 673359992 /nfs/dbraw/zinc/35/99/92/673359992.db2.gz LIPZELKKLGHWCC-UHFFFAOYSA-N 1 2 371.821 2.193 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000597710633 673501499 /nfs/dbraw/zinc/50/14/99/673501499.db2.gz XCMYCAXRHSIDGV-CYBMUJFWSA-N 1 2 365.455 2.254 20 5 FEBDLO CC(C)[C@@H](CNC(=O)CSc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000543123008 673626606 /nfs/dbraw/zinc/62/66/06/673626606.db2.gz RLGKGYXLCMCPEA-OAHLLOKOSA-N 1 2 367.471 2.160 20 5 FEBDLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000741148206 673673179 /nfs/dbraw/zinc/67/31/79/673673179.db2.gz YRUKICGKHIJWTC-ZDUSSCGKSA-N 1 2 355.778 2.214 20 5 FEBDLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000741148206 673673180 /nfs/dbraw/zinc/67/31/80/673673180.db2.gz YRUKICGKHIJWTC-ZDUSSCGKSA-N 1 2 355.778 2.214 20 5 FEBDLO CCc1nc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cs1 ZINC000544069589 673686861 /nfs/dbraw/zinc/68/68/61/673686861.db2.gz GRQFHLHXOCRLOV-CYBMUJFWSA-N 1 2 351.428 2.485 20 5 FEBDLO CCc1nc(C[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cs1 ZINC000544069589 673686863 /nfs/dbraw/zinc/68/68/63/673686863.db2.gz GRQFHLHXOCRLOV-CYBMUJFWSA-N 1 2 351.428 2.485 20 5 FEBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH2+]C2(C(N)=O)CC2)cc1OC ZINC000544447647 673712348 /nfs/dbraw/zinc/71/23/48/673712348.db2.gz BENGBBQXVSUEMA-LLVKDONJSA-N 1 2 351.403 2.136 20 5 FEBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000544844455 673736073 /nfs/dbraw/zinc/73/60/73/673736073.db2.gz MHEGYRCUJABZQH-UHFFFAOYSA-N 1 2 358.379 2.259 20 5 FEBDLO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[NH+](CCCF)CC1 ZINC000600075380 673738749 /nfs/dbraw/zinc/73/87/49/673738749.db2.gz ORYNSTKOWJGOQK-UHFFFAOYSA-N 1 2 374.210 2.475 20 5 FEBDLO CC[NH+]1CCN(C(=O)[C@H](C)SCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000600569102 673779690 /nfs/dbraw/zinc/77/96/90/673779690.db2.gz GQCQXELAOOHAGP-AWEZNQCLSA-N 1 2 367.471 2.259 20 5 FEBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCN(c2cccc[nH+]2)CC1 ZINC000601099616 673825882 /nfs/dbraw/zinc/82/58/82/673825882.db2.gz BLKSQGJKWLTHJM-UHFFFAOYSA-N 1 2 356.308 2.069 20 5 FEBDLO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000821556632 675441221 /nfs/dbraw/zinc/44/12/21/675441221.db2.gz JCHFUVALJLGTRM-BETUJISGSA-N 1 2 367.833 2.160 20 5 FEBDLO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000821556632 675441225 /nfs/dbraw/zinc/44/12/25/675441225.db2.gz JCHFUVALJLGTRM-BETUJISGSA-N 1 2 367.833 2.160 20 5 FEBDLO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000823875651 675575352 /nfs/dbraw/zinc/57/53/52/675575352.db2.gz DSGVNSRENVSAHZ-INIZCTEOSA-N 1 2 361.423 2.034 20 5 FEBDLO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000619613046 676388064 /nfs/dbraw/zinc/38/80/64/676388064.db2.gz QUJWXPJWRQPAAI-KRWDZBQOSA-N 1 2 352.387 2.092 20 5 FEBDLO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000619613046 676388066 /nfs/dbraw/zinc/38/80/66/676388066.db2.gz QUJWXPJWRQPAAI-KRWDZBQOSA-N 1 2 352.387 2.092 20 5 FEBDLO CN(CC[NH+]1CCOCC1)Cc1cccc([N+](=O)[O-])c1Br ZINC000839481562 680755571 /nfs/dbraw/zinc/75/55/71/680755571.db2.gz RIJLOITWLNOBNJ-UHFFFAOYSA-N 1 2 358.236 2.121 20 5 FEBDLO C[C@H]1CC[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000840051942 680795286 /nfs/dbraw/zinc/79/52/86/680795286.db2.gz APKPEQZWVDHLPV-BLLLJJGKSA-N 1 2 351.428 2.317 20 5 FEBDLO C[C@H]1CC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000840051942 680795288 /nfs/dbraw/zinc/79/52/88/680795288.db2.gz APKPEQZWVDHLPV-BLLLJJGKSA-N 1 2 351.428 2.317 20 5 FEBDLO C[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000840155706 680803003 /nfs/dbraw/zinc/80/30/03/680803003.db2.gz VVZNVENNSTUGMD-CHWSQXEVSA-N 1 2 353.423 2.232 20 5 FEBDLO C[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000840155706 680803006 /nfs/dbraw/zinc/80/30/06/680803006.db2.gz VVZNVENNSTUGMD-CHWSQXEVSA-N 1 2 353.423 2.232 20 5 FEBDLO O=[N+]([O-])c1nn(C[N@@H+]2CC[C@H](C3CCOCC3)C2)cc1Br ZINC000754779386 680377518 /nfs/dbraw/zinc/37/75/18/680377518.db2.gz WMPRWBZUSJVVJT-NSHDSACASA-N 1 2 359.224 2.260 20 5 FEBDLO O=[N+]([O-])c1nn(C[N@H+]2CC[C@H](C3CCOCC3)C2)cc1Br ZINC000754779386 680377519 /nfs/dbraw/zinc/37/75/19/680377519.db2.gz WMPRWBZUSJVVJT-NSHDSACASA-N 1 2 359.224 2.260 20 5 FEBDLO O=C(NC1C[NH+](Cc2ccc(-c3ccsc3)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001030292645 680396883 /nfs/dbraw/zinc/39/68/83/680396883.db2.gz QERUDHNDWZPOIU-IAGOWNOFSA-N 1 2 357.435 2.381 20 5 FEBDLO C[N@H+](Cc1csc(C2CC2)n1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985432301 680447513 /nfs/dbraw/zinc/44/75/13/680447513.db2.gz ZBNVIPPFZJXHNP-HUUCEWRRSA-N 1 2 364.471 2.109 20 5 FEBDLO C[N@@H+](Cc1csc(C2CC2)n1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985432301 680447517 /nfs/dbraw/zinc/44/75/17/680447517.db2.gz ZBNVIPPFZJXHNP-HUUCEWRRSA-N 1 2 364.471 2.109 20 5 FEBDLO COc1ccc(CSCC(=O)OCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000771904378 681073880 /nfs/dbraw/zinc/07/38/80/681073880.db2.gz KBHDSFVGFJHDFV-UHFFFAOYSA-N 1 2 351.384 2.277 20 5 FEBDLO CCn1c[nH+]c2c1CCN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000933264085 681382251 /nfs/dbraw/zinc/38/22/51/681382251.db2.gz XSAQASMYGMIGAE-UHFFFAOYSA-N 1 2 363.805 2.461 20 5 FEBDLO C[C@H](C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[NH+]1CCSCC1 ZINC000913384792 685476066 /nfs/dbraw/zinc/47/60/66/685476066.db2.gz GDHKOUQDRDAJIJ-SECBINFHSA-N 1 2 361.826 2.441 20 5 FEBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000914239579 685500390 /nfs/dbraw/zinc/50/03/90/685500390.db2.gz IKWHYKGNHXLORS-UKRRQHHQSA-N 1 2 350.419 2.066 20 5 FEBDLO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC12CCCCC2 ZINC000853655675 682453065 /nfs/dbraw/zinc/45/30/65/682453065.db2.gz LZENDIGBZSBYOM-UHFFFAOYSA-N 1 2 367.471 2.453 20 5 FEBDLO C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC12CCCCC2 ZINC000853655675 682453068 /nfs/dbraw/zinc/45/30/68/682453068.db2.gz LZENDIGBZSBYOM-UHFFFAOYSA-N 1 2 367.471 2.453 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC=C(Br)C2)c1 ZINC000799328348 683445806 /nfs/dbraw/zinc/44/58/06/683445806.db2.gz RXQDSCZSCKSJQV-CYBMUJFWSA-N 1 2 357.204 2.319 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC=C(Br)C2)c1 ZINC000799328348 683445812 /nfs/dbraw/zinc/44/58/12/683445812.db2.gz RXQDSCZSCKSJQV-CYBMUJFWSA-N 1 2 357.204 2.319 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CC[C@@H](C(F)(F)F)O3)CC2)cn1 ZINC000929171159 683556683 /nfs/dbraw/zinc/55/66/83/683556683.db2.gz GXHAFDMQKLIQPH-STQMWFEESA-N 1 2 360.336 2.222 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000930315471 683709705 /nfs/dbraw/zinc/70/97/05/683709705.db2.gz KFKLCBHTQUACSE-ZDUSSCGKSA-N 1 2 350.419 2.396 20 5 FEBDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CC[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000931177401 683847051 /nfs/dbraw/zinc/84/70/51/683847051.db2.gz XZDMFZITNRSJKB-QWRGUYRKSA-N 1 2 355.357 2.288 20 5 FEBDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](CC[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000931177401 683847056 /nfs/dbraw/zinc/84/70/56/683847056.db2.gz XZDMFZITNRSJKB-QWRGUYRKSA-N 1 2 355.357 2.288 20 5 FEBDLO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC(n2cc[nH+]c2)C1 ZINC000865878722 684040069 /nfs/dbraw/zinc/04/00/69/684040069.db2.gz XXRFTRDDOJFREW-UHFFFAOYSA-N 1 2 365.187 2.180 20 5 FEBDLO C[C@H]1C[N@H+](CCNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000931400747 684276131 /nfs/dbraw/zinc/27/61/31/684276131.db2.gz CBLMFGNSBCMXTH-LBPRGKRZSA-N 1 2 355.822 2.018 20 5 FEBDLO C[C@H]1C[N@@H+](CCNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000931400747 684276135 /nfs/dbraw/zinc/27/61/35/684276135.db2.gz CBLMFGNSBCMXTH-LBPRGKRZSA-N 1 2 355.822 2.018 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000932081156 684404152 /nfs/dbraw/zinc/40/41/52/684404152.db2.gz QNNJAZBBZFPMPH-GWCFXTLKSA-N 1 2 366.361 2.314 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000932081156 684404154 /nfs/dbraw/zinc/40/41/54/684404154.db2.gz QNNJAZBBZFPMPH-GWCFXTLKSA-N 1 2 366.361 2.314 20 5 FEBDLO CONC(=O)C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000877786877 686457735 /nfs/dbraw/zinc/45/77/35/686457735.db2.gz BMGYCSDSZCRQKO-UHFFFAOYSA-N 1 2 372.219 2.247 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000877812539 686469390 /nfs/dbraw/zinc/46/93/90/686469390.db2.gz CQYGDZJNNMJBDZ-CALCHBBNSA-N 1 2 352.456 2.468 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000877812539 686469394 /nfs/dbraw/zinc/46/93/94/686469394.db2.gz CQYGDZJNNMJBDZ-CALCHBBNSA-N 1 2 352.456 2.468 20 5 FEBDLO CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000879334098 686797312 /nfs/dbraw/zinc/79/73/12/686797312.db2.gz GXYKVZPSJHLMBV-GFCCVEGCSA-N 1 2 354.382 2.026 20 5 FEBDLO CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000879334098 686797318 /nfs/dbraw/zinc/79/73/18/686797318.db2.gz GXYKVZPSJHLMBV-GFCCVEGCSA-N 1 2 354.382 2.026 20 5 FEBDLO CC[N@@H+]1CC[C@H]1CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000882961604 687534102 /nfs/dbraw/zinc/53/41/02/687534102.db2.gz RRLXCAMEDIXATP-ZDUSSCGKSA-N 1 2 363.805 2.300 20 5 FEBDLO CC[N@H+]1CC[C@H]1CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000882961604 687534105 /nfs/dbraw/zinc/53/41/05/687534105.db2.gz RRLXCAMEDIXATP-ZDUSSCGKSA-N 1 2 363.805 2.300 20 5 FEBDLO COc1c(O)ccc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC000892003794 689138189 /nfs/dbraw/zinc/13/81/89/689138189.db2.gz FBKVIZUMFHZCTB-TVQRCGJNSA-N 1 2 350.293 2.197 20 5 FEBDLO COc1c(O)ccc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC000892003794 689138193 /nfs/dbraw/zinc/13/81/93/689138193.db2.gz FBKVIZUMFHZCTB-TVQRCGJNSA-N 1 2 350.293 2.197 20 5 FEBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000909034500 691769822 /nfs/dbraw/zinc/76/98/22/691769822.db2.gz RTIWQUFYAZUIPC-CYBMUJFWSA-N 1 2 373.203 2.121 20 5 FEBDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000909034500 691769826 /nfs/dbraw/zinc/76/98/26/691769826.db2.gz RTIWQUFYAZUIPC-CYBMUJFWSA-N 1 2 373.203 2.121 20 5 FEBDLO O=C(Nc1ccn(CC(F)F)n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000482597902 848383864 /nfs/dbraw/zinc/38/38/64/848383864.db2.gz NFUZQIJKOYKQQS-UHFFFAOYSA-N 1 2 362.296 2.494 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000007224346 539451454 /nfs/dbraw/zinc/45/14/54/539451454.db2.gz FDDYFLTWGUDABS-AWEZNQCLSA-N 1 2 370.409 2.450 20 5 FEBDLO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016564548 539633335 /nfs/dbraw/zinc/63/33/35/539633335.db2.gz COJLSFQZVMFKQP-INIZCTEOSA-N 1 2 368.437 2.422 20 5 FEBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCCn1cc[nH+]c1 ZINC000025347339 539756978 /nfs/dbraw/zinc/75/69/78/539756978.db2.gz OWAMANTUOOVAEQ-UHFFFAOYSA-N 1 2 364.305 2.197 20 5 FEBDLO C[N@H+](CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccccc1[N+](=O)[O-] ZINC000026346165 539784505 /nfs/dbraw/zinc/78/45/05/539784505.db2.gz VDUAPJRGQIYULO-UHFFFAOYSA-N 1 2 357.366 2.072 20 5 FEBDLO C[N@@H+](CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccccc1[N+](=O)[O-] ZINC000026346165 539784507 /nfs/dbraw/zinc/78/45/07/539784507.db2.gz VDUAPJRGQIYULO-UHFFFAOYSA-N 1 2 357.366 2.072 20 5 FEBDLO CC(=O)c1ccc(NC[C@]2([NH+]3CCOCC3)CCSC2)c([N+](=O)[O-])c1 ZINC000029625789 539859363 /nfs/dbraw/zinc/85/93/63/539859363.db2.gz CQLSACFTGUHDKR-QGZVFWFLSA-N 1 2 365.455 2.417 20 5 FEBDLO CC(C)=CC[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000038262201 539998413 /nfs/dbraw/zinc/99/84/13/539998413.db2.gz LXGOPAZOTKYYKQ-UHFFFAOYSA-N 1 2 353.444 2.176 20 5 FEBDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000047253887 540298009 /nfs/dbraw/zinc/29/80/09/540298009.db2.gz QPBVGWXAMFOFIF-UHFFFAOYSA-N 1 2 358.398 2.087 20 5 FEBDLO C[N@H+](CC(=O)NCCOc1cccc(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000052589597 540476117 /nfs/dbraw/zinc/47/61/17/540476117.db2.gz KMCJPKMAPWLJFL-UHFFFAOYSA-N 1 2 361.373 2.361 20 5 FEBDLO C[N@@H+](CC(=O)NCCOc1cccc(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000052589597 540476119 /nfs/dbraw/zinc/47/61/19/540476119.db2.gz KMCJPKMAPWLJFL-UHFFFAOYSA-N 1 2 361.373 2.361 20 5 FEBDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3cccc([N+](=O)[O-])c3C)cn2c1 ZINC000055296000 540644859 /nfs/dbraw/zinc/64/48/59/540644859.db2.gz GMBNIIAZMUVOCP-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000061187293 541127028 /nfs/dbraw/zinc/12/70/28/541127028.db2.gz XZZZNDJAFWCKEE-UHFFFAOYSA-N 1 2 358.333 2.453 20 5 FEBDLO O=C(NCCCCn1cc[nH+]c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000065515732 541242513 /nfs/dbraw/zinc/24/25/13/541242513.db2.gz FTQOFCZLAAMMPH-UHFFFAOYSA-N 1 2 354.370 2.187 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CC(C)C)CC1 ZINC000067429107 541463147 /nfs/dbraw/zinc/46/31/47/541463147.db2.gz XRDIRMNTHSHBOA-UHFFFAOYSA-N 1 2 355.460 2.120 20 5 FEBDLO O=C(NCCCOC[C@@H]1CCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000068532581 541605156 /nfs/dbraw/zinc/60/51/56/541605156.db2.gz MNOINMMQMURIIL-HNNXBMFYSA-N 1 2 374.397 2.096 20 5 FEBDLO O=C(CCSc1ncccc1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000069294506 541675317 /nfs/dbraw/zinc/67/53/17/541675317.db2.gz DPEKFFJBBMECRR-UHFFFAOYSA-N 1 2 373.438 2.216 20 5 FEBDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000072014143 541779709 /nfs/dbraw/zinc/77/97/09/541779709.db2.gz UTBBRLMQFYPPHA-NSHDSACASA-N 1 2 351.357 2.490 20 5 FEBDLO CCOC1CC[NH+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000108715861 206037994 /nfs/dbraw/zinc/03/79/94/206037994.db2.gz BLIYWSHCYHDPFG-LBPRGKRZSA-N 1 2 351.403 2.431 20 5 FEBDLO NC(=O)CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000110633740 206078637 /nfs/dbraw/zinc/07/86/37/206078637.db2.gz BQGBEMNYUWCGEP-NSHDSACASA-N 1 2 368.821 2.164 20 5 FEBDLO NC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000110633740 206078644 /nfs/dbraw/zinc/07/86/44/206078644.db2.gz BQGBEMNYUWCGEP-NSHDSACASA-N 1 2 368.821 2.164 20 5 FEBDLO CN(C)c1ccc([NH+]2CCC(Nc3ncc([N+](=O)[O-])c(N)n3)CC2)cc1 ZINC000078413046 542460340 /nfs/dbraw/zinc/46/03/40/542460340.db2.gz CBXPZMRXVOSBEQ-UHFFFAOYSA-N 1 2 357.418 2.114 20 5 FEBDLO C[NH+](C)c1ccc(N2CCC(Nc3ncc([N+](=O)[O-])c(N)n3)CC2)cc1 ZINC000078413046 542460344 /nfs/dbraw/zinc/46/03/44/542460344.db2.gz CBXPZMRXVOSBEQ-UHFFFAOYSA-N 1 2 357.418 2.114 20 5 FEBDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000078699931 542477021 /nfs/dbraw/zinc/47/70/21/542477021.db2.gz FTSNTMBOANPUEH-KRWDZBQOSA-N 1 2 358.398 2.035 20 5 FEBDLO Cc1ccn2cc(CNC(=O)NCCNc3ccc([N+](=O)[O-])cc3)[nH+]c2c1 ZINC000080101793 542564594 /nfs/dbraw/zinc/56/45/94/542564594.db2.gz KWNIRMCBRAHQNG-UHFFFAOYSA-N 1 2 368.397 2.462 20 5 FEBDLO CC(C)OCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000080483042 542591823 /nfs/dbraw/zinc/59/18/23/542591823.db2.gz NLOOPZSDVMJATB-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)c1 ZINC000088699895 542755571 /nfs/dbraw/zinc/75/55/71/542755571.db2.gz IXWSFHDISFOASR-SFHVURJKSA-N 1 2 354.410 2.252 20 5 FEBDLO CCc1nn(C)c(NC[C@H](c2cccs2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000092827151 542889697 /nfs/dbraw/zinc/88/96/97/542889697.db2.gz YYBNQIXEQNEKOS-CYBMUJFWSA-N 1 2 365.459 2.438 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000101923011 543050109 /nfs/dbraw/zinc/05/01/09/543050109.db2.gz DVKVJQKPDMYXMK-UHFFFAOYSA-N 1 2 364.427 2.380 20 5 FEBDLO Cc1sc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000110956092 543375216 /nfs/dbraw/zinc/37/52/16/543375216.db2.gz NFRZANFUWANBAT-CYBMUJFWSA-N 1 2 353.444 2.292 20 5 FEBDLO O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000111124314 543382268 /nfs/dbraw/zinc/38/22/68/543382268.db2.gz WTHXRJLBGNHMKV-SFHVURJKSA-N 1 2 369.421 2.268 20 5 FEBDLO CC(C)C(=O)N1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000112648576 543455545 /nfs/dbraw/zinc/45/55/45/543455545.db2.gz VLQOOZGDDNIPOX-UHFFFAOYSA-N 1 2 373.413 2.335 20 5 FEBDLO CC(C)C(=O)N1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000112648576 543455546 /nfs/dbraw/zinc/45/55/46/543455546.db2.gz VLQOOZGDDNIPOX-UHFFFAOYSA-N 1 2 373.413 2.335 20 5 FEBDLO Cn1c[nH+]cc1CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000121246322 543691615 /nfs/dbraw/zinc/69/16/15/543691615.db2.gz LPCCIOLSNLSUMQ-UHFFFAOYSA-N 1 2 357.395 2.424 20 5 FEBDLO Cn1c[nH+]cc1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000121607817 543697223 /nfs/dbraw/zinc/69/72/23/543697223.db2.gz VRHCDMJLVWSQNT-UHFFFAOYSA-N 1 2 353.176 2.063 20 5 FEBDLO O=[N+]([O-])c1cc(CN2CC[C@@H]([NH+]3CCOCC3)C2)ccc1Br ZINC000123013013 543737259 /nfs/dbraw/zinc/73/72/59/543737259.db2.gz SEJLZTHDZJGZOJ-CYBMUJFWSA-N 1 2 370.247 2.264 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)ccc1Br ZINC000123013013 543737263 /nfs/dbraw/zinc/73/72/63/543737263.db2.gz SEJLZTHDZJGZOJ-CYBMUJFWSA-N 1 2 370.247 2.264 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)ccc1Br ZINC000123013013 543737267 /nfs/dbraw/zinc/73/72/67/543737267.db2.gz SEJLZTHDZJGZOJ-CYBMUJFWSA-N 1 2 370.247 2.264 20 5 FEBDLO C[N@@H+]1CC[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000124434446 543821272 /nfs/dbraw/zinc/82/12/72/543821272.db2.gz WUUBUKJNOCODHP-RISCZKNCSA-N 1 2 367.768 2.286 20 5 FEBDLO C[N@H+]1CC[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000124434446 543821275 /nfs/dbraw/zinc/82/12/75/543821275.db2.gz WUUBUKJNOCODHP-RISCZKNCSA-N 1 2 367.768 2.286 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000127550754 543999878 /nfs/dbraw/zinc/99/98/78/543999878.db2.gz NIASDCTUBDYBGG-OAHLLOKOSA-N 1 2 368.340 2.466 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000127550754 543999880 /nfs/dbraw/zinc/99/98/80/543999880.db2.gz NIASDCTUBDYBGG-OAHLLOKOSA-N 1 2 368.340 2.466 20 5 FEBDLO CCN(CC)C(=O)CN1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000129222356 544098588 /nfs/dbraw/zinc/09/85/88/544098588.db2.gz NOSHYHKBYCXZLJ-JXMROGBWSA-N 1 2 374.485 2.484 20 5 FEBDLO CCN(CC)C(=O)CN1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000129222356 544098590 /nfs/dbraw/zinc/09/85/90/544098590.db2.gz NOSHYHKBYCXZLJ-JXMROGBWSA-N 1 2 374.485 2.484 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000130206218 544142691 /nfs/dbraw/zinc/14/26/91/544142691.db2.gz ZGCLCDHMDZQDHK-GFCCVEGCSA-N 1 2 363.443 2.067 20 5 FEBDLO Cc1noc([C@@H]2CCC[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)n1 ZINC000132846635 544245864 /nfs/dbraw/zinc/24/58/64/544245864.db2.gz AKGTUBBVIIGMSX-CQSZACIVSA-N 1 2 371.397 2.055 20 5 FEBDLO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)n1 ZINC000132846635 544245865 /nfs/dbraw/zinc/24/58/65/544245865.db2.gz AKGTUBBVIIGMSX-CQSZACIVSA-N 1 2 371.397 2.055 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCOC4(CCOCC4)C3)n2)cc1 ZINC000135575152 544353651 /nfs/dbraw/zinc/35/36/51/544353651.db2.gz FLXZKDLOBMXLCO-UHFFFAOYSA-N 1 2 360.370 2.026 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCOC4(CCOCC4)C3)n2)cc1 ZINC000135575152 544353654 /nfs/dbraw/zinc/35/36/54/544353654.db2.gz FLXZKDLOBMXLCO-UHFFFAOYSA-N 1 2 360.370 2.026 20 5 FEBDLO Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000151497878 544549233 /nfs/dbraw/zinc/54/92/33/544549233.db2.gz WHNKZRSKAISSSE-CJNGLKHVSA-N 1 2 371.397 2.148 20 5 FEBDLO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153119545 544735703 /nfs/dbraw/zinc/73/57/03/544735703.db2.gz VEMQKNAMUMXVEX-ZDUSSCGKSA-N 1 2 374.441 2.500 20 5 FEBDLO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153119545 544735705 /nfs/dbraw/zinc/73/57/05/544735705.db2.gz VEMQKNAMUMXVEX-ZDUSSCGKSA-N 1 2 374.441 2.500 20 5 FEBDLO CC(C)c1ccc(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000154098567 544863634 /nfs/dbraw/zinc/86/36/34/544863634.db2.gz JWQDLFQQXGBLJL-AWEZNQCLSA-N 1 2 355.460 2.232 20 5 FEBDLO CC(C)c1ccc(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000154098567 544863637 /nfs/dbraw/zinc/86/36/37/544863637.db2.gz JWQDLFQQXGBLJL-AWEZNQCLSA-N 1 2 355.460 2.232 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000182170984 327764028 /nfs/dbraw/zinc/76/40/28/327764028.db2.gz ONJRPPKUCFSLET-UHFFFAOYSA-N 1 2 362.430 2.032 20 5 FEBDLO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nc(Cc2ccccc2)no1 ZINC000185417396 327915386 /nfs/dbraw/zinc/91/53/86/327915386.db2.gz FPCAAJORIUBBEF-ZDUSSCGKSA-N 1 2 369.381 2.081 20 5 FEBDLO CSc1cccc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000188109329 328066455 /nfs/dbraw/zinc/06/64/55/328066455.db2.gz VDPTYFHXBIBHAS-UHFFFAOYSA-N 1 2 353.444 2.157 20 5 FEBDLO CSc1cccc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000188109329 328066457 /nfs/dbraw/zinc/06/64/57/328066457.db2.gz VDPTYFHXBIBHAS-UHFFFAOYSA-N 1 2 353.444 2.157 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCOC[C@@]34CCOC4)o2)c1 ZINC000193731384 328392180 /nfs/dbraw/zinc/39/21/80/328392180.db2.gz MFIDFYRMAPDJCM-SFHVURJKSA-N 1 2 359.382 2.284 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCOC[C@@]34CCOC4)o2)c1 ZINC000193731384 328392181 /nfs/dbraw/zinc/39/21/81/328392181.db2.gz MFIDFYRMAPDJCM-SFHVURJKSA-N 1 2 359.382 2.284 20 5 FEBDLO O=C(CCOc1ccccc1[N+](=O)[O-])NCc1cccnc1-n1cc[nH+]c1 ZINC000194323635 328419795 /nfs/dbraw/zinc/41/97/95/328419795.db2.gz WWVDJBJXVZWONO-UHFFFAOYSA-N 1 2 367.365 2.261 20 5 FEBDLO O=C(CN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(F)cc1 ZINC000019539242 324391302 /nfs/dbraw/zinc/39/13/02/324391302.db2.gz WGWHPBHCROWLJV-UHFFFAOYSA-N 1 2 372.400 2.490 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)Cn2c3ccccc3[nH+]c2CCCO)c1 ZINC000047283143 324631145 /nfs/dbraw/zinc/63/11/45/324631145.db2.gz DEUFHBPRPPIKPJ-HNNXBMFYSA-N 1 2 371.393 2.309 20 5 FEBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000076667830 324959736 /nfs/dbraw/zinc/95/97/36/324959736.db2.gz SZYSGJWBIUVRBH-CQSZACIVSA-N 1 2 351.428 2.010 20 5 FEBDLO O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NCc1ccccc1 ZINC000078881932 325066148 /nfs/dbraw/zinc/06/61/48/325066148.db2.gz FKUNKLSCPQTOAF-UHFFFAOYSA-N 1 2 354.410 2.033 20 5 FEBDLO CN(CC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000079558601 325097047 /nfs/dbraw/zinc/09/70/47/325097047.db2.gz PQQKTZFWDSZIIX-UHFFFAOYSA-N 1 2 369.425 2.211 20 5 FEBDLO C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000080118622 325118338 /nfs/dbraw/zinc/11/83/38/325118338.db2.gz DUZUNAUFFLQASW-ZIAGYGMSSA-N 1 2 364.446 2.238 20 5 FEBDLO COc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000084091105 325228235 /nfs/dbraw/zinc/22/82/35/325228235.db2.gz SUOAOQISXHDLGP-BBRMVZONSA-N 1 2 356.444 2.391 20 5 FEBDLO COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000084091105 325228238 /nfs/dbraw/zinc/22/82/38/325228238.db2.gz SUOAOQISXHDLGP-BBRMVZONSA-N 1 2 356.444 2.391 20 5 FEBDLO CCOC(=O)CC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000089880537 325338480 /nfs/dbraw/zinc/33/84/80/325338480.db2.gz ZMINUYWEOLGSNH-GFCCVEGCSA-N 1 2 360.370 2.242 20 5 FEBDLO Cn1c2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)cc2[nH+]c1C1CC1 ZINC000089988950 325347570 /nfs/dbraw/zinc/34/75/70/325347570.db2.gz RGCJUCRYUIZOCR-UHFFFAOYSA-N 1 2 353.338 2.300 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)C2 ZINC000090168858 325355566 /nfs/dbraw/zinc/35/55/66/325355566.db2.gz JTQVHVBRGFFLEV-ZDUSSCGKSA-N 1 2 364.427 2.010 20 5 FEBDLO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1nccn1Cc1ccccc1 ZINC000090550923 325362953 /nfs/dbraw/zinc/36/29/53/325362953.db2.gz OGRDBFHLFAMKBI-UHFFFAOYSA-N 1 2 367.409 2.133 20 5 FEBDLO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1nccn1Cc1ccccc1 ZINC000090550923 325362955 /nfs/dbraw/zinc/36/29/55/325362955.db2.gz OGRDBFHLFAMKBI-UHFFFAOYSA-N 1 2 367.409 2.133 20 5 FEBDLO CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1[nH+]ccn1Cc1ccccc1 ZINC000090550923 325362957 /nfs/dbraw/zinc/36/29/57/325362957.db2.gz OGRDBFHLFAMKBI-UHFFFAOYSA-N 1 2 367.409 2.133 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000110203559 325684941 /nfs/dbraw/zinc/68/49/41/325684941.db2.gz OMLVWPHMGKRYPD-UHFFFAOYSA-N 1 2 359.411 2.286 20 5 FEBDLO Cc1n[nH]c(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000116204291 325999455 /nfs/dbraw/zinc/99/94/55/325999455.db2.gz PHBQREQENSLZHG-LBPRGKRZSA-N 1 2 358.333 2.018 20 5 FEBDLO COc1ccc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000120367225 326253130 /nfs/dbraw/zinc/25/31/30/326253130.db2.gz GGBNMEGIOILMHE-ZDUSSCGKSA-N 1 2 358.398 2.432 20 5 FEBDLO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000129993322 326549711 /nfs/dbraw/zinc/54/97/11/326549711.db2.gz CBIMMZQOQVGLLL-UHFFFAOYSA-N 1 2 371.393 2.024 20 5 FEBDLO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000131238599 326570674 /nfs/dbraw/zinc/57/06/74/326570674.db2.gz OFOHYEUMDQWFOZ-AWEZNQCLSA-N 1 2 355.398 2.187 20 5 FEBDLO CCOCCO[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000153316752 326729765 /nfs/dbraw/zinc/72/97/65/326729765.db2.gz XLUOBYZYZBPGRL-HNNXBMFYSA-N 1 2 374.397 2.048 20 5 FEBDLO Cc1nc(C2CC[NH+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC2)no1 ZINC000156836225 326845488 /nfs/dbraw/zinc/84/54/88/326845488.db2.gz CQZYRLVXKZIABX-UHFFFAOYSA-N 1 2 371.397 2.055 20 5 FEBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163277529 327047967 /nfs/dbraw/zinc/04/79/67/327047967.db2.gz GCWVSWHYNUKYTC-ZDUSSCGKSA-N 1 2 368.865 2.281 20 5 FEBDLO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCc1[nH]cc[nH+]1 ZINC000171756206 327159110 /nfs/dbraw/zinc/15/91/10/327159110.db2.gz BWXRJBQNLAEUJQ-UHFFFAOYSA-N 1 2 371.319 2.498 20 5 FEBDLO CCc1n[nH]c(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1[N+](=O)[O-] ZINC000171773797 327160729 /nfs/dbraw/zinc/16/07/29/327160729.db2.gz KXOBFJMSNQLJHB-UHFFFAOYSA-N 1 2 368.397 2.098 20 5 FEBDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc43)CC2)S1 ZINC000174417261 327326077 /nfs/dbraw/zinc/32/60/77/327326077.db2.gz NIZQVKQYHBPTDJ-LLVKDONJSA-N 1 2 373.438 2.325 20 5 FEBDLO C[C@H](c1ccc(F)cc1F)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174846961 327354927 /nfs/dbraw/zinc/35/49/27/327354927.db2.gz CXSGJUZONIXKLS-CYBMUJFWSA-N 1 2 365.384 2.448 20 5 FEBDLO C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000251038551 328786633 /nfs/dbraw/zinc/78/66/33/328786633.db2.gz KICPALFDIVLIHQ-RDBSUJKOSA-N 1 2 367.471 2.301 20 5 FEBDLO CCc1nc(CN2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000255422187 328801830 /nfs/dbraw/zinc/80/18/30/328801830.db2.gz CUTPZEGLLRSJPX-ALCCZGGFSA-N 1 2 357.414 2.371 20 5 FEBDLO COc1ccnc(N2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000255872477 328802815 /nfs/dbraw/zinc/80/28/15/328802815.db2.gz NPQSMQAQOJMKJA-XQRVVYSFSA-N 1 2 355.398 2.229 20 5 FEBDLO Cc1c(NC(=O)CC[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000265590769 329141216 /nfs/dbraw/zinc/14/12/16/329141216.db2.gz HWETWUHPGIXXFI-ORPWPGRKSA-N 1 2 353.444 2.073 20 5 FEBDLO Cc1c(NC(=O)CC[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000265590769 329141217 /nfs/dbraw/zinc/14/12/17/329141217.db2.gz HWETWUHPGIXXFI-ORPWPGRKSA-N 1 2 353.444 2.073 20 5 FEBDLO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2ccco2)CC1 ZINC000266163998 329196206 /nfs/dbraw/zinc/19/62/06/329196206.db2.gz OQNDWIAWSLWLMV-UHFFFAOYSA-N 1 2 372.381 2.467 20 5 FEBDLO O=C(NCCc1ccccc1[N+](=O)[O-])c1ccccc1C[NH+]1CCOCC1 ZINC000266921931 329273238 /nfs/dbraw/zinc/27/32/38/329273238.db2.gz QERFUCIWGCIEJW-UHFFFAOYSA-N 1 2 369.421 2.400 20 5 FEBDLO O=[N+]([O-])c1cnc(N2CCN(c3cccc[nH+]3)CC2)c(Br)c1 ZINC000267173882 329299340 /nfs/dbraw/zinc/29/93/40/329299340.db2.gz AMDJQVXEAKVTMT-UHFFFAOYSA-N 1 2 364.203 2.474 20 5 FEBDLO CS(=O)(=O)c1ccc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000267303590 329312613 /nfs/dbraw/zinc/31/26/13/329312613.db2.gz VFKULQNNLWHKEX-CYBMUJFWSA-N 1 2 350.400 2.453 20 5 FEBDLO COc1cc(NCc2ccc[nH+]c2N2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000271006096 329653812 /nfs/dbraw/zinc/65/38/12/329653812.db2.gz GZRFXGGYNRMGKR-UHFFFAOYSA-N 1 2 374.397 2.456 20 5 FEBDLO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000271727927 329719954 /nfs/dbraw/zinc/71/99/54/329719954.db2.gz MWFBDQSGCONBDQ-HUUCEWRRSA-N 1 2 362.430 2.162 20 5 FEBDLO COc1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000272821164 329815497 /nfs/dbraw/zinc/81/54/97/329815497.db2.gz LGIWDAHDKGICOX-UHFFFAOYSA-N 1 2 357.370 2.353 20 5 FEBDLO CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+]1CCOCC1 ZINC000414050773 330257901 /nfs/dbraw/zinc/25/79/01/330257901.db2.gz KXJQZMUMVNYFKH-UHFFFAOYSA-N 1 2 367.471 2.256 20 5 FEBDLO Cc1cccn2cc(CCNS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000155324151 545512346 /nfs/dbraw/zinc/51/23/46/545512346.db2.gz BINGHSIHSOKXGP-UHFFFAOYSA-N 1 2 374.422 2.213 20 5 FEBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000155491372 545533322 /nfs/dbraw/zinc/53/33/22/545533322.db2.gz LCMUYBGWFHAEQB-CQSZACIVSA-N 1 2 369.425 2.455 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000156342639 545618841 /nfs/dbraw/zinc/61/88/41/545618841.db2.gz IPGNMBRKWRFHKL-DYVFJYSZSA-N 1 2 356.382 2.470 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000156342639 545618843 /nfs/dbraw/zinc/61/88/43/545618843.db2.gz IPGNMBRKWRFHKL-DYVFJYSZSA-N 1 2 356.382 2.470 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000156559504 545635922 /nfs/dbraw/zinc/63/59/22/545635922.db2.gz JBMPRKIIJIYACB-CJNGLKHVSA-N 1 2 373.413 2.322 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000156559504 545635926 /nfs/dbraw/zinc/63/59/26/545635926.db2.gz JBMPRKIIJIYACB-CJNGLKHVSA-N 1 2 373.413 2.322 20 5 FEBDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000477372821 561143470 /nfs/dbraw/zinc/14/34/70/561143470.db2.gz AVDAVLPTZALATF-UHFFFAOYSA-N 1 2 368.397 2.464 20 5 FEBDLO CC(=O)NC[C@H]1C[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CCO1 ZINC000172190866 546239951 /nfs/dbraw/zinc/23/99/51/546239951.db2.gz VQFUDOIKMYFROG-KRWDZBQOSA-N 1 2 366.417 2.283 20 5 FEBDLO CC(=O)NC[C@H]1C[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CCO1 ZINC000172190866 546239954 /nfs/dbraw/zinc/23/99/54/546239954.db2.gz VQFUDOIKMYFROG-KRWDZBQOSA-N 1 2 366.417 2.283 20 5 FEBDLO Cc1c(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000176407791 546441105 /nfs/dbraw/zinc/44/11/05/546441105.db2.gz BRBDKJMFCMTKQZ-JTQLQIEISA-N 1 2 361.358 2.382 20 5 FEBDLO Cc1cccc(CCNc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])[nH+]1 ZINC000480496464 561210627 /nfs/dbraw/zinc/21/06/27/561210627.db2.gz IWYPMNSEOLRMGE-UHFFFAOYSA-N 1 2 370.409 2.425 20 5 FEBDLO CC[C@H](C)C[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000176897232 546502705 /nfs/dbraw/zinc/50/27/05/546502705.db2.gz YWXZZEGPTZPSRS-ZDUSSCGKSA-N 1 2 355.460 2.166 20 5 FEBDLO O=C(c1cccc(O)c1)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000177638893 546658790 /nfs/dbraw/zinc/65/87/90/546658790.db2.gz YKRIXTMGNJODOQ-UHFFFAOYSA-N 1 2 371.393 2.137 20 5 FEBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NC(=O)NC1CCCC1 ZINC000178075312 546734487 /nfs/dbraw/zinc/73/44/87/546734487.db2.gz MUKZLLKSBPPJKK-UHFFFAOYSA-N 1 2 360.414 2.328 20 5 FEBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NC(=O)NC1CCCC1 ZINC000178075312 546734491 /nfs/dbraw/zinc/73/44/91/546734491.db2.gz MUKZLLKSBPPJKK-UHFFFAOYSA-N 1 2 360.414 2.328 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)c1C ZINC000178372102 546783281 /nfs/dbraw/zinc/78/32/81/546783281.db2.gz KRIBRASGOXZJDT-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nnc(C4CC4)n3C3CC3)C2)nc1 ZINC000181465512 547319799 /nfs/dbraw/zinc/31/97/99/547319799.db2.gz FJHZWKTXCBRPCB-CYBMUJFWSA-N 1 2 369.429 2.480 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3nnc(C4CC4)n3C3CC3)C2)nc1 ZINC000181465512 547319803 /nfs/dbraw/zinc/31/98/03/547319803.db2.gz FJHZWKTXCBRPCB-CYBMUJFWSA-N 1 2 369.429 2.480 20 5 FEBDLO CN(C)C(=O)CC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000182221570 547456136 /nfs/dbraw/zinc/45/61/36/547456136.db2.gz BCQPBTNYHYQFBG-UHFFFAOYSA-N 1 2 373.413 2.335 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1[nH+]ccn1CC(C)C ZINC000182411814 547487985 /nfs/dbraw/zinc/48/79/85/547487985.db2.gz JAFZCUKXGXOYGJ-UHFFFAOYSA-N 1 2 352.416 2.234 20 5 FEBDLO COc1cccc([C@@H]2[C@@H](NC(=O)c3n[nH]cc3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000183264234 547629057 /nfs/dbraw/zinc/62/90/57/547629057.db2.gz DHQGMBUVHIVOKX-WMLDXEAASA-N 1 2 371.397 2.034 20 5 FEBDLO COc1cccc([C@@H]2[C@@H](NC(=O)c3n[nH]cc3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000183264234 547629061 /nfs/dbraw/zinc/62/90/61/547629061.db2.gz DHQGMBUVHIVOKX-WMLDXEAASA-N 1 2 371.397 2.034 20 5 FEBDLO CCc1ccc(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1[N+](=O)[O-] ZINC000185396541 547979899 /nfs/dbraw/zinc/97/98/99/547979899.db2.gz UVTKBIFDDUDDOO-UHFFFAOYSA-N 1 2 355.398 2.218 20 5 FEBDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000485701000 561326133 /nfs/dbraw/zinc/32/61/33/561326133.db2.gz HSELMISVPIYNAU-NSHDSACASA-N 1 2 351.403 2.196 20 5 FEBDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000485701000 561326134 /nfs/dbraw/zinc/32/61/34/561326134.db2.gz HSELMISVPIYNAU-NSHDSACASA-N 1 2 351.403 2.196 20 5 FEBDLO CC(C)[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000486633735 561352847 /nfs/dbraw/zinc/35/28/47/561352847.db2.gz VGOAVQCEBIPGAQ-ZDUSSCGKSA-N 1 2 361.851 2.209 20 5 FEBDLO CC(C)[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000486633735 561352848 /nfs/dbraw/zinc/35/28/48/561352848.db2.gz VGOAVQCEBIPGAQ-ZDUSSCGKSA-N 1 2 361.851 2.209 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000486637327 561353058 /nfs/dbraw/zinc/35/30/58/561353058.db2.gz OZQDQRRJTBGPIL-HNNXBMFYSA-N 1 2 355.460 2.118 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000486637327 561353059 /nfs/dbraw/zinc/35/30/59/561353059.db2.gz OZQDQRRJTBGPIL-HNNXBMFYSA-N 1 2 355.460 2.118 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000486636567 561353076 /nfs/dbraw/zinc/35/30/76/561353076.db2.gz DGLZMNLEGOLBOL-AWEZNQCLSA-N 1 2 355.460 2.172 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000486636567 561353077 /nfs/dbraw/zinc/35/30/77/561353077.db2.gz DGLZMNLEGOLBOL-AWEZNQCLSA-N 1 2 355.460 2.172 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1C ZINC000486636511 561353083 /nfs/dbraw/zinc/35/30/83/561353083.db2.gz CXJNFIFISFEXRR-OAHLLOKOSA-N 1 2 355.460 2.172 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1C ZINC000486636511 561353084 /nfs/dbraw/zinc/35/30/84/561353084.db2.gz CXJNFIFISFEXRR-OAHLLOKOSA-N 1 2 355.460 2.172 20 5 FEBDLO COc1ccc(CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000487730296 561374791 /nfs/dbraw/zinc/37/47/91/561374791.db2.gz YUFIYHMRQCNAOL-UKRRQHHQSA-N 1 2 370.409 2.387 20 5 FEBDLO O=C(NCCOCC(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000247305262 549314340 /nfs/dbraw/zinc/31/43/40/549314340.db2.gz GSXSUFSQRZQAEZ-UHFFFAOYSA-N 1 2 358.276 2.089 20 5 FEBDLO CC[C@@H](C)NC(=O)CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489202051 561405552 /nfs/dbraw/zinc/40/55/52/561405552.db2.gz CMMNMOOVHABHAB-GFCCVEGCSA-N 1 2 357.414 2.499 20 5 FEBDLO CCN(CC)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000248257484 549417759 /nfs/dbraw/zinc/41/77/59/549417759.db2.gz OZUKTYDXIMMYBT-UHFFFAOYSA-N 1 2 371.441 2.133 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000251512478 549647305 /nfs/dbraw/zinc/64/73/05/549647305.db2.gz CFHMJBKJNNYLBF-LRDDRELGSA-N 1 2 351.403 2.289 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000251512478 549647309 /nfs/dbraw/zinc/64/73/09/549647309.db2.gz CFHMJBKJNNYLBF-LRDDRELGSA-N 1 2 351.403 2.289 20 5 FEBDLO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H](C)O1 ZINC000253603834 549698548 /nfs/dbraw/zinc/69/85/48/549698548.db2.gz NMBQYUBSAFPBMV-UPJWGTAASA-N 1 2 353.444 2.370 20 5 FEBDLO Cc1nn(CCC(=O)NCc2cn3ccc(C)cc3[nH+]2)c(C)c1[N+](=O)[O-] ZINC000263671012 549916568 /nfs/dbraw/zinc/91/65/68/549916568.db2.gz MDLAPWHNCLLAKE-UHFFFAOYSA-N 1 2 356.386 2.071 20 5 FEBDLO CCc1cc(NC[C@H]2CC[C@@H](C(N)=O)O2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000268317458 550048775 /nfs/dbraw/zinc/04/87/75/550048775.db2.gz LYYUZMOFSJPSIG-CABCVRRESA-N 1 2 371.397 2.059 20 5 FEBDLO CC(C)(CNc1ccc2cc([N+](=O)[O-])ccc2n1)[NH+]1CCS(=O)CC1 ZINC000269563284 550206792 /nfs/dbraw/zinc/20/67/92/550206792.db2.gz JUVDFOFGLNBQIA-UHFFFAOYSA-N 1 2 362.455 2.398 20 5 FEBDLO COC(=O)[C@H]1c2ccccc2CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269654214 550214388 /nfs/dbraw/zinc/21/43/88/550214388.db2.gz NXPHXXUTVLKMHG-QZTJIDSGSA-N 1 2 356.378 2.401 20 5 FEBDLO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269654214 550214390 /nfs/dbraw/zinc/21/43/90/550214390.db2.gz NXPHXXUTVLKMHG-QZTJIDSGSA-N 1 2 356.378 2.401 20 5 FEBDLO CC[C@@H]1C[N@H+](CCNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000494686780 561474303 /nfs/dbraw/zinc/47/43/03/561474303.db2.gz SEZVTIURROBJHS-CZUORRHYSA-N 1 2 350.419 2.066 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000494686780 561474304 /nfs/dbraw/zinc/47/43/04/561474304.db2.gz SEZVTIURROBJHS-CZUORRHYSA-N 1 2 350.419 2.066 20 5 FEBDLO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc2c1OCO2 ZINC000278007562 550738576 /nfs/dbraw/zinc/73/85/76/550738576.db2.gz IYDBAHWYOSLMBN-SMDDNHRTSA-N 1 2 374.353 2.299 20 5 FEBDLO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc2c1OCO2 ZINC000278007562 550738578 /nfs/dbraw/zinc/73/85/78/550738578.db2.gz IYDBAHWYOSLMBN-SMDDNHRTSA-N 1 2 374.353 2.299 20 5 FEBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@@H](c2ccccc2)C1 ZINC000279185898 550862921 /nfs/dbraw/zinc/86/29/21/550862921.db2.gz IWPRGOCZWIMAPD-QGZVFWFLSA-N 1 2 358.373 2.445 20 5 FEBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@@H](c2ccccc2)C1 ZINC000279185898 550862922 /nfs/dbraw/zinc/86/29/22/550862922.db2.gz IWPRGOCZWIMAPD-QGZVFWFLSA-N 1 2 358.373 2.445 20 5 FEBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000279432989 550889748 /nfs/dbraw/zinc/88/97/48/550889748.db2.gz ZCFMTSGARFNASU-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000279432989 550889749 /nfs/dbraw/zinc/88/97/49/550889749.db2.gz ZCFMTSGARFNASU-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280587308 551010456 /nfs/dbraw/zinc/01/04/56/551010456.db2.gz UBBUUAWUCASICL-FZKQIMNGSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280587308 551010457 /nfs/dbraw/zinc/01/04/57/551010457.db2.gz UBBUUAWUCASICL-FZKQIMNGSA-N 1 2 363.414 2.192 20 5 FEBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c([N+](=O)[O-])cc1OC ZINC000280617837 551014113 /nfs/dbraw/zinc/01/41/13/551014113.db2.gz ZLTPCYGLQMVHGZ-ZJNRKIDTSA-N 1 2 366.414 2.380 20 5 FEBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c([N+](=O)[O-])cc1OC ZINC000280617837 551014114 /nfs/dbraw/zinc/01/41/14/551014114.db2.gz ZLTPCYGLQMVHGZ-ZJNRKIDTSA-N 1 2 366.414 2.380 20 5 FEBDLO COC(=O)[C@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)O1 ZINC000282264364 551203238 /nfs/dbraw/zinc/20/32/38/551203238.db2.gz OBLFZDNOWPGOCT-IUODEOHRSA-N 1 2 372.381 2.127 20 5 FEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284294446 551517283 /nfs/dbraw/zinc/51/72/83/551517283.db2.gz ZODFRQDRYRPAPX-VBNZEHGJSA-N 1 2 365.455 2.007 20 5 FEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284294446 551517284 /nfs/dbraw/zinc/51/72/84/551517284.db2.gz ZODFRQDRYRPAPX-VBNZEHGJSA-N 1 2 365.455 2.007 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000287520350 552014843 /nfs/dbraw/zinc/01/48/43/552014843.db2.gz VFLAULMALNRINR-JSGCOSHPSA-N 1 2 358.398 2.011 20 5 FEBDLO CCOC1CC(CNc2c(F)cccc2[N+](=O)[O-])([NH+]2CCOCC2)C1 ZINC000287830730 552052339 /nfs/dbraw/zinc/05/23/39/552052339.db2.gz QYJCSEVHXDWNKD-UHFFFAOYSA-N 1 2 353.394 2.416 20 5 FEBDLO COc1cc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)cc([N+](=O)[O-])c1C ZINC000288993681 552249626 /nfs/dbraw/zinc/24/96/26/552249626.db2.gz JEPLVWRTGJAURI-OAHLLOKOSA-N 1 2 360.370 2.498 20 5 FEBDLO COc1cc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)cc([N+](=O)[O-])c1C ZINC000288993681 552249627 /nfs/dbraw/zinc/24/96/27/552249627.db2.gz JEPLVWRTGJAURI-OAHLLOKOSA-N 1 2 360.370 2.498 20 5 FEBDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000500484119 561574774 /nfs/dbraw/zinc/57/47/74/561574774.db2.gz FHPZYVVVHMSOHN-CYBMUJFWSA-N 1 2 359.386 2.135 20 5 FEBDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000500484119 561574775 /nfs/dbraw/zinc/57/47/75/561574775.db2.gz FHPZYVVVHMSOHN-CYBMUJFWSA-N 1 2 359.386 2.135 20 5 FEBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000500690815 561579495 /nfs/dbraw/zinc/57/94/95/561579495.db2.gz SZXHLNDSWYPUNC-UHFFFAOYSA-N 1 2 364.793 2.321 20 5 FEBDLO C[NH+](C)[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1c(F)cccc1F ZINC000290486005 552486622 /nfs/dbraw/zinc/48/66/22/552486622.db2.gz BYRAPQQELXEPFF-GFCCVEGCSA-N 1 2 365.340 2.082 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)ccc1Cl ZINC000292908966 552770171 /nfs/dbraw/zinc/77/01/71/552770171.db2.gz HFUOCVABMLJFIK-CYBMUJFWSA-N 1 2 351.794 2.169 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)ccc1Cl ZINC000292908966 552770173 /nfs/dbraw/zinc/77/01/73/552770173.db2.gz HFUOCVABMLJFIK-CYBMUJFWSA-N 1 2 351.794 2.169 20 5 FEBDLO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000294681414 552926119 /nfs/dbraw/zinc/92/61/19/552926119.db2.gz BPONHHOXYIIUKE-RUZDIDTESA-N 1 2 368.455 2.179 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295180749 552967267 /nfs/dbraw/zinc/96/72/67/552967267.db2.gz BTUPJZGVYRUXDG-AWEZNQCLSA-N 1 2 364.427 2.241 20 5 FEBDLO COCCOc1ccccc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296178935 553117620 /nfs/dbraw/zinc/11/76/20/553117620.db2.gz ZLKVGOPNLBSGDP-UHFFFAOYSA-N 1 2 372.425 2.337 20 5 FEBDLO C[C@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])c4nonc43)c[nH+]2)CCO1 ZINC000298688638 553458911 /nfs/dbraw/zinc/45/89/11/553458911.db2.gz CGJRLDNYYCAVSF-NSHDSACASA-N 1 2 370.369 2.363 20 5 FEBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(Cl)cc1 ZINC000503701249 561647147 /nfs/dbraw/zinc/64/71/47/561647147.db2.gz PIKNDWPSGOCWTJ-CYBMUJFWSA-N 1 2 360.761 2.224 20 5 FEBDLO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[NH+](Cc2cccnc2)CC1 ZINC000299305450 553545438 /nfs/dbraw/zinc/54/54/38/553545438.db2.gz QKSLGOSFWAFNAL-UHFFFAOYSA-N 1 2 365.393 2.429 20 5 FEBDLO NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000301091992 553620523 /nfs/dbraw/zinc/62/05/23/553620523.db2.gz FUKABEJUIOLHGN-UHFFFAOYSA-N 1 2 356.317 2.026 20 5 FEBDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000301087642 553620762 /nfs/dbraw/zinc/62/07/62/553620762.db2.gz NGDBSFWDTHOPBI-HZPDHXFCSA-N 1 2 360.458 2.412 20 5 FEBDLO C[C@@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000301644930 553668546 /nfs/dbraw/zinc/66/85/46/553668546.db2.gz OVTLFXYXNBPSRJ-MLGOLLRUSA-N 1 2 364.427 2.282 20 5 FEBDLO Cc1cc(NC[C@@H]2CCCS2(=O)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301711273 553673710 /nfs/dbraw/zinc/67/37/10/553673710.db2.gz KMUKNMJPMPSAGX-AWEZNQCLSA-N 1 2 362.411 2.349 20 5 FEBDLO COc1cc(OC)cc([C@H](Nc2ncc([N+](=O)[O-])cn2)c2[nH+]ccn2C)c1 ZINC000302113628 553704749 /nfs/dbraw/zinc/70/47/49/553704749.db2.gz QQJXIOAGQAEDJH-HNNXBMFYSA-N 1 2 370.369 2.337 20 5 FEBDLO O=[N+]([O-])c1cnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)nc1 ZINC000302153221 553707315 /nfs/dbraw/zinc/70/73/15/553707315.db2.gz LJWREISBPTXILX-UHFFFAOYSA-N 1 2 363.805 2.239 20 5 FEBDLO Cc1cccc(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000302468495 553717825 /nfs/dbraw/zinc/71/78/25/553717825.db2.gz CCKPPSLPWZCZLJ-UHFFFAOYSA-N 1 2 369.425 2.449 20 5 FEBDLO CC1(C)CN(c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1CCO ZINC000302510158 553719594 /nfs/dbraw/zinc/71/95/94/553719594.db2.gz FWGPQXZYBHQOJE-UHFFFAOYSA-N 1 2 358.236 2.250 20 5 FEBDLO CC1(C)CN(c2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1CCO ZINC000302510158 553719595 /nfs/dbraw/zinc/71/95/95/553719595.db2.gz FWGPQXZYBHQOJE-UHFFFAOYSA-N 1 2 358.236 2.250 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cccnc1-n1cc[nH+]c1 ZINC000302668400 553724436 /nfs/dbraw/zinc/72/44/36/553724436.db2.gz QPNRSQJTFTZQPA-UHFFFAOYSA-N 1 2 373.394 2.191 20 5 FEBDLO CCC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000506767129 561708173 /nfs/dbraw/zinc/70/81/73/561708173.db2.gz LHAPEYIKJXKGHX-ZDUSSCGKSA-N 1 2 372.443 2.011 20 5 FEBDLO CCC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000506767129 561708175 /nfs/dbraw/zinc/70/81/75/561708175.db2.gz LHAPEYIKJXKGHX-ZDUSSCGKSA-N 1 2 372.443 2.011 20 5 FEBDLO CCOc1cc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000331856818 554332068 /nfs/dbraw/zinc/33/20/68/554332068.db2.gz AUUXCVAOGFRPID-DJIMGWMZSA-N 1 2 350.415 2.355 20 5 FEBDLO CCOc1cc(C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000331856818 554332072 /nfs/dbraw/zinc/33/20/72/554332072.db2.gz AUUXCVAOGFRPID-DJIMGWMZSA-N 1 2 350.415 2.355 20 5 FEBDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000331948844 554350973 /nfs/dbraw/zinc/35/09/73/554350973.db2.gz QOSXRMNLUNEXFW-HNNXBMFYSA-N 1 2 360.458 2.160 20 5 FEBDLO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000331948844 554350974 /nfs/dbraw/zinc/35/09/74/554350974.db2.gz QOSXRMNLUNEXFW-HNNXBMFYSA-N 1 2 360.458 2.160 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000332538165 554467158 /nfs/dbraw/zinc/46/71/58/554467158.db2.gz ZCTAHDWBMNDQKP-CABCVRRESA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000332538165 554467159 /nfs/dbraw/zinc/46/71/59/554467159.db2.gz ZCTAHDWBMNDQKP-CABCVRRESA-N 1 2 367.471 2.459 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1-c1noc(-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000350905483 554821276 /nfs/dbraw/zinc/82/12/76/554821276.db2.gz VLQLZFNLYJTOIE-UHFFFAOYSA-N 1 2 351.326 2.290 20 5 FEBDLO CN(C(=O)C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000362996441 555006565 /nfs/dbraw/zinc/00/65/65/555006565.db2.gz CUXHVTLZUAEDCD-QGZVFWFLSA-N 1 2 374.441 2.035 20 5 FEBDLO CN(C(=O)C[N@H+]1CCCC[C@@H]1CN1CCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000362996441 555006566 /nfs/dbraw/zinc/00/65/66/555006566.db2.gz CUXHVTLZUAEDCD-QGZVFWFLSA-N 1 2 374.441 2.035 20 5 FEBDLO Cc1c(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000511901244 561884716 /nfs/dbraw/zinc/88/47/16/561884716.db2.gz GYQJJTXGZUGXCF-UHFFFAOYSA-N 1 2 369.425 2.326 20 5 FEBDLO Cc1cc(N2CCC(N(C)C(=O)[C@H]3C[C@@H]3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000363494040 555119998 /nfs/dbraw/zinc/11/99/98/555119998.db2.gz XYEWWELBFKEWBL-GJZGRUSLSA-N 1 2 361.446 2.001 20 5 FEBDLO O=C([C@H]1CCCO1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000363714615 555170206 /nfs/dbraw/zinc/17/02/06/555170206.db2.gz QVGZMJJROJTIDQ-MRXNPFEDSA-N 1 2 367.833 2.462 20 5 FEBDLO O=C([C@H]1CCCO1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000363714615 555170207 /nfs/dbraw/zinc/17/02/07/555170207.db2.gz QVGZMJJROJTIDQ-MRXNPFEDSA-N 1 2 367.833 2.462 20 5 FEBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000363962036 555222755 /nfs/dbraw/zinc/22/27/55/555222755.db2.gz HULWMFRYXCSPEL-NSHDSACASA-N 1 2 356.791 2.497 20 5 FEBDLO COCCc1noc(C[N@H+]2CC=C(c3cc(C)c(N)c([N+](=O)[O-])c3)CC2)n1 ZINC000364361058 555298783 /nfs/dbraw/zinc/29/87/83/555298783.db2.gz KGAMAPIJKPBHBZ-UHFFFAOYSA-N 1 2 373.413 2.347 20 5 FEBDLO COCCc1noc(C[N@@H+]2CC=C(c3cc(C)c(N)c([N+](=O)[O-])c3)CC2)n1 ZINC000364361058 555298786 /nfs/dbraw/zinc/29/87/86/555298786.db2.gz KGAMAPIJKPBHBZ-UHFFFAOYSA-N 1 2 373.413 2.347 20 5 FEBDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000364997223 555460940 /nfs/dbraw/zinc/46/09/40/555460940.db2.gz WUMHHVMSYSQFPY-UHFFFAOYSA-N 1 2 370.365 2.117 20 5 FEBDLO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1cccnc1Cl ZINC000365122483 555490397 /nfs/dbraw/zinc/49/03/97/555490397.db2.gz LRHDNYSBQNIEGC-UHFFFAOYSA-N 1 2 364.793 2.115 20 5 FEBDLO COC(=O)c1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000513226924 561930101 /nfs/dbraw/zinc/93/01/01/561930101.db2.gz NHSJTHIMDFEANA-UHFFFAOYSA-N 1 2 370.321 2.090 20 5 FEBDLO O=C(C[N@@H+]1CC[C@@H](Oc2ccncc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000365736271 555654924 /nfs/dbraw/zinc/65/49/24/555654924.db2.gz NOFCPDIUXAWAII-QGZVFWFLSA-N 1 2 368.393 2.032 20 5 FEBDLO O=C(C[N@H+]1CC[C@@H](Oc2ccncc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000365736271 555654926 /nfs/dbraw/zinc/65/49/26/555654926.db2.gz NOFCPDIUXAWAII-QGZVFWFLSA-N 1 2 368.393 2.032 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(c4nc[nH]n4)CC3)o2)cc1 ZINC000365920627 555701314 /nfs/dbraw/zinc/70/13/14/555701314.db2.gz SJCXBXOEICDHEE-UHFFFAOYSA-N 1 2 355.358 2.143 20 5 FEBDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000366093831 555749294 /nfs/dbraw/zinc/74/92/94/555749294.db2.gz HGJUOQJNYSQFHM-QGZVFWFLSA-N 1 2 357.414 2.437 20 5 FEBDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000366093831 555749295 /nfs/dbraw/zinc/74/92/95/555749295.db2.gz HGJUOQJNYSQFHM-QGZVFWFLSA-N 1 2 357.414 2.437 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+]CCNC(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000513703392 561947238 /nfs/dbraw/zinc/94/72/38/561947238.db2.gz VDQNVVLWGBOKKB-MRXNPFEDSA-N 1 2 369.381 2.030 20 5 FEBDLO CCC(=O)N1CC[C@@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000513702957 561947254 /nfs/dbraw/zinc/94/72/54/561947254.db2.gz OXSOHFKDXZVBNH-PBHICJAKSA-N 1 2 357.414 2.018 20 5 FEBDLO CC[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000366267368 555797520 /nfs/dbraw/zinc/79/75/20/555797520.db2.gz IHEOBJFPULNAGJ-IAGOWNOFSA-N 1 2 362.430 2.208 20 5 FEBDLO CC[C@@H](NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000366267368 555797523 /nfs/dbraw/zinc/79/75/23/555797523.db2.gz IHEOBJFPULNAGJ-IAGOWNOFSA-N 1 2 362.430 2.208 20 5 FEBDLO CC[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@]2(CCOC2)O1 ZINC000366585566 555883589 /nfs/dbraw/zinc/88/35/89/555883589.db2.gz GVWAIELBXGJQPO-QAPCUYQASA-N 1 2 374.397 2.415 20 5 FEBDLO CC[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@]2(CCOC2)O1 ZINC000366585566 555883590 /nfs/dbraw/zinc/88/35/90/555883590.db2.gz GVWAIELBXGJQPO-QAPCUYQASA-N 1 2 374.397 2.415 20 5 FEBDLO C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000514208139 561963681 /nfs/dbraw/zinc/96/36/81/561963681.db2.gz JQGBSTKEYDTQOS-MNOVXSKESA-N 1 2 373.356 2.035 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000367348274 556024604 /nfs/dbraw/zinc/02/46/04/556024604.db2.gz GYKKXLSIEZWHDV-XYJFISCASA-N 1 2 369.425 2.161 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000367556389 556081681 /nfs/dbraw/zinc/08/16/81/556081681.db2.gz YAAMSRRIMVKBFA-DYVFJYSZSA-N 1 2 370.409 2.336 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000367556389 556081684 /nfs/dbraw/zinc/08/16/84/556081684.db2.gz YAAMSRRIMVKBFA-DYVFJYSZSA-N 1 2 370.409 2.336 20 5 FEBDLO CCOc1cccc(NC[C@@]2([NH+]3CCOCC3)CCCOC2)c1[N+](=O)[O-] ZINC000368097322 556218512 /nfs/dbraw/zinc/21/85/12/556218512.db2.gz IVRAHPPKNWEYEF-SFHVURJKSA-N 1 2 365.430 2.287 20 5 FEBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C[C@@H](C)O2 ZINC000369318496 556573324 /nfs/dbraw/zinc/57/33/24/556573324.db2.gz DCPLOUHVHQLMCI-FHSNZYRGSA-N 1 2 374.397 2.413 20 5 FEBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C[C@@H](C)O2 ZINC000369318496 556573326 /nfs/dbraw/zinc/57/33/26/556573326.db2.gz DCPLOUHVHQLMCI-FHSNZYRGSA-N 1 2 374.397 2.413 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000369349984 556576351 /nfs/dbraw/zinc/57/63/51/556576351.db2.gz PUUOMPDBVLFSCN-ZDUSSCGKSA-N 1 2 364.427 2.205 20 5 FEBDLO CN(C(=O)c1cccc([N+](=O)[O-])c1N)C1CCN(c2cccc[nH+]2)CC1 ZINC000370155288 556796339 /nfs/dbraw/zinc/79/63/39/556796339.db2.gz FDDCVMFSUOOVMZ-UHFFFAOYSA-N 1 2 355.398 2.313 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000370508743 556894707 /nfs/dbraw/zinc/89/47/07/556894707.db2.gz QKPCVIALKAFYOM-KBPBESRZSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000370508743 556894709 /nfs/dbraw/zinc/89/47/09/556894709.db2.gz QKPCVIALKAFYOM-KBPBESRZSA-N 1 2 363.414 2.192 20 5 FEBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000370961969 557028813 /nfs/dbraw/zinc/02/88/13/557028813.db2.gz YHNUTAMDRKISKL-ZDUSSCGKSA-N 1 2 350.400 2.027 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cnn(-c3ccc([N+](=O)[O-])cc3)c1)C2 ZINC000371490312 557197354 /nfs/dbraw/zinc/19/73/54/557197354.db2.gz DKZQYQZANLSFSV-AWEZNQCLSA-N 1 2 366.381 2.030 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(c4nc[nH]n4)CC3)n2)cc1 ZINC000371917194 557329204 /nfs/dbraw/zinc/32/92/04/557329204.db2.gz ARFHAGGNEUMYHJ-UHFFFAOYSA-N 1 2 355.358 2.143 20 5 FEBDLO CCc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000518762725 562117873 /nfs/dbraw/zinc/11/78/73/562117873.db2.gz MEQLNFXGZGDVAZ-HNNXBMFYSA-N 1 2 367.427 2.331 20 5 FEBDLO CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CCN(c2cc[nH+]cc2)CC1 ZINC000372329285 557441315 /nfs/dbraw/zinc/44/13/15/557441315.db2.gz GOOYJZJKFAQIJQ-UHFFFAOYSA-N 1 2 356.382 2.436 20 5 FEBDLO Cn1cc[nH+]c1[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccccc1F ZINC000519548313 562134404 /nfs/dbraw/zinc/13/44/04/562134404.db2.gz TXBUNPHGCDFELG-CYBMUJFWSA-N 1 2 370.344 2.163 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1F ZINC000372986390 557603763 /nfs/dbraw/zinc/60/37/63/557603763.db2.gz XPKKTIIQWJVBHC-CQSZACIVSA-N 1 2 365.405 2.369 20 5 FEBDLO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000373582230 557722866 /nfs/dbraw/zinc/72/28/66/557722866.db2.gz LWWYXWBKOHQGIF-OLZOCXBDSA-N 1 2 370.377 2.285 20 5 FEBDLO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000373582230 557722868 /nfs/dbraw/zinc/72/28/68/557722868.db2.gz LWWYXWBKOHQGIF-OLZOCXBDSA-N 1 2 370.377 2.285 20 5 FEBDLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000373582232 557722952 /nfs/dbraw/zinc/72/29/52/557722952.db2.gz LWWYXWBKOHQGIF-STQMWFEESA-N 1 2 370.377 2.285 20 5 FEBDLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000373582232 557722954 /nfs/dbraw/zinc/72/29/54/557722954.db2.gz LWWYXWBKOHQGIF-STQMWFEESA-N 1 2 370.377 2.285 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000373805375 557762706 /nfs/dbraw/zinc/76/27/06/557762706.db2.gz OAAXZUCHHBZISS-GLJUWKHASA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000373805375 557762709 /nfs/dbraw/zinc/76/27/09/557762709.db2.gz OAAXZUCHHBZISS-GLJUWKHASA-N 1 2 363.414 2.192 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000373811623 557764561 /nfs/dbraw/zinc/76/45/61/557764561.db2.gz FQPBDCMXDHGGBW-UHFFFAOYSA-N 1 2 353.338 2.114 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1)CCC2 ZINC000373843604 557771631 /nfs/dbraw/zinc/77/16/31/557771631.db2.gz LZWKCEDQZVEHLW-CQSZACIVSA-N 1 2 358.398 2.481 20 5 FEBDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374650534 557912011 /nfs/dbraw/zinc/91/20/11/557912011.db2.gz YCNLGCWLWKMSBF-IRIUXVKKSA-N 1 2 357.332 2.021 20 5 FEBDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374650534 557912012 /nfs/dbraw/zinc/91/20/12/557912012.db2.gz YCNLGCWLWKMSBF-IRIUXVKKSA-N 1 2 357.332 2.021 20 5 FEBDLO COc1ccccc1[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[NH2+]1 ZINC000374813264 557934908 /nfs/dbraw/zinc/93/49/08/557934908.db2.gz ZCJLJPCZRVOWPG-HNNXBMFYSA-N 1 2 374.372 2.111 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)ccc1Cl ZINC000374830680 557937498 /nfs/dbraw/zinc/93/74/98/557937498.db2.gz SCKUEPUKHCHMTD-UHFFFAOYSA-N 1 2 373.862 2.248 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)ccc1Cl ZINC000374830680 557937500 /nfs/dbraw/zinc/93/75/00/557937500.db2.gz SCKUEPUKHCHMTD-UHFFFAOYSA-N 1 2 373.862 2.248 20 5 FEBDLO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000374878848 557945071 /nfs/dbraw/zinc/94/50/71/557945071.db2.gz OFKPOGXUCOSFBM-CYBMUJFWSA-N 1 2 362.773 2.136 20 5 FEBDLO CN(C)c1[nH+]cccc1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000521290468 562173790 /nfs/dbraw/zinc/17/37/90/562173790.db2.gz CKWOSZSOVBYNMQ-UHFFFAOYSA-N 1 2 357.414 2.440 20 5 FEBDLO Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375388816 558019295 /nfs/dbraw/zinc/01/92/95/558019295.db2.gz DZTINIQJLILLFT-INIZCTEOSA-N 1 2 357.414 2.053 20 5 FEBDLO Cc1ccccc1CNC(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375388816 558019297 /nfs/dbraw/zinc/01/92/97/558019297.db2.gz DZTINIQJLILLFT-INIZCTEOSA-N 1 2 357.414 2.053 20 5 FEBDLO COC(=O)c1cnc(N[C@H]2CCCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000375462968 558031330 /nfs/dbraw/zinc/03/13/30/558031330.db2.gz WLMIQXMJDYLNSM-ZDUSSCGKSA-N 1 2 357.370 2.252 20 5 FEBDLO O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000376598998 558195847 /nfs/dbraw/zinc/19/58/47/558195847.db2.gz GWABTMNZFHHCSD-UHFFFAOYSA-N 1 2 352.350 2.476 20 5 FEBDLO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1c[nH+]ccc1-n1ccnn1 ZINC000377450902 558343117 /nfs/dbraw/zinc/34/31/17/558343117.db2.gz CGWYQITYIQGMBK-UHFFFAOYSA-N 1 2 353.342 2.011 20 5 FEBDLO O=C(C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)NCc1ccccc1 ZINC000522097461 562191345 /nfs/dbraw/zinc/19/13/45/562191345.db2.gz BRZHOBHTMYUARA-UHFFFAOYSA-N 1 2 354.410 2.033 20 5 FEBDLO Cc1cc(N2CCN3C(=O)OC[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000378158290 558492755 /nfs/dbraw/zinc/49/27/55/558492755.db2.gz KMXXYKYQOAQQRG-CQSZACIVSA-N 1 2 355.354 2.001 20 5 FEBDLO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C3CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000378349600 558536388 /nfs/dbraw/zinc/53/63/88/558536388.db2.gz KIIOPRKWCNTTIH-CQSZACIVSA-N 1 2 363.414 2.103 20 5 FEBDLO COc1cc(C[N@H+]2CC[C@@H](NC(=O)C3CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000378349600 558536391 /nfs/dbraw/zinc/53/63/91/558536391.db2.gz KIIOPRKWCNTTIH-CQSZACIVSA-N 1 2 363.414 2.103 20 5 FEBDLO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000378377324 558543912 /nfs/dbraw/zinc/54/39/12/558543912.db2.gz NXPCYZROEHVJDW-UHFFFAOYSA-N 1 2 367.833 2.462 20 5 FEBDLO CCOC(=O)c1cc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc([N+](=O)[O-])c1 ZINC000378404533 558549121 /nfs/dbraw/zinc/54/91/21/558549121.db2.gz BEPDBOOBIIRSGO-AWEZNQCLSA-N 1 2 358.354 2.472 20 5 FEBDLO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000408184628 558654834 /nfs/dbraw/zinc/65/48/34/558654834.db2.gz ZVCZYDXFYZOYLE-NWDGAFQWSA-N 1 2 373.862 2.496 20 5 FEBDLO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000408184628 558654835 /nfs/dbraw/zinc/65/48/35/558654835.db2.gz ZVCZYDXFYZOYLE-NWDGAFQWSA-N 1 2 373.862 2.496 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000408338924 558668376 /nfs/dbraw/zinc/66/83/76/558668376.db2.gz NBAPQFHDWXHOIG-CABCVRRESA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000408338924 558668378 /nfs/dbraw/zinc/66/83/78/558668378.db2.gz NBAPQFHDWXHOIG-CABCVRRESA-N 1 2 367.471 2.459 20 5 FEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411698171 558946451 /nfs/dbraw/zinc/94/64/51/558946451.db2.gz SVLSOZGYYSGEAR-CYBMUJFWSA-N 1 2 353.444 2.156 20 5 FEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411698171 558946452 /nfs/dbraw/zinc/94/64/52/558946452.db2.gz SVLSOZGYYSGEAR-CYBMUJFWSA-N 1 2 353.444 2.156 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCc3c(cnn3C)C2)c([N+](=O)[O-])c1 ZINC000411846304 558974966 /nfs/dbraw/zinc/97/49/66/558974966.db2.gz PMPKKQYPIWTWAB-GFCCVEGCSA-N 1 2 373.413 2.112 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCc3c(cnn3C)C2)c([N+](=O)[O-])c1 ZINC000411846304 558974969 /nfs/dbraw/zinc/97/49/69/558974969.db2.gz PMPKKQYPIWTWAB-GFCCVEGCSA-N 1 2 373.413 2.112 20 5 FEBDLO Cc1nnc([C@H]2CC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)[nH]1 ZINC000412041964 559005254 /nfs/dbraw/zinc/00/52/54/559005254.db2.gz NMISTEAOSAKERM-LBPRGKRZSA-N 1 2 355.358 2.061 20 5 FEBDLO Cc1nnc([C@H]2CC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)[nH]1 ZINC000412041964 559005256 /nfs/dbraw/zinc/00/52/56/559005256.db2.gz NMISTEAOSAKERM-LBPRGKRZSA-N 1 2 355.358 2.061 20 5 FEBDLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)n1 ZINC000412041964 559005257 /nfs/dbraw/zinc/00/52/57/559005257.db2.gz NMISTEAOSAKERM-LBPRGKRZSA-N 1 2 355.358 2.061 20 5 FEBDLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)n1 ZINC000412041964 559005259 /nfs/dbraw/zinc/00/52/59/559005259.db2.gz NMISTEAOSAKERM-LBPRGKRZSA-N 1 2 355.358 2.061 20 5 FEBDLO Cc1nc([C@H]2CC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)n[nH]1 ZINC000412041964 559005260 /nfs/dbraw/zinc/00/52/60/559005260.db2.gz NMISTEAOSAKERM-LBPRGKRZSA-N 1 2 355.358 2.061 20 5 FEBDLO Cc1nc([C@H]2CC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)n[nH]1 ZINC000412041964 559005262 /nfs/dbraw/zinc/00/52/62/559005262.db2.gz NMISTEAOSAKERM-LBPRGKRZSA-N 1 2 355.358 2.061 20 5 FEBDLO CCOCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC1 ZINC000412103018 559014021 /nfs/dbraw/zinc/01/40/21/559014021.db2.gz YLCGQLXNWFGOLV-UHFFFAOYSA-N 1 2 365.430 2.176 20 5 FEBDLO O=C(N[C@H]1CCCC(F)(F)[C@@H]1O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000412830275 559057687 /nfs/dbraw/zinc/05/76/87/559057687.db2.gz YEIKIHNVBONCAC-SMDDNHRTSA-N 1 2 366.324 2.059 20 5 FEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@H](n4cc(CO)nn4)C3)c2c1 ZINC000413299885 559096788 /nfs/dbraw/zinc/09/67/88/559096788.db2.gz PCKQTOVAAZJYCB-HNNXBMFYSA-N 1 2 354.370 2.068 20 5 FEBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000413784009 559130136 /nfs/dbraw/zinc/13/01/36/559130136.db2.gz NZTGZCADROSVGK-RCCFBDPRSA-N 1 2 352.394 2.266 20 5 FEBDLO C[NH2+]Cc1noc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)n1 ZINC000414497829 559168796 /nfs/dbraw/zinc/16/87/96/559168796.db2.gz GVLRATXFXSHWOZ-ZDUSSCGKSA-N 1 2 367.793 2.478 20 5 FEBDLO COc1cc(C[NH+]2CC(CO)(c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000414545219 559170720 /nfs/dbraw/zinc/17/07/20/559170720.db2.gz DXBCWWDUVWDERV-UHFFFAOYSA-N 1 2 358.394 2.358 20 5 FEBDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416428746 559312222 /nfs/dbraw/zinc/31/22/22/559312222.db2.gz RYVRUZCOUASULR-UHFFFAOYSA-N 1 2 365.411 2.448 20 5 FEBDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000418939296 559422683 /nfs/dbraw/zinc/42/26/83/559422683.db2.gz FNRCQMZXUOHLLY-KRWDZBQOSA-N 1 2 368.409 2.216 20 5 FEBDLO CC(C)[N@@H+]1CCO[C@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)C1 ZINC000420506745 559490066 /nfs/dbraw/zinc/49/00/66/559490066.db2.gz SZLIAWMXMUJVRN-HNNXBMFYSA-N 1 2 361.402 2.414 20 5 FEBDLO CC(C)[N@H+]1CCO[C@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)C1 ZINC000420506745 559490067 /nfs/dbraw/zinc/49/00/67/559490067.db2.gz SZLIAWMXMUJVRN-HNNXBMFYSA-N 1 2 361.402 2.414 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](O)CC23CCC3)c([N+](=O)[O-])c1 ZINC000420988491 559517819 /nfs/dbraw/zinc/51/78/19/559517819.db2.gz AGVQVOXICLIDAU-CYBMUJFWSA-N 1 2 363.414 2.311 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](O)CC23CCC3)c([N+](=O)[O-])c1 ZINC000420988491 559517820 /nfs/dbraw/zinc/51/78/20/559517820.db2.gz AGVQVOXICLIDAU-CYBMUJFWSA-N 1 2 363.414 2.311 20 5 FEBDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427930380 559765483 /nfs/dbraw/zinc/76/54/83/559765483.db2.gz ROTRSBJDLHJJNL-UHFFFAOYSA-N 1 2 357.366 2.385 20 5 FEBDLO CCN1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000433110004 559871997 /nfs/dbraw/zinc/87/19/97/559871997.db2.gz NCQOUUAWBCKXSC-INIZCTEOSA-N 1 2 357.414 2.074 20 5 FEBDLO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000436954997 559957537 /nfs/dbraw/zinc/95/75/37/559957537.db2.gz BTWZPPXCBKHEMO-UHFFFAOYSA-N 1 2 372.381 2.443 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3nc(CC(F)(F)F)no3)C2)nc1 ZINC000440487076 560012004 /nfs/dbraw/zinc/01/20/04/560012004.db2.gz KNXUVMPRYVLOGQ-VIFPVBQESA-N 1 2 372.307 2.164 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3nc(CC(F)(F)F)no3)C2)nc1 ZINC000440487076 560012005 /nfs/dbraw/zinc/01/20/05/560012005.db2.gz KNXUVMPRYVLOGQ-VIFPVBQESA-N 1 2 372.307 2.164 20 5 FEBDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000441177835 560025627 /nfs/dbraw/zinc/02/56/27/560025627.db2.gz RTCPAMAOHNURLW-AWEZNQCLSA-N 1 2 352.387 2.400 20 5 FEBDLO CCOC(=O)[C@@H]1CCCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000441177835 560025628 /nfs/dbraw/zinc/02/56/28/560025628.db2.gz RTCPAMAOHNURLW-AWEZNQCLSA-N 1 2 352.387 2.400 20 5 FEBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000444383326 560112559 /nfs/dbraw/zinc/11/25/59/560112559.db2.gz IXODTNYDCBPVBP-CYBMUJFWSA-N 1 2 367.471 2.236 20 5 FEBDLO O=C(NCCCNc1cccc[nH+]1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444851198 560122781 /nfs/dbraw/zinc/12/27/81/560122781.db2.gz QCCJRTYHMWVKJU-UHFFFAOYSA-N 1 2 369.385 2.168 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCOCC(F)(F)F ZINC000447802431 560169417 /nfs/dbraw/zinc/16/94/17/560169417.db2.gz KQMZTYVSSAPTRF-UHFFFAOYSA-N 1 2 363.336 2.418 20 5 FEBDLO COC(=O)CCN(CC(C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448749818 560197656 /nfs/dbraw/zinc/19/76/56/560197656.db2.gz OIXWHAYAPKKJNK-UHFFFAOYSA-N 1 2 374.397 2.442 20 5 FEBDLO CN(CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)CC(F)(F)F ZINC000448968978 560209254 /nfs/dbraw/zinc/20/92/54/560209254.db2.gz MSEBGEYXRXZHQU-UHFFFAOYSA-N 1 2 371.319 2.004 20 5 FEBDLO O=C(NCCCOC[C@H]1CCCO1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448972182 560209609 /nfs/dbraw/zinc/20/96/09/560209609.db2.gz RMUGYDJQNUGSJW-OAHLLOKOSA-N 1 2 374.397 2.096 20 5 FEBDLO CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000449473137 560231357 /nfs/dbraw/zinc/23/13/57/560231357.db2.gz QZAZMUQKDNLAAV-UHFFFAOYSA-N 1 2 367.402 2.274 20 5 FEBDLO COC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000450036882 560248880 /nfs/dbraw/zinc/24/88/80/560248880.db2.gz BHTSVECFZOTHEM-CQSZACIVSA-N 1 2 372.303 2.478 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000450061999 560249506 /nfs/dbraw/zinc/24/95/06/560249506.db2.gz ZRTARFFRRNSDRN-OAHLLOKOSA-N 1 2 366.381 2.282 20 5 FEBDLO COC(=O)c1coc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000450449622 560262664 /nfs/dbraw/zinc/26/26/64/560262664.db2.gz FQPCJWPCZVSXOJ-UHFFFAOYSA-N 1 2 361.354 2.413 20 5 FEBDLO C[C@H]1C[C@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450824506 560274802 /nfs/dbraw/zinc/27/48/02/560274802.db2.gz CWQOQWNXXBIEJU-GWCFXTLKSA-N 1 2 365.415 2.160 20 5 FEBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451428026 560306377 /nfs/dbraw/zinc/30/63/77/560306377.db2.gz KDRVLQACYVPYOC-PSLIRLAXSA-N 1 2 354.313 2.408 20 5 FEBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451428026 560306378 /nfs/dbraw/zinc/30/63/78/560306378.db2.gz KDRVLQACYVPYOC-PSLIRLAXSA-N 1 2 354.313 2.408 20 5 FEBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451428027 560306465 /nfs/dbraw/zinc/30/64/65/560306465.db2.gz KDRVLQACYVPYOC-RFAUZJTJSA-N 1 2 354.313 2.408 20 5 FEBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451428027 560306466 /nfs/dbraw/zinc/30/64/66/560306466.db2.gz KDRVLQACYVPYOC-RFAUZJTJSA-N 1 2 354.313 2.408 20 5 FEBDLO CCO[C@@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1C ZINC000451535630 560312826 /nfs/dbraw/zinc/31/28/26/560312826.db2.gz YTVNIIHEZGMWMH-SMDDNHRTSA-N 1 2 365.386 2.009 20 5 FEBDLO CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1C ZINC000451535630 560312827 /nfs/dbraw/zinc/31/28/27/560312827.db2.gz YTVNIIHEZGMWMH-SMDDNHRTSA-N 1 2 365.386 2.009 20 5 FEBDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CCO2 ZINC000451644436 560318940 /nfs/dbraw/zinc/31/89/40/560318940.db2.gz TZFCIKMFDBYMMA-UHFFFAOYSA-N 1 2 357.366 2.097 20 5 FEBDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CCO2 ZINC000451644436 560318941 /nfs/dbraw/zinc/31/89/41/560318941.db2.gz TZFCIKMFDBYMMA-UHFFFAOYSA-N 1 2 357.366 2.097 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000451689702 560322044 /nfs/dbraw/zinc/32/20/44/560322044.db2.gz MMZJEAMETPLGHO-AWEZNQCLSA-N 1 2 364.427 2.241 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451891822 560335149 /nfs/dbraw/zinc/33/51/49/560335149.db2.gz OSSLLHONPPFDOS-BREBYQMCSA-N 1 2 361.320 2.167 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451891822 560335150 /nfs/dbraw/zinc/33/51/50/560335150.db2.gz OSSLLHONPPFDOS-BREBYQMCSA-N 1 2 361.320 2.167 20 5 FEBDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000451936620 560339107 /nfs/dbraw/zinc/33/91/07/560339107.db2.gz YNVCXBRVFSDHME-GFCCVEGCSA-N 1 2 352.416 2.468 20 5 FEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000453574994 560389314 /nfs/dbraw/zinc/38/93/14/560389314.db2.gz JXGYKIORIQCJKM-UHFFFAOYSA-N 1 2 364.409 2.498 20 5 FEBDLO Cc1cc(C)c(CNC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c[nH+]1 ZINC000454041567 560424213 /nfs/dbraw/zinc/42/42/13/560424213.db2.gz YNDXPTFKSVXCAT-UHFFFAOYSA-N 1 2 356.382 2.478 20 5 FEBDLO CNc1nc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000454296846 560438308 /nfs/dbraw/zinc/43/83/08/560438308.db2.gz CUKYZMLBKKRHOH-UHFFFAOYSA-N 1 2 369.425 2.298 20 5 FEBDLO CC[C@H](C)N(CC(=O)OC)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000456038561 560505276 /nfs/dbraw/zinc/50/52/76/560505276.db2.gz PIRBTLCHBUNMQN-LBPRGKRZSA-N 1 2 360.370 2.194 20 5 FEBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1cn(C)c[nH+]1 ZINC000457854355 560590551 /nfs/dbraw/zinc/59/05/51/560590551.db2.gz KBQDTXXMJFSEIR-JTQLQIEISA-N 1 2 352.778 2.108 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000469844330 560966374 /nfs/dbraw/zinc/96/63/74/560966374.db2.gz YPHFGUTYPDQWRX-GXSJLCMTSA-N 1 2 355.778 2.070 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000469844330 560966375 /nfs/dbraw/zinc/96/63/75/560966375.db2.gz YPHFGUTYPDQWRX-GXSJLCMTSA-N 1 2 355.778 2.070 20 5 FEBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000470134894 560974994 /nfs/dbraw/zinc/97/49/94/560974994.db2.gz UANRYPAZPYJBLW-UHFFFAOYSA-N 1 2 359.361 2.479 20 5 FEBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCO1 ZINC000470450542 560982418 /nfs/dbraw/zinc/98/24/18/560982418.db2.gz BMAZNVSHIQGDMM-GFCCVEGCSA-N 1 2 373.356 2.037 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCO1 ZINC000470450542 560982419 /nfs/dbraw/zinc/98/24/19/560982419.db2.gz BMAZNVSHIQGDMM-GFCCVEGCSA-N 1 2 373.356 2.037 20 5 FEBDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000474229398 561068925 /nfs/dbraw/zinc/06/89/25/561068925.db2.gz VUKQPOPMITXKCZ-GDBMZVCRSA-N 1 2 366.414 2.141 20 5 FEBDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000474229398 561068926 /nfs/dbraw/zinc/06/89/26/561068926.db2.gz VUKQPOPMITXKCZ-GDBMZVCRSA-N 1 2 366.414 2.141 20 5 FEBDLO CCN1CCN(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000474771935 561082488 /nfs/dbraw/zinc/08/24/88/561082488.db2.gz WGIRCRMTRSWNKT-CZUORRHYSA-N 1 2 372.429 2.467 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000530645461 562418889 /nfs/dbraw/zinc/41/88/89/562418889.db2.gz CMBMNJYDRBAHLO-UHFFFAOYSA-N 1 2 354.366 2.448 20 5 FEBDLO COc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000530703570 562421171 /nfs/dbraw/zinc/42/11/71/562421171.db2.gz UIZUBBDXENPYAX-UHFFFAOYSA-N 1 2 368.296 2.098 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000530719403 562421773 /nfs/dbraw/zinc/42/17/73/562421773.db2.gz NLLQULFPXFCQRK-UHFFFAOYSA-N 1 2 358.354 2.109 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000530719403 562421774 /nfs/dbraw/zinc/42/17/74/562421774.db2.gz NLLQULFPXFCQRK-UHFFFAOYSA-N 1 2 358.354 2.109 20 5 FEBDLO Cc1[nH+]c2cc(NC(=O)C(=O)NCc3ccc([N+](=O)[O-])cc3)ccc2n1C ZINC000531320409 562442064 /nfs/dbraw/zinc/44/20/64/562442064.db2.gz XEQNKSAPOXFLCP-UHFFFAOYSA-N 1 2 367.365 2.045 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n1 ZINC000531949679 562462438 /nfs/dbraw/zinc/46/24/38/562462438.db2.gz UXQUJOKWQGUYJL-UHFFFAOYSA-N 1 2 370.409 2.392 20 5 FEBDLO Cc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[NH+]2CCOCC2)c1 ZINC000532388317 562476162 /nfs/dbraw/zinc/47/61/62/562476162.db2.gz PBDUQVZKOZOAJA-GOSISDBHSA-N 1 2 370.409 2.102 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3[nH+]ccn3CC(F)(F)F)C2)nc1 ZINC000532704546 562486153 /nfs/dbraw/zinc/48/61/53/562486153.db2.gz RWGOICCEBSQMHE-LLVKDONJSA-N 1 2 370.335 2.435 20 5 FEBDLO COc1cc[nH+]c(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 ZINC000533239610 562502504 /nfs/dbraw/zinc/50/25/04/562502504.db2.gz LNDRPOZBWZGMQB-UHFFFAOYSA-N 1 2 362.411 2.018 20 5 FEBDLO Cc1ccc2nc(C[N@@H+]3CCc4c(cccc4[N+](=O)[O-])C3)cc(=O)n2c1 ZINC000533804322 562518513 /nfs/dbraw/zinc/51/85/13/562518513.db2.gz VWZYOCLLJIGLMX-UHFFFAOYSA-N 1 2 350.378 2.469 20 5 FEBDLO Cc1ccc2nc(C[N@H+]3CCc4c(cccc4[N+](=O)[O-])C3)cc(=O)n2c1 ZINC000533804322 562518514 /nfs/dbraw/zinc/51/85/14/562518514.db2.gz VWZYOCLLJIGLMX-UHFFFAOYSA-N 1 2 350.378 2.469 20 5 FEBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000540979325 562599397 /nfs/dbraw/zinc/59/93/97/562599397.db2.gz QNFVGHANOIVDKE-UHFFFAOYSA-N 1 2 366.381 2.320 20 5 FEBDLO CC(=O)c1ccc(N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c([N+](=O)[O-])c1 ZINC000541190152 562605481 /nfs/dbraw/zinc/60/54/81/562605481.db2.gz QLLNVRWSIFRUTL-OAHLLOKOSA-N 1 2 371.397 2.134 20 5 FEBDLO Cc1ccc(Cc2noc(CCNC(=O)c3ccc([N+](=O)[O-])cc3)n2)c[nH+]1 ZINC000546341724 562636247 /nfs/dbraw/zinc/63/62/47/562636247.db2.gz KLHSRQQZBZJBCF-UHFFFAOYSA-N 1 2 367.365 2.245 20 5 FEBDLO O=C(Cc1ccccc1[N+](=O)[O-])NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601852244 567860670 /nfs/dbraw/zinc/86/06/70/567860670.db2.gz UMNJSFXRMUFASF-UHFFFAOYSA-N 1 2 372.450 2.402 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000570365242 568480874 /nfs/dbraw/zinc/48/08/74/568480874.db2.gz JHXFETDILWROSF-UHFFFAOYSA-N 1 2 350.338 2.164 20 5 FEBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)C2CC2)c1 ZINC000826499234 607518331 /nfs/dbraw/zinc/51/83/31/607518331.db2.gz AJLNXOATYOLCMV-UHFFFAOYSA-N 1 2 351.370 2.335 20 5 FEBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)C2CC2)c1 ZINC000826499234 607518333 /nfs/dbraw/zinc/51/83/33/607518333.db2.gz AJLNXOATYOLCMV-UHFFFAOYSA-N 1 2 351.370 2.335 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826498363 608069248 /nfs/dbraw/zinc/06/92/48/608069248.db2.gz RKVRFCMUFKZOKS-QGZVFWFLSA-N 1 2 366.381 2.348 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826498363 608069249 /nfs/dbraw/zinc/06/92/49/608069249.db2.gz RKVRFCMUFKZOKS-QGZVFWFLSA-N 1 2 366.381 2.348 20 5 FEBDLO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000560527713 674597932 /nfs/dbraw/zinc/59/79/32/674597932.db2.gz NXFWBLZQDKDRHB-KCPJHIHWSA-N 1 2 350.444 2.120 20 5 FEBDLO COCCSCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000814007332 674807130 /nfs/dbraw/zinc/80/71/30/674807130.db2.gz PYFDDDFGXIRQPZ-UHFFFAOYSA-N 1 2 351.384 2.317 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609134698 675911472 /nfs/dbraw/zinc/91/14/72/675911472.db2.gz IBSMEZBWWHWPDY-CQSZACIVSA-N 1 2 350.400 2.126 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000609134684 675911269 /nfs/dbraw/zinc/91/12/69/675911269.db2.gz GXIYMOHLWHGICF-ZDUSSCGKSA-N 1 2 350.400 2.126 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610500584 675976351 /nfs/dbraw/zinc/97/63/51/675976351.db2.gz WAGBVLYHCIVBJH-CQSZACIVSA-N 1 2 364.427 2.434 20 5 FEBDLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000590661460 672599387 /nfs/dbraw/zinc/59/93/87/672599387.db2.gz RRWZQDAHKJKLFZ-PRHODGIISA-N 1 2 362.167 2.155 20 5 FEBDLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000590661460 672599388 /nfs/dbraw/zinc/59/93/88/672599388.db2.gz RRWZQDAHKJKLFZ-PRHODGIISA-N 1 2 362.167 2.155 20 5 FEBDLO Cc1noc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c1[N+](=O)[O-] ZINC000595295247 673218009 /nfs/dbraw/zinc/21/80/09/673218009.db2.gz VJIUNCKUKPXEOA-UHFFFAOYSA-N 1 2 350.400 2.347 20 5 FEBDLO COC(=O)c1c(Cl)c(NCC[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC000596124350 673361412 /nfs/dbraw/zinc/36/14/12/673361412.db2.gz WCLZFZVWZFPUNW-UHFFFAOYSA-N 1 2 359.835 2.496 20 5 FEBDLO C[C@@H](NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[C@@H](C)[NH+]1CCOCC1 ZINC000597094998 673446947 /nfs/dbraw/zinc/44/69/47/673446947.db2.gz NFRYWBISWNIJEV-NXEZZACHSA-N 1 2 371.825 2.061 20 5 FEBDLO CSc1ccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000598000969 673528992 /nfs/dbraw/zinc/52/89/92/673528992.db2.gz WLCXETOTNLPQJB-RYUDHWBXSA-N 1 2 353.444 2.156 20 5 FEBDLO CSc1ccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000598000969 673528993 /nfs/dbraw/zinc/52/89/93/673528993.db2.gz WLCXETOTNLPQJB-RYUDHWBXSA-N 1 2 353.444 2.156 20 5 FEBDLO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000599193794 673639863 /nfs/dbraw/zinc/63/98/63/673639863.db2.gz ZQLKOXRBMBYMDZ-UHFFFAOYSA-N 1 2 354.204 2.278 20 5 FEBDLO CCc1nc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cs1 ZINC000544069590 673686914 /nfs/dbraw/zinc/68/69/14/673686914.db2.gz GRQFHLHXOCRLOV-ZDUSSCGKSA-N 1 2 351.428 2.485 20 5 FEBDLO CCc1nc(C[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cs1 ZINC000544069590 673686916 /nfs/dbraw/zinc/68/69/16/673686916.db2.gz GRQFHLHXOCRLOV-ZDUSSCGKSA-N 1 2 351.428 2.485 20 5 FEBDLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)n1 ZINC000544475694 673713662 /nfs/dbraw/zinc/71/36/62/673713662.db2.gz ZLDIRCSUFWARHE-SECBINFHSA-N 1 2 364.383 2.378 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000544655527 673723591 /nfs/dbraw/zinc/72/35/91/673723591.db2.gz UBQOVMJGTVGTBT-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000603273089 673920694 /nfs/dbraw/zinc/92/06/94/673920694.db2.gz VTBURGOAJYPGON-UHFFFAOYSA-N 1 2 361.423 2.061 20 5 FEBDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000603273089 673920699 /nfs/dbraw/zinc/92/06/99/673920699.db2.gz VTBURGOAJYPGON-UHFFFAOYSA-N 1 2 361.423 2.061 20 5 FEBDLO CSc1ccc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000603448740 675799599 /nfs/dbraw/zinc/79/95/99/675799599.db2.gz UJZJQXPXWHVVQJ-CQSZACIVSA-N 1 2 365.455 2.254 20 5 FEBDLO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C[N@@H+]1CCO ZINC000842045710 680923325 /nfs/dbraw/zinc/92/33/25/680923325.db2.gz HAPVKNNNARRVGZ-MNOVXSKESA-N 1 2 358.236 2.249 20 5 FEBDLO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C[N@H+]1CCO ZINC000842045710 680923326 /nfs/dbraw/zinc/92/33/26/680923326.db2.gz HAPVKNNNARRVGZ-MNOVXSKESA-N 1 2 358.236 2.249 20 5 FEBDLO O=[N+]([O-])c1nn(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1Br ZINC000840118887 680800016 /nfs/dbraw/zinc/80/00/16/680800016.db2.gz FMOBOFLMOOKHMA-JLLWLGSASA-N 1 2 359.224 2.137 20 5 FEBDLO O=[N+]([O-])c1nn(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1Br ZINC000840118887 680800018 /nfs/dbraw/zinc/80/00/18/680800018.db2.gz FMOBOFLMOOKHMA-JLLWLGSASA-N 1 2 359.224 2.137 20 5 FEBDLO CO[C@@H]1C[C@H]([N@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)C12CCC2 ZINC000840139625 680801723 /nfs/dbraw/zinc/80/17/23/680801723.db2.gz KCRIONFEXHYYSK-WDEREUQCSA-N 1 2 359.224 2.401 20 5 FEBDLO CO[C@@H]1C[C@H]([N@@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)C12CCC2 ZINC000840139625 680801724 /nfs/dbraw/zinc/80/17/24/680801724.db2.gz KCRIONFEXHYYSK-WDEREUQCSA-N 1 2 359.224 2.401 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000840950119 680856168 /nfs/dbraw/zinc/85/61/68/680856168.db2.gz FGZTZONMDALPCK-SNVBAGLBSA-N 1 2 372.834 2.368 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCO[C@H]1C(F)(F)F ZINC000912081519 685311176 /nfs/dbraw/zinc/31/11/76/685311176.db2.gz HPHPOVGHFVMYRI-ZDUSSCGKSA-N 1 2 356.260 2.141 20 5 FEBDLO O=C(NCC1=CC[N@H+](Cc2ccc(F)c(Cl)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000670621 680436712 /nfs/dbraw/zinc/43/67/12/680436712.db2.gz QTEXUWCJGBCFRS-CZUORRHYSA-N 1 2 367.808 2.393 20 5 FEBDLO O=C(NCC1=CC[N@@H+](Cc2ccc(F)c(Cl)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000670621 680436716 /nfs/dbraw/zinc/43/67/16/680436716.db2.gz QTEXUWCJGBCFRS-CZUORRHYSA-N 1 2 367.808 2.393 20 5 FEBDLO O=C(NCC1=CC[N@H+](Cc2sccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000669837 680436914 /nfs/dbraw/zinc/43/69/14/680436914.db2.gz MKOSBTHNSJXRRU-DGCLKSJQSA-N 1 2 355.847 2.315 20 5 FEBDLO O=C(NCC1=CC[N@@H+](Cc2sccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000669837 680436916 /nfs/dbraw/zinc/43/69/16/680436916.db2.gz MKOSBTHNSJXRRU-DGCLKSJQSA-N 1 2 355.847 2.315 20 5 FEBDLO O=C(NCC1CC[NH+](Cc2csc(C3CC3)n2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001393562 680460123 /nfs/dbraw/zinc/46/01/23/680460123.db2.gz DLKFLMZVBUPECU-HUUCEWRRSA-N 1 2 364.471 2.014 20 5 FEBDLO COC(=O)[C@@]1(C)CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000759783864 680666998 /nfs/dbraw/zinc/66/69/98/680666998.db2.gz LHSXIXRJEOJANK-HNNXBMFYSA-N 1 2 355.778 2.072 20 5 FEBDLO COC(=O)[C@@]1(C)CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000759783864 680666999 /nfs/dbraw/zinc/66/69/99/680666999.db2.gz LHSXIXRJEOJANK-HNNXBMFYSA-N 1 2 355.778 2.072 20 5 FEBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841595294 680902635 /nfs/dbraw/zinc/90/26/35/680902635.db2.gz JKKXZURCQIIICS-UHFFFAOYSA-N 1 2 356.810 2.481 20 5 FEBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847181756 681341355 /nfs/dbraw/zinc/34/13/55/681341355.db2.gz LCXHJNOISCEWIY-UTUOFQBUSA-N 1 2 355.822 2.476 20 5 FEBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847181756 681341356 /nfs/dbraw/zinc/34/13/56/681341356.db2.gz LCXHJNOISCEWIY-UTUOFQBUSA-N 1 2 355.822 2.476 20 5 FEBDLO C[C@@H](CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847182169 681341374 /nfs/dbraw/zinc/34/13/74/681341374.db2.gz NUVBPBWENLUSGD-GARJFASQSA-N 1 2 357.357 2.101 20 5 FEBDLO C[C@@H](CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847182169 681341376 /nfs/dbraw/zinc/34/13/76/681341376.db2.gz NUVBPBWENLUSGD-GARJFASQSA-N 1 2 357.357 2.101 20 5 FEBDLO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCN(CC(F)(F)C(F)F)CC2)cc1 ZINC000776582748 681410766 /nfs/dbraw/zinc/41/07/66/681410766.db2.gz BMYAZVLUYHFFOY-ZDUSSCGKSA-N 1 2 365.327 2.146 20 5 FEBDLO C[C@H](COC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000847962548 681456666 /nfs/dbraw/zinc/45/66/66/681456666.db2.gz HPNYELVPXLSLAR-GFCCVEGCSA-N 1 2 370.427 2.030 20 5 FEBDLO C[C@@H](COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000847963403 681456708 /nfs/dbraw/zinc/45/67/08/681456708.db2.gz QTAZUEPEUDXHKZ-LBPRGKRZSA-N 1 2 370.427 2.030 20 5 FEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@H]1C ZINC000778034165 681561277 /nfs/dbraw/zinc/56/12/77/681561277.db2.gz ZYHDVVJMZLGELS-VXGBXAGGSA-N 1 2 359.423 2.146 20 5 FEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@H]1C ZINC000778034165 681561281 /nfs/dbraw/zinc/56/12/81/681561281.db2.gz ZYHDVVJMZLGELS-VXGBXAGGSA-N 1 2 359.423 2.146 20 5 FEBDLO O=C(NCCCNc1cccc[nH+]1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778285366 681592918 /nfs/dbraw/zinc/59/29/18/681592918.db2.gz GYXNSBNWBDJXHN-UHFFFAOYSA-N 1 2 358.383 2.227 20 5 FEBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCc2ccc(Cl)cc2)C1 ZINC000950056164 681670655 /nfs/dbraw/zinc/67/06/55/681670655.db2.gz VKXBHQJMRKMSCS-HZPDHXFCSA-N 1 2 351.834 2.080 20 5 FEBDLO Cc1nn(C[N@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000779868389 681762422 /nfs/dbraw/zinc/76/24/22/681762422.db2.gz OTWJDIDKJCYQLO-WCQYABFASA-N 1 2 353.423 2.292 20 5 FEBDLO Cc1nn(C[N@@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000779868389 681762427 /nfs/dbraw/zinc/76/24/27/681762427.db2.gz OTWJDIDKJCYQLO-WCQYABFASA-N 1 2 353.423 2.292 20 5 FEBDLO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCC1([NH+]2CCOCC2)CC1 ZINC000935661277 681796399 /nfs/dbraw/zinc/79/63/99/681796399.db2.gz AOPVIDDSRUQAKT-UHFFFAOYSA-N 1 2 367.833 2.162 20 5 FEBDLO O=[N+]([O-])c1cccc(Br)c1N1CC[NH+](CCCCO)CC1 ZINC000853373422 682409365 /nfs/dbraw/zinc/40/93/65/682409365.db2.gz WJOKIIXEGYIFMN-UHFFFAOYSA-N 1 2 358.236 2.252 20 5 FEBDLO Cc1cc(Cl)c(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000855405892 682666169 /nfs/dbraw/zinc/66/61/69/682666169.db2.gz AKKKIEDUCTUCGO-RYUDHWBXSA-N 1 2 355.822 2.396 20 5 FEBDLO Cc1cc(Cl)c(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000855405892 682666174 /nfs/dbraw/zinc/66/61/74/682666174.db2.gz AKKKIEDUCTUCGO-RYUDHWBXSA-N 1 2 355.822 2.396 20 5 FEBDLO O=C(NCC1SCCS1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000856166653 682749705 /nfs/dbraw/zinc/74/97/05/682749705.db2.gz IOSJZNJOXZHGDF-UHFFFAOYSA-N 1 2 350.425 2.316 20 5 FEBDLO COC(=O)[C@]1(OC)CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000859556019 683128061 /nfs/dbraw/zinc/12/80/61/683128061.db2.gz BTKVAKMORWDTSW-AWEZNQCLSA-N 1 2 373.203 2.121 20 5 FEBDLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000859556019 683128063 /nfs/dbraw/zinc/12/80/63/683128063.db2.gz BTKVAKMORWDTSW-AWEZNQCLSA-N 1 2 373.203 2.121 20 5 FEBDLO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000859661988 683140782 /nfs/dbraw/zinc/14/07/82/683140782.db2.gz MJRPOYPHORTRAI-GFCCVEGCSA-N 1 2 353.806 2.185 20 5 FEBDLO C[C@@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000925245175 684543730 /nfs/dbraw/zinc/54/37/30/684543730.db2.gz XORMSTQDKXYLHQ-CYBMUJFWSA-N 1 2 350.419 2.066 20 5 FEBDLO C[C@@H](NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000872902121 685031191 /nfs/dbraw/zinc/03/11/91/685031191.db2.gz LHNZTVNMNLXDMH-MCIONIFRSA-N 1 2 350.419 2.064 20 5 FEBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000878899538 686686479 /nfs/dbraw/zinc/68/64/79/686686479.db2.gz KNMHUMXUOGZFFC-CQSZACIVSA-N 1 2 350.419 2.444 20 5 FEBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000878899538 686686486 /nfs/dbraw/zinc/68/64/86/686686486.db2.gz KNMHUMXUOGZFFC-CQSZACIVSA-N 1 2 350.419 2.444 20 5 FEBDLO Cn1cnc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)c1 ZINC000898043742 690119132 /nfs/dbraw/zinc/11/91/32/690119132.db2.gz ZJNPBRATIFIMIL-UHFFFAOYSA-N 1 2 372.166 2.223 20 5 FEBDLO COCC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccco1 ZINC000026449435 539786426 /nfs/dbraw/zinc/78/64/26/539786426.db2.gz CRKASIGAJGWLIL-UHFFFAOYSA-N 1 2 359.382 2.226 20 5 FEBDLO COCC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccco1 ZINC000026449435 539786429 /nfs/dbraw/zinc/78/64/29/539786429.db2.gz CRKASIGAJGWLIL-UHFFFAOYSA-N 1 2 359.382 2.226 20 5 FEBDLO CNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000029162810 539845787 /nfs/dbraw/zinc/84/57/87/539845787.db2.gz GRSHCRKPTFWLNU-JTQLQIEISA-N 1 2 368.821 2.033 20 5 FEBDLO O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000030698678 539889824 /nfs/dbraw/zinc/88/98/24/539889824.db2.gz ZZNAIUIUABPKLM-GOSISDBHSA-N 1 2 355.394 2.398 20 5 FEBDLO CCOc1ccc(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000032298238 539934183 /nfs/dbraw/zinc/93/41/83/539934183.db2.gz KPOGMAGYGHWAIK-MRXNPFEDSA-N 1 2 365.430 2.080 20 5 FEBDLO CCOc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000046930766 540276944 /nfs/dbraw/zinc/27/69/44/540276944.db2.gz UXRLAAIWWQGQDX-UHFFFAOYSA-N 1 2 356.382 2.351 20 5 FEBDLO CNc1ccc(Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])c[nH+]1 ZINC000533793201 540287941 /nfs/dbraw/zinc/28/79/41/540287941.db2.gz GKSIAXZDPBWMQS-UHFFFAOYSA-N 1 2 351.388 2.025 20 5 FEBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000049766846 540393840 /nfs/dbraw/zinc/39/38/40/540393840.db2.gz AESLIKSTMSATAA-UHFFFAOYSA-N 1 2 369.425 2.455 20 5 FEBDLO CC(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000050992367 540417973 /nfs/dbraw/zinc/41/79/73/540417973.db2.gz UTQLNSPYKJSLTJ-JTQLQIEISA-N 1 2 368.821 2.176 20 5 FEBDLO Cc1noc([C@H]2CCC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000052861479 540495573 /nfs/dbraw/zinc/49/55/73/540495573.db2.gz RRHQQMJQJNJOBM-ZDUSSCGKSA-N 1 2 359.386 2.413 20 5 FEBDLO Cc1noc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000052861479 540495577 /nfs/dbraw/zinc/49/55/77/540495577.db2.gz RRHQQMJQJNJOBM-ZDUSSCGKSA-N 1 2 359.386 2.413 20 5 FEBDLO O=C(NCCCCn1cc[nH+]c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000057374011 540792302 /nfs/dbraw/zinc/79/23/02/540792302.db2.gz CUAZCJOHZMWQLS-UHFFFAOYSA-N 1 2 372.429 2.103 20 5 FEBDLO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000063522771 541172650 /nfs/dbraw/zinc/17/26/50/541172650.db2.gz WJFDEBDOBRFHMC-UHFFFAOYSA-N 1 2 370.409 2.347 20 5 FEBDLO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000063522771 541172653 /nfs/dbraw/zinc/17/26/53/541172653.db2.gz WJFDEBDOBRFHMC-UHFFFAOYSA-N 1 2 370.409 2.347 20 5 FEBDLO O=C(NCCNc1cccc[nH+]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000063707568 541179861 /nfs/dbraw/zinc/17/98/61/541179861.db2.gz YUSVUONTKVIFSB-UHFFFAOYSA-N 1 2 352.354 2.017 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)s1 ZINC000066001642 541277779 /nfs/dbraw/zinc/27/77/79/541277779.db2.gz FIVLFFKZSLOHHT-UHFFFAOYSA-N 1 2 364.408 2.321 20 5 FEBDLO Cc1ccn2cc(CNS(=O)(=O)c3ccc([N+](=O)[O-])s3)[nH+]c2c1 ZINC000066333844 541303191 /nfs/dbraw/zinc/30/31/91/541303191.db2.gz JNLDYRWWJMKQPB-UHFFFAOYSA-N 1 2 352.397 2.091 20 5 FEBDLO Cn1ncc2c1nc[nH+]c2S[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067429091 541463047 /nfs/dbraw/zinc/46/30/47/541463047.db2.gz PKFALHSKGCTHPG-ZDUSSCGKSA-N 1 2 370.394 2.169 20 5 FEBDLO Cc1nc2[nH]ccc2c(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000543483219 541598081 /nfs/dbraw/zinc/59/80/81/541598081.db2.gz HGZABLNCVNGPMO-UHFFFAOYSA-N 1 2 361.383 2.060 20 5 FEBDLO C[C@@H](CNc1ccc(Br)cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000068901937 541638704 /nfs/dbraw/zinc/63/87/04/541638704.db2.gz TWCSMNDYCSPLFJ-NSHDSACASA-N 1 2 357.252 2.405 20 5 FEBDLO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])nc2)[NH+]2CCOCC2)cc1 ZINC000072521984 541826233 /nfs/dbraw/zinc/82/62/33/541826233.db2.gz MEPCKUOAYZGCRE-KRWDZBQOSA-N 1 2 358.398 2.484 20 5 FEBDLO COC(=O)c1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc([N+](=O)[O-])c1 ZINC000075555634 542187001 /nfs/dbraw/zinc/18/70/01/542187001.db2.gz IYRFBKBEIZTZCB-LLVKDONJSA-N 1 2 358.354 2.124 20 5 FEBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000078674582 542475871 /nfs/dbraw/zinc/47/58/71/542475871.db2.gz PRIQFZJYQKSGGB-UHFFFAOYSA-N 1 2 357.418 2.105 20 5 FEBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000079466831 542520610 /nfs/dbraw/zinc/52/06/10/542520610.db2.gz XBPATQCXTOKHCE-UHFFFAOYSA-N 1 2 352.354 2.175 20 5 FEBDLO CCOc1cc(Nc2ccc(N3CCNC(=O)C3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000092606630 542874522 /nfs/dbraw/zinc/87/45/22/542874522.db2.gz NVFXIBVWXZNULC-UHFFFAOYSA-N 1 2 357.370 2.068 20 5 FEBDLO COc1ccc([C@H](CO)[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000112996434 543471539 /nfs/dbraw/zinc/47/15/39/543471539.db2.gz XEFLTTHWKYMFDG-KRWDZBQOSA-N 1 2 359.382 2.207 20 5 FEBDLO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000112996434 543471540 /nfs/dbraw/zinc/47/15/40/543471540.db2.gz XEFLTTHWKYMFDG-KRWDZBQOSA-N 1 2 359.382 2.207 20 5 FEBDLO O=C(CCN1CC[NH+](Cc2ccncc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000124504603 543826520 /nfs/dbraw/zinc/82/65/20/543826520.db2.gz BCJFAGZVBQAKJW-UHFFFAOYSA-N 1 2 369.425 2.136 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000126072219 543916458 /nfs/dbraw/zinc/91/64/58/543916458.db2.gz ZFHIJQXDGPXJOX-GFCCVEGCSA-N 1 2 366.399 2.242 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000126076441 543916595 /nfs/dbraw/zinc/91/65/95/543916595.db2.gz DVKVPBWYISDGLQ-GFCCVEGCSA-N 1 2 366.399 2.242 20 5 FEBDLO CCNC(=O)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000126798466 543956998 /nfs/dbraw/zinc/95/69/98/543956998.db2.gz SCBUKPTWPLXAKC-JTQLQIEISA-N 1 2 356.810 2.033 20 5 FEBDLO CCNC(=O)C[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000126798466 543957000 /nfs/dbraw/zinc/95/70/00/543957000.db2.gz SCBUKPTWPLXAKC-JTQLQIEISA-N 1 2 356.810 2.033 20 5 FEBDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129645563 544121789 /nfs/dbraw/zinc/12/17/89/544121789.db2.gz JDMKNRJLTODYIU-AWEZNQCLSA-N 1 2 362.365 2.028 20 5 FEBDLO Cn1cnnc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129645563 544121790 /nfs/dbraw/zinc/12/17/90/544121790.db2.gz JDMKNRJLTODYIU-AWEZNQCLSA-N 1 2 362.365 2.028 20 5 FEBDLO O=C(CC[N@@H+]1CCCC[C@H]1c1nnc[nH]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129649166 544121902 /nfs/dbraw/zinc/12/19/02/544121902.db2.gz FQNDDMUIKKYTGX-AWEZNQCLSA-N 1 2 362.365 2.408 20 5 FEBDLO O=C(CC[N@H+]1CCCC[C@H]1c1nnc[nH]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129649166 544121903 /nfs/dbraw/zinc/12/19/03/544121903.db2.gz FQNDDMUIKKYTGX-AWEZNQCLSA-N 1 2 362.365 2.408 20 5 FEBDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000134538282 544312153 /nfs/dbraw/zinc/31/21/53/544312153.db2.gz ULXWGZLAWUGCJI-UHFFFAOYSA-N 1 2 358.807 2.156 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000152478899 544658909 /nfs/dbraw/zinc/65/89/09/544658909.db2.gz ZYEWMXFENSTOLZ-CYBMUJFWSA-N 1 2 370.413 2.339 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000152478899 544658914 /nfs/dbraw/zinc/65/89/14/544658914.db2.gz ZYEWMXFENSTOLZ-CYBMUJFWSA-N 1 2 370.413 2.339 20 5 FEBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000153281281 544756227 /nfs/dbraw/zinc/75/62/27/544756227.db2.gz RKKTXGHPWAFHIB-ROUUACIJSA-N 1 2 359.426 2.123 20 5 FEBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000153281281 544756230 /nfs/dbraw/zinc/75/62/30/544756230.db2.gz RKKTXGHPWAFHIB-ROUUACIJSA-N 1 2 359.426 2.123 20 5 FEBDLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000153126527 544736184 /nfs/dbraw/zinc/73/61/84/544736184.db2.gz KHONZVXWFGCMKH-CQSZACIVSA-N 1 2 370.409 2.424 20 5 FEBDLO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1cc([N+](=O)[O-])ccc1O ZINC000154022179 544854040 /nfs/dbraw/zinc/85/40/40/544854040.db2.gz OPFMGPFWXNIIJK-UHFFFAOYSA-N 1 2 370.409 2.057 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000182069097 327759472 /nfs/dbraw/zinc/75/94/72/327759472.db2.gz SRNCSDWTZUCACX-UHFFFAOYSA-N 1 2 363.414 2.017 20 5 FEBDLO Cc1nc(N2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)CC2)cc[nH+]1 ZINC000184952905 327891695 /nfs/dbraw/zinc/89/16/95/327891695.db2.gz PZFFKAGWXAYIMH-UHFFFAOYSA-N 1 2 366.381 2.137 20 5 FEBDLO COc1cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc([N+](=O)[O-])c1C ZINC000189733093 328165238 /nfs/dbraw/zinc/16/52/38/328165238.db2.gz UAXPPVZEVUZCKD-CQSZACIVSA-N 1 2 356.382 2.316 20 5 FEBDLO COc1cc(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc([N+](=O)[O-])c1C ZINC000190437244 328207833 /nfs/dbraw/zinc/20/78/33/328207833.db2.gz SLBLISXENLCZML-UHFFFAOYSA-N 1 2 367.365 2.423 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCc2[nH+]ccn2CCc2ccccc2)n1 ZINC000191839413 328284276 /nfs/dbraw/zinc/28/42/76/328284276.db2.gz UHDDHKAHGLYRBD-UHFFFAOYSA-N 1 2 368.397 2.180 20 5 FEBDLO COC(=O)[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C ZINC000191866988 328285782 /nfs/dbraw/zinc/28/57/82/328285782.db2.gz DOCIQQWEPILPGR-RISCZKNCSA-N 1 2 360.370 2.276 20 5 FEBDLO COC(=O)[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C ZINC000191866988 328285783 /nfs/dbraw/zinc/28/57/83/328285783.db2.gz DOCIQQWEPILPGR-RISCZKNCSA-N 1 2 360.370 2.276 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000193578028 328383076 /nfs/dbraw/zinc/38/30/76/328383076.db2.gz MJALOWUCCDLUEL-GFCCVEGCSA-N 1 2 359.386 2.145 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000193578028 328383077 /nfs/dbraw/zinc/38/30/77/328383077.db2.gz MJALOWUCCDLUEL-GFCCVEGCSA-N 1 2 359.386 2.145 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193578110 328383222 /nfs/dbraw/zinc/38/32/22/328383222.db2.gz ICAJXHYKZWHORJ-LBPRGKRZSA-N 1 2 359.386 2.145 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193578110 328383223 /nfs/dbraw/zinc/38/32/23/328383223.db2.gz ICAJXHYKZWHORJ-LBPRGKRZSA-N 1 2 359.386 2.145 20 5 FEBDLO O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000078075650 325030037 /nfs/dbraw/zinc/03/00/37/325030037.db2.gz MXTXUHPUZVRNOZ-IBGZPJMESA-N 1 2 367.405 2.385 20 5 FEBDLO O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000078075650 325030039 /nfs/dbraw/zinc/03/00/39/325030039.db2.gz MXTXUHPUZVRNOZ-IBGZPJMESA-N 1 2 367.405 2.385 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CCCC[C@H]2C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000078618345 325054059 /nfs/dbraw/zinc/05/40/59/325054059.db2.gz PZCXVZYPBQZUAT-AWEZNQCLSA-N 1 2 350.375 2.194 20 5 FEBDLO COc1ccccc1CCNC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607421 325298667 /nfs/dbraw/zinc/29/86/67/325298667.db2.gz MLRSURILHHWSQC-UHFFFAOYSA-N 1 2 369.421 2.320 20 5 FEBDLO COc1ccccc1CCNC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607421 325298668 /nfs/dbraw/zinc/29/86/68/325298668.db2.gz MLRSURILHHWSQC-UHFFFAOYSA-N 1 2 369.421 2.320 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091083697 325373715 /nfs/dbraw/zinc/37/37/15/325373715.db2.gz ZQVZQHPTYOBSJK-GFCCVEGCSA-N 1 2 356.373 2.195 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(CC(F)F)CC1 ZINC000091083697 325373716 /nfs/dbraw/zinc/37/37/16/325373716.db2.gz ZQVZQHPTYOBSJK-GFCCVEGCSA-N 1 2 356.373 2.195 20 5 FEBDLO CCOCC[NH+]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000110923132 325696617 /nfs/dbraw/zinc/69/66/17/325696617.db2.gz CQBHDGBRYXWFCI-UHFFFAOYSA-N 1 2 353.444 2.111 20 5 FEBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCOCC1 ZINC000119119927 326128724 /nfs/dbraw/zinc/12/87/24/326128724.db2.gz XSLMNFNTZWUCMT-UHFFFAOYSA-N 1 2 367.471 2.405 20 5 FEBDLO NC(=O)c1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000119320674 326149507 /nfs/dbraw/zinc/14/95/07/326149507.db2.gz KWCUVMOXRXAVSU-UHFFFAOYSA-N 1 2 372.400 2.151 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000119856110 326205693 /nfs/dbraw/zinc/20/56/93/326205693.db2.gz UTQQTGCJDLVEGB-ZDUSSCGKSA-N 1 2 358.398 2.432 20 5 FEBDLO O=C(C[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1)N1CCCCC1 ZINC000121844389 326371229 /nfs/dbraw/zinc/37/12/29/326371229.db2.gz MMTNOQIXNKRRQC-SOFGYWHQSA-N 1 2 372.469 2.238 20 5 FEBDLO CCCc1[nH]nc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000153246974 326727990 /nfs/dbraw/zinc/72/79/90/326727990.db2.gz PBBFHNKCUAOZDW-UHFFFAOYSA-N 1 2 373.413 2.355 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161163675 326990217 /nfs/dbraw/zinc/99/02/17/326990217.db2.gz IEDJVNBVAIMNGL-UHFFFAOYSA-N 1 2 369.425 2.055 20 5 FEBDLO Cc1cc[nH+]c(N2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)c1 ZINC000166284672 327081236 /nfs/dbraw/zinc/08/12/36/327081236.db2.gz FCLAVKOKBLCKOK-UHFFFAOYSA-N 1 2 370.409 2.487 20 5 FEBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170865571 327103610 /nfs/dbraw/zinc/10/36/10/327103610.db2.gz VREPOQASCQBJKQ-CYBMUJFWSA-N 1 2 367.471 2.302 20 5 FEBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170865571 327103611 /nfs/dbraw/zinc/10/36/11/327103611.db2.gz VREPOQASCQBJKQ-CYBMUJFWSA-N 1 2 367.471 2.302 20 5 FEBDLO CS(=O)(=O)c1ccc(N2CC[NH+]([C@H]3C=CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000171730375 327157901 /nfs/dbraw/zinc/15/79/01/327157901.db2.gz QJJCHMRUBQMGQW-AWEZNQCLSA-N 1 2 365.455 2.229 20 5 FEBDLO COC(=O)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)CC(C)C ZINC000172642946 327213154 /nfs/dbraw/zinc/21/31/54/327213154.db2.gz OVCOCSILMVWFPN-CQSZACIVSA-N 1 2 374.397 2.346 20 5 FEBDLO CCc1ccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000173449899 327258138 /nfs/dbraw/zinc/25/81/38/327258138.db2.gz PRJOIBLWWQQKCT-QGZVFWFLSA-N 1 2 361.442 2.484 20 5 FEBDLO CCOC(=O)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](C)CC ZINC000173869486 327290197 /nfs/dbraw/zinc/29/01/97/327290197.db2.gz RRTONTSVTVQAOR-BLLLJJGKSA-N 1 2 374.397 2.488 20 5 FEBDLO CNC(=O)CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000175023994 327368815 /nfs/dbraw/zinc/36/88/15/327368815.db2.gz YKDJABASXJVHKB-UHFFFAOYSA-N 1 2 368.821 2.035 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000175053881 327371169 /nfs/dbraw/zinc/37/11/69/327371169.db2.gz YFACWGWQWBOAAA-UHFFFAOYSA-N 1 2 355.394 2.187 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000175289606 327384841 /nfs/dbraw/zinc/38/48/41/327384841.db2.gz HBLUVPVDEZUJIW-UHFFFAOYSA-N 1 2 361.402 2.455 20 5 FEBDLO C[C@]1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCC[C@H]1O ZINC000178246176 327574128 /nfs/dbraw/zinc/57/41/28/327574128.db2.gz FTTMFKDPDIMMIY-SJLPKXTDSA-N 1 2 358.398 2.452 20 5 FEBDLO COc1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])cc1OC ZINC000263940656 328977209 /nfs/dbraw/zinc/97/72/09/328977209.db2.gz ITRBBTUIIRIJLM-NSHDSACASA-N 1 2 360.370 2.355 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000264341938 329012300 /nfs/dbraw/zinc/01/23/00/329012300.db2.gz YLPFOIVHFBLARX-NEPJUHHUSA-N 1 2 353.444 2.156 20 5 FEBDLO Cn1cc[nH+]c1CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000264362612 329014551 /nfs/dbraw/zinc/01/45/51/329014551.db2.gz YVCWAFIOXARPHC-UHFFFAOYSA-N 1 2 371.319 2.466 20 5 FEBDLO Cc1cc(N2CCC[C@H](OCCO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000265175280 329098877 /nfs/dbraw/zinc/09/88/77/329098877.db2.gz CIDJCZXUJAUCSF-INIZCTEOSA-N 1 2 358.398 2.338 20 5 FEBDLO COCC[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000266281494 329207495 /nfs/dbraw/zinc/20/74/95/329207495.db2.gz FQTCFBSRIOSLHG-UHFFFAOYSA-N 1 2 361.320 2.018 20 5 FEBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000267244340 329306241 /nfs/dbraw/zinc/30/62/41/329306241.db2.gz JQSMVMDAPASJGP-UHFFFAOYSA-N 1 2 357.292 2.208 20 5 FEBDLO CS(=O)(=O)c1ccc(N2CCCC[C@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000267303592 329312615 /nfs/dbraw/zinc/31/26/15/329312615.db2.gz VFKULQNNLWHKEX-ZDUSSCGKSA-N 1 2 350.400 2.453 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000268257758 329402145 /nfs/dbraw/zinc/40/21/45/329402145.db2.gz PYTCMIXGORPDKT-UHFFFAOYSA-N 1 2 354.363 2.025 20 5 FEBDLO CC1(C)CN=C(N2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)S1 ZINC000269643127 329536794 /nfs/dbraw/zinc/53/67/94/329536794.db2.gz JVIYSNRBGUCRQY-HNNXBMFYSA-N 1 2 364.471 2.127 20 5 FEBDLO CC[C@@H](C)NC(=O)CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272502784 329786406 /nfs/dbraw/zinc/78/64/06/329786406.db2.gz HLAZOWQTVNJAPY-DYVFJYSZSA-N 1 2 359.430 2.312 20 5 FEBDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000276486465 330157091 /nfs/dbraw/zinc/15/70/91/330157091.db2.gz UGQNGBNMQRCOLM-RLCCDNCMSA-N 1 2 362.382 2.235 20 5 FEBDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000276486465 330157093 /nfs/dbraw/zinc/15/70/93/330157093.db2.gz UGQNGBNMQRCOLM-RLCCDNCMSA-N 1 2 362.382 2.235 20 5 FEBDLO O=[N+]([O-])c1cc(Cc2ccccc2)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000155470808 545530033 /nfs/dbraw/zinc/53/00/33/545530033.db2.gz RTFJKLOJASNJNL-GOSISDBHSA-N 1 2 372.421 2.258 20 5 FEBDLO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H]1CCn2cc[nH+]c2C1 ZINC000156308664 545616410 /nfs/dbraw/zinc/61/64/10/545616410.db2.gz MMVFGGMOWKWPTA-LBPRGKRZSA-N 1 2 352.354 2.383 20 5 FEBDLO C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1c(F)cccc1[N+](=O)[O-] ZINC000159027896 545915594 /nfs/dbraw/zinc/91/55/94/545915594.db2.gz DQBZPDCLNRQXPH-UHFFFAOYSA-N 1 2 357.341 2.462 20 5 FEBDLO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1c(F)cccc1[N+](=O)[O-] ZINC000159027896 545915598 /nfs/dbraw/zinc/91/55/98/545915598.db2.gz DQBZPDCLNRQXPH-UHFFFAOYSA-N 1 2 357.341 2.462 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000176073179 546401864 /nfs/dbraw/zinc/40/18/64/546401864.db2.gz UFBVAFQVCORYHL-AWEZNQCLSA-N 1 2 364.446 2.374 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000176073179 546401868 /nfs/dbraw/zinc/40/18/68/546401868.db2.gz UFBVAFQVCORYHL-AWEZNQCLSA-N 1 2 364.446 2.374 20 5 FEBDLO CC[C@@H](C)C[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000176897220 546503358 /nfs/dbraw/zinc/50/33/58/546503358.db2.gz YWXZZEGPTZPSRS-CYBMUJFWSA-N 1 2 355.460 2.166 20 5 FEBDLO CCN1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000480691153 561214507 /nfs/dbraw/zinc/21/45/07/561214507.db2.gz BAGYLXLWNLIKLX-CQSZACIVSA-N 1 2 369.385 2.251 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177927266 546708711 /nfs/dbraw/zinc/70/87/11/546708711.db2.gz BOMBIBJSHYQTNS-UHFFFAOYSA-N 1 2 355.354 2.251 20 5 FEBDLO COc1cc(C(=O)NCc2ccn3cc[nH+]c3c2)c([N+](=O)[O-])cc1OC ZINC000178061163 546732141 /nfs/dbraw/zinc/73/21/41/546732141.db2.gz SITIYLYBHFESJN-UHFFFAOYSA-N 1 2 356.338 2.190 20 5 FEBDLO CN(C)c1ccc2cc(NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000178621791 546822514 /nfs/dbraw/zinc/82/25/14/546822514.db2.gz OKSKNLUXGXNHBV-UHFFFAOYSA-N 1 2 367.365 2.009 20 5 FEBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc([S@@](C)=O)cc1 ZINC000178799988 546851371 /nfs/dbraw/zinc/85/13/71/546851371.db2.gz YMNNPOWMPFGONO-RUZDIDTESA-N 1 2 361.423 2.403 20 5 FEBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc([S@@](C)=O)cc1 ZINC000178799988 546851376 /nfs/dbraw/zinc/85/13/76/546851376.db2.gz YMNNPOWMPFGONO-RUZDIDTESA-N 1 2 361.423 2.403 20 5 FEBDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000181714839 547366221 /nfs/dbraw/zinc/36/62/21/547366221.db2.gz KCAYYNWPVDMMFO-UHFFFAOYSA-N 1 2 352.416 2.067 20 5 FEBDLO COc1cccc([C@@H]2[C@H](NC(=O)c3n[nH]cc3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000183264200 547628614 /nfs/dbraw/zinc/62/86/14/547628614.db2.gz DHQGMBUVHIVOKX-RHSMWYFYSA-N 1 2 371.397 2.034 20 5 FEBDLO COc1cccc([C@@H]2[C@H](NC(=O)c3n[nH]cc3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000183264200 547628619 /nfs/dbraw/zinc/62/86/19/547628619.db2.gz DHQGMBUVHIVOKX-RHSMWYFYSA-N 1 2 371.397 2.034 20 5 FEBDLO COc1cccc([C@H]2[C@@H](NC(=O)c3n[nH]cc3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000183264255 547629451 /nfs/dbraw/zinc/62/94/51/547629451.db2.gz DHQGMBUVHIVOKX-YOEHRIQHSA-N 1 2 371.397 2.034 20 5 FEBDLO COc1cccc([C@H]2[C@@H](NC(=O)c3n[nH]cc3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000183264255 547629454 /nfs/dbraw/zinc/62/94/54/547629454.db2.gz DHQGMBUVHIVOKX-YOEHRIQHSA-N 1 2 371.397 2.034 20 5 FEBDLO COc1cc(CN2CCN(c3cc[nH+]c(C)n3)CC2)c([N+](=O)[O-])cc1OC ZINC000184766260 547877133 /nfs/dbraw/zinc/87/71/33/547877133.db2.gz LGULAACPCBIEJG-UHFFFAOYSA-N 1 2 373.413 2.033 20 5 FEBDLO Cn1c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000485718577 561326577 /nfs/dbraw/zinc/32/65/77/561326577.db2.gz DHBJTWCRRWRRBR-CZUORRHYSA-N 1 2 364.352 2.387 20 5 FEBDLO Cn1c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000485718577 561326578 /nfs/dbraw/zinc/32/65/78/561326578.db2.gz DHBJTWCRRWRRBR-CZUORRHYSA-N 1 2 364.352 2.387 20 5 FEBDLO C[C@@H](Sc1ncccc1[N+](=O)[O-])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000194659735 548512886 /nfs/dbraw/zinc/51/28/86/548512886.db2.gz VMFLYIUTYMYCEH-CYBMUJFWSA-N 1 2 373.438 2.214 20 5 FEBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000195237165 548600122 /nfs/dbraw/zinc/60/01/22/548600122.db2.gz KWRSKSUXHPLEOM-UHFFFAOYSA-N 1 2 365.349 2.353 20 5 FEBDLO CCOC(=O)C[N@@H+]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488053759 561382427 /nfs/dbraw/zinc/38/24/27/561382427.db2.gz UIQCDGGQAWJDCW-UHFFFAOYSA-N 1 2 358.398 2.218 20 5 FEBDLO CCOC(=O)C[N@H+]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488053759 561382428 /nfs/dbraw/zinc/38/24/28/561382428.db2.gz UIQCDGGQAWJDCW-UHFFFAOYSA-N 1 2 358.398 2.218 20 5 FEBDLO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000247024337 549267871 /nfs/dbraw/zinc/26/78/71/549267871.db2.gz NBEVTUIZCGNJPZ-XJKSGUPXSA-N 1 2 370.409 2.336 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000247024337 549267874 /nfs/dbraw/zinc/26/78/74/549267874.db2.gz NBEVTUIZCGNJPZ-XJKSGUPXSA-N 1 2 370.409 2.336 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000249099872 549551209 /nfs/dbraw/zinc/55/12/09/549551209.db2.gz PFURTZUKCYROPL-BXUZGUMPSA-N 1 2 360.370 2.276 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000249099872 549551211 /nfs/dbraw/zinc/55/12/11/549551211.db2.gz PFURTZUKCYROPL-BXUZGUMPSA-N 1 2 360.370 2.276 20 5 FEBDLO O=C(C[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1)N1CCCCC1 ZINC000255326485 549705522 /nfs/dbraw/zinc/70/55/22/549705522.db2.gz MMTNOQIXNKRRQC-VURMDHGXSA-N 1 2 372.469 2.238 20 5 FEBDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269142204 550160261 /nfs/dbraw/zinc/16/02/61/550160261.db2.gz NSTVGAPHWFCRQZ-UHFFFAOYSA-N 1 2 371.393 2.063 20 5 FEBDLO CCOc1cc(C[NH+]2CCN(c3cc(OC)ncn3)CC2)ccc1[N+](=O)[O-] ZINC000492845293 561453068 /nfs/dbraw/zinc/45/30/68/561453068.db2.gz FNIHBHGNVGASTR-UHFFFAOYSA-N 1 2 373.413 2.114 20 5 FEBDLO C[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271224718 550355167 /nfs/dbraw/zinc/35/51/67/550355167.db2.gz DRNYMNHRUHZXGE-LLVKDONJSA-N 1 2 358.354 2.350 20 5 FEBDLO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271224718 550355169 /nfs/dbraw/zinc/35/51/69/550355169.db2.gz DRNYMNHRUHZXGE-LLVKDONJSA-N 1 2 358.354 2.350 20 5 FEBDLO O=C(NCCCn1cc[nH+]c1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272078771 550420916 /nfs/dbraw/zinc/42/09/16/550420916.db2.gz FGDYFFXCGCERDF-UHFFFAOYSA-N 1 2 351.794 2.377 20 5 FEBDLO Cn1ccnc1[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000272489161 550452341 /nfs/dbraw/zinc/45/23/41/550452341.db2.gz DNAKEQHHBRTLBT-JSGCOSHPSA-N 1 2 358.320 2.321 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494414352 561469397 /nfs/dbraw/zinc/46/93/97/561469397.db2.gz FYTUHDBIXCOGCZ-UHFFFAOYSA-N 1 2 365.430 2.063 20 5 FEBDLO Cc1c(F)cc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000274844063 550558669 /nfs/dbraw/zinc/55/86/69/550558669.db2.gz GBFYAMORYLYNSG-UHFFFAOYSA-N 1 2 368.390 2.334 20 5 FEBDLO COC(=O)c1cnc(NCc2cc[nH+]c(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000276649082 550581431 /nfs/dbraw/zinc/58/14/31/550581431.db2.gz YTCKDZALLUGHOY-UHFFFAOYSA-N 1 2 357.370 2.384 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCc3cc[nH]c(=O)c3C2)cccc1[N+](=O)[O-] ZINC000276931217 550612453 /nfs/dbraw/zinc/61/24/53/550612453.db2.gz MJYLRKNMBHWKCU-LBPRGKRZSA-N 1 2 356.382 2.389 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCc3cc[nH]c(=O)c3C2)cccc1[N+](=O)[O-] ZINC000276931217 550612454 /nfs/dbraw/zinc/61/24/54/550612454.db2.gz MJYLRKNMBHWKCU-LBPRGKRZSA-N 1 2 356.382 2.389 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@](=O)C1 ZINC000277514915 550679644 /nfs/dbraw/zinc/67/96/44/550679644.db2.gz OWTVWAKKYPBGEF-SHZVTRLKSA-N 1 2 362.455 2.196 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@](=O)C1 ZINC000277514915 550679646 /nfs/dbraw/zinc/67/96/46/550679646.db2.gz OWTVWAKKYPBGEF-SHZVTRLKSA-N 1 2 362.455 2.196 20 5 FEBDLO C[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000278448558 550787382 /nfs/dbraw/zinc/78/73/82/550787382.db2.gz RKZBFYWVZVQAGI-GWCFXTLKSA-N 1 2 360.336 2.166 20 5 FEBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000279382207 550883861 /nfs/dbraw/zinc/88/38/61/550883861.db2.gz UIMDEDHZOWFXIK-TXEJJXNPSA-N 1 2 355.822 2.429 20 5 FEBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000279382207 550883862 /nfs/dbraw/zinc/88/38/62/550883862.db2.gz UIMDEDHZOWFXIK-TXEJJXNPSA-N 1 2 355.822 2.429 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000279703793 550918959 /nfs/dbraw/zinc/91/89/59/550918959.db2.gz HGIPSSRQOXNCOC-ZUMXRPEOSA-N 1 2 363.414 2.190 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000279703793 550918961 /nfs/dbraw/zinc/91/89/61/550918961.db2.gz HGIPSSRQOXNCOC-ZUMXRPEOSA-N 1 2 363.414 2.190 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC2(CCOCC2)O1 ZINC000279925451 550943402 /nfs/dbraw/zinc/94/34/02/550943402.db2.gz WLRXHOQMHASYJF-CYBMUJFWSA-N 1 2 374.397 2.415 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC2(CCOCC2)O1 ZINC000279925451 550943403 /nfs/dbraw/zinc/94/34/03/550943403.db2.gz WLRXHOQMHASYJF-CYBMUJFWSA-N 1 2 374.397 2.415 20 5 FEBDLO O=[N+]([O-])c1cc(C[NH2+][C@@]2(CO)CCOc3ccccc32)c2c(c1)COCO2 ZINC000281560493 551113238 /nfs/dbraw/zinc/11/32/38/551113238.db2.gz BUEBQDPJQRDKIV-LJQANCHMSA-N 1 2 372.377 2.221 20 5 FEBDLO Cc1cc(N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2ccnn2C)ncc1[N+](=O)[O-] ZINC000281607166 551119425 /nfs/dbraw/zinc/11/94/25/551119425.db2.gz YUHULOLMHGKIDT-ZFWWWQNUSA-N 1 2 362.409 2.081 20 5 FEBDLO Cc1cc(N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2ccnn2C)ncc1[N+](=O)[O-] ZINC000281607166 551119426 /nfs/dbraw/zinc/11/94/26/551119426.db2.gz YUHULOLMHGKIDT-ZFWWWQNUSA-N 1 2 362.409 2.081 20 5 FEBDLO Cc1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)CC2)nc(C(C)C)[nH+]1 ZINC000497654633 561505687 /nfs/dbraw/zinc/50/56/87/561505687.db2.gz YFHPESQNUVBZFV-UHFFFAOYSA-N 1 2 372.429 2.118 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1C ZINC000497732331 561507477 /nfs/dbraw/zinc/50/74/77/561507477.db2.gz JSITXCJHSRBDEF-AWEZNQCLSA-N 1 2 367.427 2.386 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c1 ZINC000283345675 551351309 /nfs/dbraw/zinc/35/13/09/551351309.db2.gz ZYGRQNBHRRLYBX-SJKOYZFVSA-N 1 2 374.397 2.377 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c1F ZINC000284065942 551477841 /nfs/dbraw/zinc/47/78/41/551477841.db2.gz YTBPJBWYFKTAEJ-UHFFFAOYSA-N 1 2 374.372 2.204 20 5 FEBDLO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1nncn1C ZINC000285267043 551729022 /nfs/dbraw/zinc/72/90/22/551729022.db2.gz DLVINVFGQYKRBX-AWEZNQCLSA-N 1 2 366.809 2.302 20 5 FEBDLO COc1ccc(C(=O)NC(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000285370095 551745052 /nfs/dbraw/zinc/74/50/52/551745052.db2.gz QWFQSBDRTOYLOV-UHFFFAOYSA-N 1 2 371.393 2.034 20 5 FEBDLO COc1ccc(C(=O)NC(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000285370095 551745054 /nfs/dbraw/zinc/74/50/54/551745054.db2.gz QWFQSBDRTOYLOV-UHFFFAOYSA-N 1 2 371.393 2.034 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000285860680 551819928 /nfs/dbraw/zinc/81/99/28/551819928.db2.gz PQRAJPBNWHBZRH-CJNGLKHVSA-N 1 2 374.441 2.104 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000285860675 551819978 /nfs/dbraw/zinc/81/99/78/551819978.db2.gz PQRAJPBNWHBZRH-BBRMVZONSA-N 1 2 374.441 2.104 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287436435 552003791 /nfs/dbraw/zinc/00/37/91/552003791.db2.gz QWDJROVHDYSHIO-ZBFHGGJFSA-N 1 2 361.442 2.455 20 5 FEBDLO COC(=O)c1cc(C)nc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000287849549 552054630 /nfs/dbraw/zinc/05/46/30/552054630.db2.gz MGRKQCUYIOTWGI-SMDDNHRTSA-N 1 2 359.386 2.369 20 5 FEBDLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000288528463 552169766 /nfs/dbraw/zinc/16/97/66/552169766.db2.gz RRRYYKFVJOICLS-IZOOLLGQSA-N 1 2 368.393 2.276 20 5 FEBDLO CO[C@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289689915 552362465 /nfs/dbraw/zinc/36/24/65/552362465.db2.gz DUSMKJHNSMOTJV-LBPRGKRZSA-N 1 2 362.167 2.420 20 5 FEBDLO CO[C@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289689915 552362466 /nfs/dbraw/zinc/36/24/66/552362466.db2.gz DUSMKJHNSMOTJV-LBPRGKRZSA-N 1 2 362.167 2.420 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000289817424 552382990 /nfs/dbraw/zinc/38/29/90/552382990.db2.gz OHIWWCQSDAIINR-XJKSGUPXSA-N 1 2 362.430 2.484 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000500662790 561578939 /nfs/dbraw/zinc/57/89/39/561578939.db2.gz IVJZXMTWEIPIJG-UHFFFAOYSA-N 1 2 356.382 2.269 20 5 FEBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(N[C@@H](C)Cn2ccnc2)n1 ZINC000290532948 552493950 /nfs/dbraw/zinc/49/39/50/552493950.db2.gz OIXKSBHHHQROQP-KGLIPLIRSA-N 1 2 370.417 2.384 20 5 FEBDLO C[C@H](Cn1ccnc1)Nc1ccc([N+](=O)[O-])c(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000290532948 552493952 /nfs/dbraw/zinc/49/39/52/552493952.db2.gz OIXKSBHHHQROQP-KGLIPLIRSA-N 1 2 370.417 2.384 20 5 FEBDLO CC(C)(NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000291893283 552672513 /nfs/dbraw/zinc/67/25/13/552672513.db2.gz PJFOUAYQIAAEEM-UHFFFAOYSA-N 1 2 364.446 2.240 20 5 FEBDLO CC(C)(NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000291893283 552672514 /nfs/dbraw/zinc/67/25/14/552672514.db2.gz PJFOUAYQIAAEEM-UHFFFAOYSA-N 1 2 364.446 2.240 20 5 FEBDLO Cc1cccc([C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000294474495 552909132 /nfs/dbraw/zinc/90/91/32/552909132.db2.gz MIIQCIOEKLCVPX-QGZVFWFLSA-N 1 2 363.458 2.320 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000295845253 553066941 /nfs/dbraw/zinc/06/69/41/553066941.db2.gz JNHQSFCOVQPDPY-CQSZACIVSA-N 1 2 354.370 2.428 20 5 FEBDLO Cc1c(NC(=O)C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000295976488 553083963 /nfs/dbraw/zinc/08/39/63/553083963.db2.gz CSFFHHRNWTYUJE-AWEZNQCLSA-N 1 2 371.397 2.185 20 5 FEBDLO Cc1cc(F)c(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000296652483 553193611 /nfs/dbraw/zinc/19/36/11/553193611.db2.gz FONAMLBJTNRXJJ-STQMWFEESA-N 1 2 366.393 2.369 20 5 FEBDLO CC(=O)c1ccccc1OCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298017051 553371898 /nfs/dbraw/zinc/37/18/98/553371898.db2.gz DCWQGLZKRFSVDZ-UHFFFAOYSA-N 1 2 370.409 2.393 20 5 FEBDLO C[C@]12CC[N@H+](CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@H]1C2(F)F ZINC000298297993 553409630 /nfs/dbraw/zinc/40/96/30/553409630.db2.gz PLDLXOPCQSLKCB-HIFRSBDPSA-N 1 2 369.324 2.239 20 5 FEBDLO C[C@]12CC[N@@H+](CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@H]1C2(F)F ZINC000298297993 553409632 /nfs/dbraw/zinc/40/96/32/553409632.db2.gz PLDLXOPCQSLKCB-HIFRSBDPSA-N 1 2 369.324 2.239 20 5 FEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(Cl)cc1 ZINC000503701250 561647226 /nfs/dbraw/zinc/64/72/26/561647226.db2.gz PIKNDWPSGOCWTJ-ZDUSSCGKSA-N 1 2 360.761 2.224 20 5 FEBDLO CCOC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000299624934 553590839 /nfs/dbraw/zinc/59/08/39/553590839.db2.gz FLHPEEUBXXNEHU-HNNXBMFYSA-N 1 2 372.381 2.338 20 5 FEBDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000301099778 553621831 /nfs/dbraw/zinc/62/18/31/553621831.db2.gz SOIDSRXXTRXKPP-HZPDHXFCSA-N 1 2 360.458 2.412 20 5 FEBDLO CC1(C)C[NH+]=C(N2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)S1 ZINC000301535533 553659188 /nfs/dbraw/zinc/65/91/88/553659188.db2.gz AFKVAOFOSPDNPG-UHFFFAOYSA-N 1 2 366.472 2.307 20 5 FEBDLO Cc1cccc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)c1[N+](=O)[O-] ZINC000302488159 553718427 /nfs/dbraw/zinc/71/84/27/553718427.db2.gz IZGQIAZIMWCJFI-QGZVFWFLSA-N 1 2 362.474 2.134 20 5 FEBDLO Cc1cccc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)c1[N+](=O)[O-] ZINC000302523880 553720003 /nfs/dbraw/zinc/72/00/03/553720003.db2.gz ZABPYUWHKGWDJF-UHFFFAOYSA-N 1 2 360.458 2.428 20 5 FEBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000505470223 561671580 /nfs/dbraw/zinc/67/15/80/561671580.db2.gz YQSSBLRCOSEVLR-KRWDZBQOSA-N 1 2 365.393 2.118 20 5 FEBDLO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000311969726 553755583 /nfs/dbraw/zinc/75/55/83/553755583.db2.gz AYRJEPDGTWNCOQ-INIZCTEOSA-N 1 2 359.430 2.433 20 5 FEBDLO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000311969726 553755584 /nfs/dbraw/zinc/75/55/84/553755584.db2.gz AYRJEPDGTWNCOQ-INIZCTEOSA-N 1 2 359.430 2.433 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000330693724 554158310 /nfs/dbraw/zinc/15/83/10/554158310.db2.gz CMRDASOLGYFJJI-CJNGLKHVSA-N 1 2 365.430 2.271 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000330693724 554158315 /nfs/dbraw/zinc/15/83/15/554158315.db2.gz CMRDASOLGYFJJI-CJNGLKHVSA-N 1 2 365.430 2.271 20 5 FEBDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000331995333 554360089 /nfs/dbraw/zinc/36/00/89/554360089.db2.gz XLPSBUGZPQCYQK-OAHLLOKOSA-N 1 2 360.458 2.160 20 5 FEBDLO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000331995333 554360092 /nfs/dbraw/zinc/36/00/92/554360092.db2.gz XLPSBUGZPQCYQK-OAHLLOKOSA-N 1 2 360.458 2.160 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000332118293 554383977 /nfs/dbraw/zinc/38/39/77/554383977.db2.gz FBOLXAJNAGEOIY-CABCVRRESA-N 1 2 351.428 2.048 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000332118293 554383979 /nfs/dbraw/zinc/38/39/79/554383979.db2.gz FBOLXAJNAGEOIY-CABCVRRESA-N 1 2 351.428 2.048 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1C ZINC000361789560 554935256 /nfs/dbraw/zinc/93/52/56/554935256.db2.gz PTCHMKRCYONSOO-CYBMUJFWSA-N 1 2 364.427 2.123 20 5 FEBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000363202178 555052540 /nfs/dbraw/zinc/05/25/40/555052540.db2.gz NPCSLFRZPNJOKT-UHFFFAOYSA-N 1 2 371.328 2.010 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000363499346 555121230 /nfs/dbraw/zinc/12/12/30/555121230.db2.gz NMGTZYQQZSQCEE-AWEZNQCLSA-N 1 2 360.414 2.010 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H](N2CCCCC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000363499346 555121231 /nfs/dbraw/zinc/12/12/31/555121231.db2.gz NMGTZYQQZSQCEE-AWEZNQCLSA-N 1 2 360.414 2.010 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000363978237 555225813 /nfs/dbraw/zinc/22/58/13/555225813.db2.gz MCFJYBAFALRAPN-CYBMUJFWSA-N 1 2 364.427 2.097 20 5 FEBDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000364067489 555243847 /nfs/dbraw/zinc/24/38/47/555243847.db2.gz GLVLFIHRIWWAAU-GOSISDBHSA-N 1 2 365.393 2.224 20 5 FEBDLO CCOC(=O)c1cc(C(=O)N2CCC[C@@H]2c2[nH+]ccn2C)cc([N+](=O)[O-])c1 ZINC000364532955 555331033 /nfs/dbraw/zinc/33/10/33/555331033.db2.gz PBSIVDHGRARCPZ-OAHLLOKOSA-N 1 2 372.381 2.482 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000364545165 555334080 /nfs/dbraw/zinc/33/40/80/555334080.db2.gz WSJCHTTVVNHQBI-UHFFFAOYSA-N 1 2 364.427 2.257 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000364682682 555373895 /nfs/dbraw/zinc/37/38/95/555373895.db2.gz QCOVTCCRNYNMEK-CVEARBPZSA-N 1 2 369.381 2.185 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C2 ZINC000365061515 555476572 /nfs/dbraw/zinc/47/65/72/555476572.db2.gz BEHPYQVQJLLVON-CQSZACIVSA-N 1 2 369.425 2.445 20 5 FEBDLO COc1cc(OCC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000365459622 555581204 /nfs/dbraw/zinc/58/12/04/555581204.db2.gz KXNSWQCSIYKLPS-CYBMUJFWSA-N 1 2 374.397 2.122 20 5 FEBDLO CC(=O)c1ccc(NC(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000365856527 555684355 /nfs/dbraw/zinc/68/43/55/555684355.db2.gz JIFZBYNCAPCXKH-UHFFFAOYSA-N 1 2 371.397 2.270 20 5 FEBDLO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000366334997 555814714 /nfs/dbraw/zinc/81/47/14/555814714.db2.gz URAPGZZEBUUYRI-CZUORRHYSA-N 1 2 362.430 2.127 20 5 FEBDLO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000366334997 555814716 /nfs/dbraw/zinc/81/47/16/555814716.db2.gz URAPGZZEBUUYRI-CZUORRHYSA-N 1 2 362.430 2.127 20 5 FEBDLO C[C@H]([C@H](C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000514208141 561963516 /nfs/dbraw/zinc/96/35/16/561963516.db2.gz JQGBSTKEYDTQOS-WDEREUQCSA-N 1 2 373.356 2.035 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000366628190 555894554 /nfs/dbraw/zinc/89/45/54/555894554.db2.gz FTEGBPSJPCAGAR-HNNXBMFYSA-N 1 2 365.455 2.143 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000366628190 555894557 /nfs/dbraw/zinc/89/45/57/555894557.db2.gz FTEGBPSJPCAGAR-HNNXBMFYSA-N 1 2 365.455 2.143 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000366891845 555961354 /nfs/dbraw/zinc/96/13/54/555961354.db2.gz XOAZJIIWIFLNHK-CHWSQXEVSA-N 1 2 370.413 2.174 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000366891845 555961355 /nfs/dbraw/zinc/96/13/55/555961355.db2.gz XOAZJIIWIFLNHK-CHWSQXEVSA-N 1 2 370.413 2.174 20 5 FEBDLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000366895348 555962653 /nfs/dbraw/zinc/96/26/53/555962653.db2.gz JGDKIYJMLASNEH-INIZCTEOSA-N 1 2 371.397 2.239 20 5 FEBDLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000366895348 555962654 /nfs/dbraw/zinc/96/26/54/555962654.db2.gz JGDKIYJMLASNEH-INIZCTEOSA-N 1 2 371.397 2.239 20 5 FEBDLO COC(=O)c1cc(C)nc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000367420639 556043871 /nfs/dbraw/zinc/04/38/71/556043871.db2.gz SVNKPONQCQZKRI-CYBMUJFWSA-N 1 2 358.354 2.138 20 5 FEBDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)CC2 ZINC000367784993 556138674 /nfs/dbraw/zinc/13/86/74/556138674.db2.gz RZAAKOASCKXVTK-UHFFFAOYSA-N 1 2 370.818 2.266 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369002559 556473497 /nfs/dbraw/zinc/47/34/97/556473497.db2.gz QSQXPVSOXXQPOF-DZGCQCFKSA-N 1 2 373.413 2.464 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369002559 556473498 /nfs/dbraw/zinc/47/34/98/556473498.db2.gz QSQXPVSOXXQPOF-DZGCQCFKSA-N 1 2 373.413 2.464 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000369366723 556581542 /nfs/dbraw/zinc/58/15/42/556581542.db2.gz RCVOSTOJRRRJSC-CYBMUJFWSA-N 1 2 364.427 2.205 20 5 FEBDLO O=C(N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1([NH+]2CCOCC2)CCC1 ZINC000369988489 556750111 /nfs/dbraw/zinc/75/01/11/556750111.db2.gz VQUMODDNBMMNHA-UHFFFAOYSA-N 1 2 359.426 2.341 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000370358919 556849997 /nfs/dbraw/zinc/84/99/97/556849997.db2.gz RVDFDXRDMXOZDA-NSHDSACASA-N 1 2 358.383 2.310 20 5 FEBDLO Cc1cc(N2CCC(NC(=O)Cc3ccccc3[N+](=O)[O-])CC2)nc[nH+]1 ZINC000371187421 557101150 /nfs/dbraw/zinc/10/11/50/557101150.db2.gz YNBITOWDJSJCMW-UHFFFAOYSA-N 1 2 355.398 2.021 20 5 FEBDLO C[C@H](C(=O)NCc1cccs1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372281460 557428332 /nfs/dbraw/zinc/42/83/32/557428332.db2.gz ITDXIZVHQXXOLT-CHWSQXEVSA-N 1 2 363.443 2.195 20 5 FEBDLO C[C@H](C(=O)NCc1cccs1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372281460 557428334 /nfs/dbraw/zinc/42/83/34/557428334.db2.gz ITDXIZVHQXXOLT-CHWSQXEVSA-N 1 2 363.443 2.195 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2cc(C)n[nH]2)C1 ZINC000372923543 557589172 /nfs/dbraw/zinc/58/91/72/557589172.db2.gz DJKYLCHQUAVBNR-CYBMUJFWSA-N 1 2 373.413 2.453 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2cc(C)n[nH]2)C1 ZINC000372923543 557589177 /nfs/dbraw/zinc/58/91/77/557589177.db2.gz DJKYLCHQUAVBNR-CYBMUJFWSA-N 1 2 373.413 2.453 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000372923543 557589180 /nfs/dbraw/zinc/58/91/80/557589180.db2.gz DJKYLCHQUAVBNR-CYBMUJFWSA-N 1 2 373.413 2.453 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000372923543 557589184 /nfs/dbraw/zinc/58/91/84/557589184.db2.gz DJKYLCHQUAVBNR-CYBMUJFWSA-N 1 2 373.413 2.453 20 5 FEBDLO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000373905133 557783815 /nfs/dbraw/zinc/78/38/15/557783815.db2.gz KBMGZRZJPQGAHD-HNNXBMFYSA-N 1 2 362.386 2.480 20 5 FEBDLO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000373905133 557783819 /nfs/dbraw/zinc/78/38/19/557783819.db2.gz KBMGZRZJPQGAHD-HNNXBMFYSA-N 1 2 362.386 2.480 20 5 FEBDLO Cc1c(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000374331252 557866781 /nfs/dbraw/zinc/86/67/81/557866781.db2.gz PGUZOXWNOLGAIF-MRXNPFEDSA-N 1 2 368.393 2.145 20 5 FEBDLO Cc1c(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000374331252 557866783 /nfs/dbraw/zinc/86/67/83/557866783.db2.gz PGUZOXWNOLGAIF-MRXNPFEDSA-N 1 2 368.393 2.145 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000374341542 557868383 /nfs/dbraw/zinc/86/83/83/557868383.db2.gz OZRZNVFSHYSALB-CYBMUJFWSA-N 1 2 366.381 2.144 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374354535 557870908 /nfs/dbraw/zinc/87/09/08/557870908.db2.gz URYZAAWVNUFGOU-CYBMUJFWSA-N 1 2 364.427 2.069 20 5 FEBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374379565 557875053 /nfs/dbraw/zinc/87/50/53/557875053.db2.gz XDEMADYXNJTSFN-SFHVURJKSA-N 1 2 365.393 2.187 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@](F)(c3ccccc3Cl)C2)c1 ZINC000374525122 557895109 /nfs/dbraw/zinc/89/51/09/557895109.db2.gz XZKFGBMCGLRGLH-BBRMVZONSA-N 1 2 368.796 2.376 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@](F)(c3ccccc3Cl)C2)c1 ZINC000374525122 557895110 /nfs/dbraw/zinc/89/51/10/557895110.db2.gz XZKFGBMCGLRGLH-BBRMVZONSA-N 1 2 368.796 2.376 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000375326551 558009829 /nfs/dbraw/zinc/00/98/29/558009829.db2.gz DYYSWDDJQDCSMY-PWSUYJOCSA-N 1 2 364.793 2.114 20 5 FEBDLO 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370.409 2.179 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H](CCO)CC1 ZINC000422057424 559563155 /nfs/dbraw/zinc/56/31/55/559563155.db2.gz ODGIPNWSHKENKA-CQSZACIVSA-N 1 2 358.398 2.405 20 5 FEBDLO COc1ccccc1[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000427902581 559764865 /nfs/dbraw/zinc/76/48/65/559764865.db2.gz FNUYNLORIDTTLT-INIZCTEOSA-N 1 2 359.382 2.342 20 5 FEBDLO CSC[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000429290407 559794984 /nfs/dbraw/zinc/79/49/84/559794984.db2.gz FSTCCOKTLWJQSB-CYBMUJFWSA-N 1 2 358.485 2.444 20 5 FEBDLO CSC[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000429290407 559794985 /nfs/dbraw/zinc/79/49/85/559794985.db2.gz FSTCCOKTLWJQSB-CYBMUJFWSA-N 1 2 358.485 2.444 20 5 FEBDLO CCN1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000432996205 559869557 /nfs/dbraw/zinc/86/95/57/559869557.db2.gz FNGLEHRSNVAOEO-AWEZNQCLSA-N 1 2 363.805 2.490 20 5 FEBDLO 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IVOHMMLPCULOGQ-ARJAWSKDSA-N 1 2 353.444 2.257 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@](C)(OC)C2)c([N+](=O)[O-])c1 ZINC000470915023 560993816 /nfs/dbraw/zinc/99/38/16/560993816.db2.gz XUTBKBKXNXBMIC-QGZVFWFLSA-N 1 2 351.403 2.433 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@](C)(OC)C2)c([N+](=O)[O-])c1 ZINC000470915023 560993817 /nfs/dbraw/zinc/99/38/17/560993817.db2.gz XUTBKBKXNXBMIC-QGZVFWFLSA-N 1 2 351.403 2.433 20 5 FEBDLO Cc1nn(C)c(C)c1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472352750 561024995 /nfs/dbraw/zinc/02/49/95/561024995.db2.gz VFEISGIMXRJXBK-UHFFFAOYSA-N 1 2 359.430 2.389 20 5 FEBDLO Cn1c(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)ccc1[N+](=O)[O-] ZINC000474650328 561079641 /nfs/dbraw/zinc/07/96/41/561079641.db2.gz LISKESSOCDFCPV-UHFFFAOYSA-N 1 2 362.817 2.375 20 5 FEBDLO Cn1c(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)ccc1[N+](=O)[O-] ZINC000474650328 561079642 /nfs/dbraw/zinc/07/96/42/561079642.db2.gz LISKESSOCDFCPV-UHFFFAOYSA-N 1 2 362.817 2.375 20 5 FEBDLO NC(=O)c1ccc(N2CCc3c([nH+]cn3-c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000477137680 561137577 /nfs/dbraw/zinc/13/75/77/561137577.db2.gz VXNCIZQHISZGSL-UHFFFAOYSA-N 1 2 363.377 2.442 20 5 FEBDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000531633625 562452379 /nfs/dbraw/zinc/45/23/79/562452379.db2.gz LRYJVGNFEHPXLY-UHFFFAOYSA-N 1 2 370.409 2.347 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000532477867 562478962 /nfs/dbraw/zinc/47/89/62/562478962.db2.gz QDJNBEDBQFIYSG-UHFFFAOYSA-N 1 2 362.430 2.078 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc3c(cc1[N+](=O)[O-])OCO3)CCC2 ZINC000532780523 562488651 /nfs/dbraw/zinc/48/86/51/562488651.db2.gz GGVQVGGMPQQELG-NSHDSACASA-N 1 2 358.354 2.136 20 5 FEBDLO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000532990453 562494848 /nfs/dbraw/zinc/49/48/48/562494848.db2.gz VVUYEXRBHWSXCP-LBPRGKRZSA-N 1 2 361.320 2.237 20 5 FEBDLO NC(=O)c1ccc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000532990453 562494849 /nfs/dbraw/zinc/49/48/49/562494849.db2.gz VVUYEXRBHWSXCP-LBPRGKRZSA-N 1 2 361.320 2.237 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCN1CCCC1=O ZINC000534275954 562529507 /nfs/dbraw/zinc/52/95/07/562529507.db2.gz LAFFYAXSQDMNJM-NSHDSACASA-N 1 2 368.821 2.129 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCN1CCCC1=O ZINC000534275954 562529508 /nfs/dbraw/zinc/52/95/08/562529508.db2.gz LAFFYAXSQDMNJM-NSHDSACASA-N 1 2 368.821 2.129 20 5 FEBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000536514112 562577503 /nfs/dbraw/zinc/57/75/03/562577503.db2.gz UQTVRJASPXXNKO-LBPRGKRZSA-N 1 2 351.366 2.480 20 5 FEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C[C@H]1C ZINC000541817445 562620459 /nfs/dbraw/zinc/62/04/59/562620459.db2.gz GKKYSSYFOFVLAL-OLZOCXBDSA-N 1 2 355.460 2.315 20 5 FEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C[C@H]1C ZINC000541817445 562620460 /nfs/dbraw/zinc/62/04/60/562620460.db2.gz GKKYSSYFOFVLAL-OLZOCXBDSA-N 1 2 355.460 2.315 20 5 FEBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000604411549 568272193 /nfs/dbraw/zinc/27/21/93/568272193.db2.gz ZUHNPRAVBUGJLS-UHFFFAOYSA-N 1 2 356.386 2.388 20 5 FEBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000604411549 568272194 /nfs/dbraw/zinc/27/21/94/568272194.db2.gz ZUHNPRAVBUGJLS-UHFFFAOYSA-N 1 2 356.386 2.388 20 5 FEBDLO Cc1ccc(NCCCNC(=O)[C@H]2CCc3c[nH+]cn3C2)c([N+](=O)[O-])c1 ZINC000569930096 568437851 /nfs/dbraw/zinc/43/78/51/568437851.db2.gz CFBYRMJRWBXVIJ-AWEZNQCLSA-N 1 2 357.414 2.281 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000570233877 568463954 /nfs/dbraw/zinc/46/39/54/568463954.db2.gz PWHJULYMXYWJQJ-CHWSQXEVSA-N 1 2 358.398 2.011 20 5 FEBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809830213 674514105 /nfs/dbraw/zinc/51/41/05/674514105.db2.gz TXBZXFGFYPDHFQ-DTWKUNHWSA-N 1 2 365.814 2.100 20 5 FEBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809830213 674514106 /nfs/dbraw/zinc/51/41/06/674514106.db2.gz TXBZXFGFYPDHFQ-DTWKUNHWSA-N 1 2 365.814 2.100 20 5 FEBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1n1cc[nH+]c1 ZINC000820728105 607047462 /nfs/dbraw/zinc/04/74/62/607047462.db2.gz STHPEBBYWGRSHO-ABAIWWIYSA-N 1 2 354.374 2.059 20 5 FEBDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815028502 674902467 /nfs/dbraw/zinc/90/24/67/674902467.db2.gz CVPNZIYJLQWBII-RKDXNWHRSA-N 1 2 365.814 2.100 20 5 FEBDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815028502 674902469 /nfs/dbraw/zinc/90/24/69/674902469.db2.gz CVPNZIYJLQWBII-RKDXNWHRSA-N 1 2 365.814 2.100 20 5 FEBDLO C[C@H]1CN=C(N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)S1 ZINC000079496671 670605690 /nfs/dbraw/zinc/60/56/90/670605690.db2.gz NRZHSXLOZVYVST-ZDUSSCGKSA-N 1 2 350.444 2.083 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609134786 675911332 /nfs/dbraw/zinc/91/13/32/675911332.db2.gz WZKILTYCTWQVCZ-ZDUSSCGKSA-N 1 2 350.400 2.126 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000578792609 671689831 /nfs/dbraw/zinc/68/98/31/671689831.db2.gz GCSWMELDHWORGZ-AWEZNQCLSA-N 1 2 351.794 2.169 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000578792609 671689832 /nfs/dbraw/zinc/68/98/32/671689832.db2.gz GCSWMELDHWORGZ-AWEZNQCLSA-N 1 2 351.794 2.169 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000579124767 671713903 /nfs/dbraw/zinc/71/39/03/671713903.db2.gz SJDFWRQIXPWWIE-UHFFFAOYSA-N 1 2 351.794 2.420 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000609674625 675932192 /nfs/dbraw/zinc/93/21/92/675932192.db2.gz HQAKBWKYRWLGKC-CYBMUJFWSA-N 1 2 350.400 2.126 20 5 FEBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000609873359 675940560 /nfs/dbraw/zinc/94/05/60/675940560.db2.gz FUMPWDASHRANPE-OAHLLOKOSA-N 1 2 353.806 2.185 20 5 FEBDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000171070437 672328748 /nfs/dbraw/zinc/32/87/48/672328748.db2.gz VCZANTBHZWVJID-UHFFFAOYSA-N 1 2 356.810 2.481 20 5 FEBDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000171070437 672328749 /nfs/dbraw/zinc/32/87/49/672328749.db2.gz VCZANTBHZWVJID-UHFFFAOYSA-N 1 2 356.810 2.481 20 5 FEBDLO C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000610912386 676005128 /nfs/dbraw/zinc/00/51/28/676005128.db2.gz DPTGJEUAZARSAV-NOZJJQNGSA-N 1 2 361.320 2.063 20 5 FEBDLO C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000610912386 676005129 /nfs/dbraw/zinc/00/51/29/676005129.db2.gz DPTGJEUAZARSAV-NOZJJQNGSA-N 1 2 361.320 2.063 20 5 FEBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000587036168 672439953 /nfs/dbraw/zinc/43/99/53/672439953.db2.gz MBUISCGLCRUHBZ-PWSUYJOCSA-N 1 2 364.789 2.343 20 5 FEBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611233328 676027247 /nfs/dbraw/zinc/02/72/47/676027247.db2.gz BWAZHJQUIMZTMA-OAHLLOKOSA-N 1 2 364.427 2.001 20 5 FEBDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000611285578 676029877 /nfs/dbraw/zinc/02/98/77/676029877.db2.gz HHIWDCUDVFDYQC-ZQMJAJRESA-N 1 2 353.444 2.010 20 5 FEBDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000611285578 676029879 /nfs/dbraw/zinc/02/98/79/676029879.db2.gz HHIWDCUDVFDYQC-ZQMJAJRESA-N 1 2 353.444 2.010 20 5 FEBDLO O=[N+]([O-])c1cc(CNc2nc[nH+]c3c2OCCN3)cc(C(F)(F)F)c1 ZINC000591157952 672655225 /nfs/dbraw/zinc/65/52/25/672655225.db2.gz RRXGKRASECXOTE-UHFFFAOYSA-N 1 2 355.276 2.820 20 5 FEBDLO O=[N+]([O-])c1cc(CNc2[nH+]cnc3c2OCCN3)cc(C(F)(F)F)c1 ZINC000591157952 672655231 /nfs/dbraw/zinc/65/52/31/672655231.db2.gz RRXGKRASECXOTE-UHFFFAOYSA-N 1 2 355.276 2.820 20 5 FEBDLO C[N@@H+]1CCc2nc(NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])sc2C1 ZINC000593413526 672920107 /nfs/dbraw/zinc/92/01/07/672920107.db2.gz CLHFHIZSCNZBAD-UHFFFAOYSA-N 1 2 350.375 2.360 20 5 FEBDLO C[N@H+]1CCc2nc(NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])sc2C1 ZINC000593413526 672920109 /nfs/dbraw/zinc/92/01/09/672920109.db2.gz CLHFHIZSCNZBAD-UHFFFAOYSA-N 1 2 350.375 2.360 20 5 FEBDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000595915103 673338809 /nfs/dbraw/zinc/33/88/09/673338809.db2.gz IPCUJIZISJDVNW-WQGACYEGSA-N 1 2 360.357 2.079 20 5 FEBDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000595915103 673338813 /nfs/dbraw/zinc/33/88/13/673338813.db2.gz IPCUJIZISJDVNW-WQGACYEGSA-N 1 2 360.357 2.079 20 5 FEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597092020 673446460 /nfs/dbraw/zinc/44/64/60/673446460.db2.gz IKZHYSLMLPNDIL-ZJUUUORDSA-N 1 2 371.825 2.061 20 5 FEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597092020 673446461 /nfs/dbraw/zinc/44/64/61/673446461.db2.gz IKZHYSLMLPNDIL-ZJUUUORDSA-N 1 2 371.825 2.061 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000597710634 673501475 /nfs/dbraw/zinc/50/14/75/673501475.db2.gz XCMYCAXRHSIDGV-ZDUSSCGKSA-N 1 2 365.455 2.254 20 5 FEBDLO C[C@@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000741144949 673672628 /nfs/dbraw/zinc/67/26/28/673672628.db2.gz HHSHFMQEFQBXQL-ZWNOBZJWSA-N 1 2 353.350 2.088 20 5 FEBDLO C[C@@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000741144949 673672632 /nfs/dbraw/zinc/67/26/32/673672632.db2.gz HHSHFMQEFQBXQL-ZWNOBZJWSA-N 1 2 353.350 2.088 20 5 FEBDLO Nc1nccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1[N+](=O)[O-] ZINC000548056450 673918739 /nfs/dbraw/zinc/91/87/39/673918739.db2.gz UHBKERKGAAKHDL-UHFFFAOYSA-N 1 2 362.415 2.267 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000618465187 676340864 /nfs/dbraw/zinc/34/08/64/676340864.db2.gz KXJWEWGXLVTDLR-CYBMUJFWSA-N 1 2 353.806 2.103 20 5 FEBDLO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)OCCCn1cc[nH+]c1 ZINC000838095977 680672884 /nfs/dbraw/zinc/67/28/84/680672884.db2.gz QXVVBGPQBWHCHP-UHFFFAOYSA-N 1 2 350.306 2.136 20 5 FEBDLO C[C@H]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000768846993 680961149 /nfs/dbraw/zinc/96/11/49/680961149.db2.gz ANEOZQHBGXCOGE-CMPLNLGQSA-N 1 2 356.429 2.125 20 5 FEBDLO CC(C)c1ccc(CN2CC[NH+](CC[S@](C)=O)CC2)cc1[N+](=O)[O-] ZINC000769478681 680984306 /nfs/dbraw/zinc/98/43/06/680984306.db2.gz FHCHZPXUSLDNFR-DEOSSOPVSA-N 1 2 353.488 2.214 20 5 FEBDLO CSCC1CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000932586828 681268652 /nfs/dbraw/zinc/26/86/52/681268652.db2.gz BFRBTIHFYWWSAP-UHFFFAOYSA-N 1 2 358.485 2.444 20 5 FEBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000874705955 685450504 /nfs/dbraw/zinc/45/05/04/685450504.db2.gz IVRAQVWJQONKFJ-GFCCVEGCSA-N 1 2 353.444 2.157 20 5 FEBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000874705955 685450507 /nfs/dbraw/zinc/45/05/07/685450507.db2.gz IVRAQVWJQONKFJ-GFCCVEGCSA-N 1 2 353.444 2.157 20 5 FEBDLO CCOc1cc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)c([N+](=O)[O-])cc1OC ZINC000788084074 682502398 /nfs/dbraw/zinc/50/23/98/682502398.db2.gz QDWBIZQCKXQTTK-LLVKDONJSA-N 1 2 356.350 2.203 20 5 FEBDLO CCOc1cc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)c([N+](=O)[O-])cc1OC ZINC000788084074 682502400 /nfs/dbraw/zinc/50/24/00/682502400.db2.gz QDWBIZQCKXQTTK-LLVKDONJSA-N 1 2 356.350 2.203 20 5 FEBDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000854185214 682522725 /nfs/dbraw/zinc/52/27/25/682522725.db2.gz RPDOWAATOMNMFX-WDEREUQCSA-N 1 2 356.810 2.479 20 5 FEBDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000854185214 682522728 /nfs/dbraw/zinc/52/27/28/682522728.db2.gz RPDOWAATOMNMFX-WDEREUQCSA-N 1 2 356.810 2.479 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cn3nccc3[N+](=O)[O-])CC[C@H]21 ZINC000793704885 682905316 /nfs/dbraw/zinc/90/53/16/682905316.db2.gz JVEKUGAKQLFNKB-QWHCGFSZSA-N 1 2 351.407 2.080 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cn3nccc3[N+](=O)[O-])CC[C@H]21 ZINC000793704885 682905317 /nfs/dbraw/zinc/90/53/17/682905317.db2.gz JVEKUGAKQLFNKB-QWHCGFSZSA-N 1 2 351.407 2.080 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000793712694 682905547 /nfs/dbraw/zinc/90/55/47/682905547.db2.gz XZHYVPQFWCPCFI-TZMCWYRMSA-N 1 2 351.407 2.080 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000793712694 682905549 /nfs/dbraw/zinc/90/55/49/682905549.db2.gz XZHYVPQFWCPCFI-TZMCWYRMSA-N 1 2 351.407 2.080 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000795128398 683021115 /nfs/dbraw/zinc/02/11/15/683021115.db2.gz DVSNJDOLVXZIHA-DOMZBBRYSA-N 1 2 350.444 2.087 20 5 FEBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000928644313 683480374 /nfs/dbraw/zinc/48/03/74/683480374.db2.gz PXECXSVUCJXOLQ-STQMWFEESA-N 1 2 353.394 2.064 20 5 FEBDLO CN1C[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2Br)CCC1=O ZINC000930565177 683753575 /nfs/dbraw/zinc/75/35/75/683753575.db2.gz SSVDEKHOJDMAMR-GFCCVEGCSA-N 1 2 356.220 2.410 20 5 FEBDLO CN1C[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Br)CCC1=O ZINC000930565177 683753579 /nfs/dbraw/zinc/75/35/79/683753579.db2.gz SSVDEKHOJDMAMR-GFCCVEGCSA-N 1 2 356.220 2.410 20 5 FEBDLO C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872085670 684918639 /nfs/dbraw/zinc/91/86/39/684918639.db2.gz OIVRFZXAPSBDHB-MRVPVSSYSA-N 1 2 358.313 2.362 20 5 FEBDLO O=C(Cc1cn2c([nH+]1)CCCC2)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911472078 685214481 /nfs/dbraw/zinc/21/44/81/685214481.db2.gz DEHYHWMHIJGLHZ-UHFFFAOYSA-N 1 2 350.325 2.265 20 5 FEBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000875116542 685734840 /nfs/dbraw/zinc/73/48/40/685734840.db2.gz HTDRUYWRASOUNL-DZGCQCFKSA-N 1 2 350.419 2.066 20 5 FEBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000875116542 685734845 /nfs/dbraw/zinc/73/48/45/685734845.db2.gz HTDRUYWRASOUNL-DZGCQCFKSA-N 1 2 350.419 2.066 20 5 FEBDLO Cn1cc(C[NH+]2CCC(Oc3ccc(Cl)cn3)CC2)c([N+](=O)[O-])n1 ZINC000877586795 686416486 /nfs/dbraw/zinc/41/64/86/686416486.db2.gz SSSUXPQQBDULBB-UHFFFAOYSA-N 1 2 351.794 2.420 20 5 FEBDLO NC(=O)[C@H](F)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000879042199 686722410 /nfs/dbraw/zinc/72/24/10/686722410.db2.gz WTFMKEISPXQSDX-CYBMUJFWSA-N 1 2 374.210 2.393 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886800961 688314279 /nfs/dbraw/zinc/31/42/79/688314279.db2.gz FOKQHWHZYLOTOJ-HZMBPMFUSA-N 1 2 361.320 2.169 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886800961 688314284 /nfs/dbraw/zinc/31/42/84/688314284.db2.gz FOKQHWHZYLOTOJ-HZMBPMFUSA-N 1 2 361.320 2.169 20 5 FEBDLO Cc1nn(C)c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1Cl ZINC000892079018 689147724 /nfs/dbraw/zinc/14/77/24/689147724.db2.gz WHVFFPCXJPIMQB-NSHDSACASA-N 1 2 350.810 2.372 20 5 FEBDLO Cc1nn(C)c(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1Cl ZINC000892079018 689147726 /nfs/dbraw/zinc/14/77/26/689147726.db2.gz WHVFFPCXJPIMQB-NSHDSACASA-N 1 2 350.810 2.372 20 5 FEBDLO C/C(=C/C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)C[NH+]1CCOCC1 ZINC000900048244 690466898 /nfs/dbraw/zinc/46/68/98/690466898.db2.gz CBOAFZLJQIKPBA-LCYFTJDESA-N 1 2 367.833 2.485 20 5 FEBDLO O=C(Cc1c[nH+]c[nH]1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000908072849 691609888 /nfs/dbraw/zinc/60/98/88/691609888.db2.gz SQBAGJGVMYSZAJ-UHFFFAOYSA-N 1 2 365.187 2.208 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908145625 691624564 /nfs/dbraw/zinc/62/45/64/691624564.db2.gz NYBRQHXHZHPXRL-ZYHUDNBSSA-N 1 2 371.796 2.323 20 5 FEBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC001164917530 721812619 /nfs/dbraw/zinc/81/26/19/721812619.db2.gz MTJKUVNVOGVANG-UHFFFAOYSA-N 1 2 356.430 2.244 20 5 FEBDLO Cc1cc(NC(=O)CN2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000011121315 539524106 /nfs/dbraw/zinc/52/41/06/539524106.db2.gz BTLBHMKIUVMYOF-AWEZNQCLSA-N 1 2 373.413 2.209 20 5 FEBDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000023057654 539705141 /nfs/dbraw/zinc/70/51/41/539705141.db2.gz ILILGXHYVQTBGP-INIZCTEOSA-N 1 2 360.458 2.113 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nc(N)cc(C)[nH+]1 ZINC000031745948 539917640 /nfs/dbraw/zinc/91/76/40/539917640.db2.gz MXNQAJCDJVPKKD-UHFFFAOYSA-N 1 2 363.399 2.405 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000041997617 540044639 /nfs/dbraw/zinc/04/46/39/540044639.db2.gz YZEZGTNXBANPGZ-UHFFFAOYSA-N 1 2 353.382 2.481 20 5 FEBDLO CCCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000042685850 540073693 /nfs/dbraw/zinc/07/36/93/540073693.db2.gz LQUHLISUGOFZEG-CYBMUJFWSA-N 1 2 362.430 2.160 20 5 FEBDLO O=C(CCNc1ccccc1[N+](=O)[O-])NCc1cccnc1-n1cc[nH+]c1 ZINC000045897713 540233339 /nfs/dbraw/zinc/23/33/39/540233339.db2.gz XWPLJPNFSRVIHC-UHFFFAOYSA-N 1 2 366.381 2.294 20 5 FEBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000046341260 540252596 /nfs/dbraw/zinc/25/25/96/540252596.db2.gz HRJPIBVYMLMDNR-ZIAGYGMSSA-N 1 2 373.413 2.039 20 5 FEBDLO COc1cc(C[N@@H+](CC(N)=O)CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000046512901 540260477 /nfs/dbraw/zinc/26/04/77/540260477.db2.gz FMNDPZMDQUEYMN-UHFFFAOYSA-N 1 2 361.345 2.148 20 5 FEBDLO COc1cc(C[N@H+](CC(N)=O)CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000046512901 540260479 /nfs/dbraw/zinc/26/04/79/540260479.db2.gz FMNDPZMDQUEYMN-UHFFFAOYSA-N 1 2 361.345 2.148 20 5 FEBDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000047796729 540329309 /nfs/dbraw/zinc/32/93/09/540329309.db2.gz FVDWXPSOYHZKPS-AWEZNQCLSA-N 1 2 365.386 2.172 20 5 FEBDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000047796729 540329312 /nfs/dbraw/zinc/32/93/12/540329312.db2.gz FVDWXPSOYHZKPS-AWEZNQCLSA-N 1 2 365.386 2.172 20 5 FEBDLO CCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000051001843 540418982 /nfs/dbraw/zinc/41/89/82/540418982.db2.gz ZDRPNCGLDHMJHQ-CQSZACIVSA-N 1 2 362.430 2.080 20 5 FEBDLO CCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000051001843 540418986 /nfs/dbraw/zinc/41/89/86/540418986.db2.gz ZDRPNCGLDHMJHQ-CQSZACIVSA-N 1 2 362.430 2.080 20 5 FEBDLO Cc1nn(C)c(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000052219354 540459041 /nfs/dbraw/zinc/45/90/41/540459041.db2.gz XJJQLBWMFJXJIO-VXGBXAGGSA-N 1 2 360.418 2.257 20 5 FEBDLO CCN(CC)C(=O)CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000053261697 540520878 /nfs/dbraw/zinc/52/08/78/540520878.db2.gz ABYMQVLOVGZFTM-UHFFFAOYSA-N 1 2 373.413 2.159 20 5 FEBDLO COc1ccccc1[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1[nH+]ccn1C ZINC000053341574 540527048 /nfs/dbraw/zinc/52/70/48/540527048.db2.gz VGRNUWHFKCWLTL-HNNXBMFYSA-N 1 2 356.338 2.449 20 5 FEBDLO Cc1cc(N2CCC(CC(N)=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057827350 540818022 /nfs/dbraw/zinc/81/80/22/540818022.db2.gz ZDQCOXRKEGGELO-UHFFFAOYSA-N 1 2 355.398 2.452 20 5 FEBDLO O=C(NCCNc1cccc[nH+]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000063092141 541155772 /nfs/dbraw/zinc/15/57/72/541155772.db2.gz MQCDPBYADBSVFW-UHFFFAOYSA-N 1 2 355.398 2.432 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cn2ccccc2[nH+]1 ZINC000065685069 541252971 /nfs/dbraw/zinc/25/29/71/541252971.db2.gz HULWCCNDGUOSHV-UHFFFAOYSA-N 1 2 360.395 2.283 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1scnc1C ZINC000066563571 541336700 /nfs/dbraw/zinc/33/67/00/541336700.db2.gz MOAYJCMWUBPUAU-UHFFFAOYSA-N 1 2 350.400 2.439 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1scnc1C ZINC000066563571 541336703 /nfs/dbraw/zinc/33/67/03/541336703.db2.gz MOAYJCMWUBPUAU-UHFFFAOYSA-N 1 2 350.400 2.439 20 5 FEBDLO O=C(NCC[NH+]1Cc2ccccc2C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000067743867 541507484 /nfs/dbraw/zinc/50/74/84/541507484.db2.gz PPDZNSQWRQQOLQ-UHFFFAOYSA-N 1 2 351.366 2.217 20 5 FEBDLO O=C(NCCCCNc1cccc[nH+]1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000068422575 541589919 /nfs/dbraw/zinc/58/99/19/541589919.db2.gz RVFZBNFFQRPTRP-UHFFFAOYSA-N 1 2 354.370 2.488 20 5 FEBDLO COC(=O)c1cc(C[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])oc1C ZINC000073105478 541919159 /nfs/dbraw/zinc/91/91/59/541919159.db2.gz DTJRBPNEFDQZKM-UHFFFAOYSA-N 1 2 361.354 2.014 20 5 FEBDLO COC(=O)c1cc(C[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])oc1C ZINC000073105478 541919162 /nfs/dbraw/zinc/91/91/62/541919162.db2.gz DTJRBPNEFDQZKM-UHFFFAOYSA-N 1 2 361.354 2.014 20 5 FEBDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000075469919 542180773 /nfs/dbraw/zinc/18/07/73/542180773.db2.gz UQHFYSQOBOADNQ-CQSZACIVSA-N 1 2 371.441 2.180 20 5 FEBDLO O=C(c1ccc2[nH+]ccn2c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000075471343 542180903 /nfs/dbraw/zinc/18/09/03/542180903.db2.gz FCKYDSSBUKNCKK-UHFFFAOYSA-N 1 2 351.366 2.205 20 5 FEBDLO Cc1cc(N(C)[C@@H](C)CS(C)(=O)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000078251010 542449896 /nfs/dbraw/zinc/44/98/96/542449896.db2.gz VYSCAHZZKWPAPW-LBPRGKRZSA-N 1 2 364.427 2.230 20 5 FEBDLO COCc1cc([N+](=O)[O-])ccc1NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000080543914 542594614 /nfs/dbraw/zinc/59/46/14/542594614.db2.gz HTFCKTLIGDQDEQ-GOSISDBHSA-N 1 2 350.463 2.425 20 5 FEBDLO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)Cn1cccn1 ZINC000109119521 543314800 /nfs/dbraw/zinc/31/48/00/543314800.db2.gz WCPKPVHNTBNPMU-CYBMUJFWSA-N 1 2 354.370 2.043 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c2c(c1)COCO2 ZINC000109759511 543337560 /nfs/dbraw/zinc/33/75/60/543337560.db2.gz JQNSYGTXLLQVBJ-OCCSQVGLSA-N 1 2 362.304 2.349 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c2c(c1)COCO2 ZINC000109759511 543337563 /nfs/dbraw/zinc/33/75/63/543337563.db2.gz JQNSYGTXLLQVBJ-OCCSQVGLSA-N 1 2 362.304 2.349 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(n2ccnc2)CC1 ZINC000109794946 543338998 /nfs/dbraw/zinc/33/89/98/543338998.db2.gz AODWWJZUZIKRNX-UHFFFAOYSA-N 1 2 359.386 2.076 20 5 FEBDLO CC(C)[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000110191756 543351085 /nfs/dbraw/zinc/35/10/85/543351085.db2.gz AYFIXHAVNOOJHY-CQSZACIVSA-N 1 2 355.822 2.335 20 5 FEBDLO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1[nH]cc[nH+]1 ZINC000114337135 543510230 /nfs/dbraw/zinc/51/02/30/543510230.db2.gz RUHVCWXLZPGYIB-UHFFFAOYSA-N 1 2 357.292 2.455 20 5 FEBDLO Cn1c[nH+]cc1CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000121448429 543694726 /nfs/dbraw/zinc/69/47/26/543694726.db2.gz LHHFHMGUTUGKDQ-UHFFFAOYSA-N 1 2 357.395 2.424 20 5 FEBDLO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000126977224 543966304 /nfs/dbraw/zinc/96/63/04/543966304.db2.gz JLJSKHKWNOIZHS-UHFFFAOYSA-N 1 2 371.441 2.032 20 5 FEBDLO Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000126977224 543966307 /nfs/dbraw/zinc/96/63/07/543966307.db2.gz JLJSKHKWNOIZHS-UHFFFAOYSA-N 1 2 371.441 2.032 20 5 FEBDLO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000131270371 544183040 /nfs/dbraw/zinc/18/30/40/544183040.db2.gz RQZCJIABAKFNHW-LLVKDONJSA-N 1 2 361.851 2.401 20 5 FEBDLO C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000131270371 544183043 /nfs/dbraw/zinc/18/30/43/544183043.db2.gz RQZCJIABAKFNHW-LLVKDONJSA-N 1 2 361.851 2.401 20 5 FEBDLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000131289350 544184019 /nfs/dbraw/zinc/18/40/19/544184019.db2.gz FUYHXTLHNLTXST-LBPRGKRZSA-N 1 2 366.381 2.265 20 5 FEBDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000130978510 544172894 /nfs/dbraw/zinc/17/28/94/544172894.db2.gz ONNCDMABYOKEGR-UHFFFAOYSA-N 1 2 369.381 2.219 20 5 FEBDLO COc1cc(C(=O)NCc2[nH+]ccn2CC(C)C)c([N+](=O)[O-])cc1OC ZINC000131045109 544175530 /nfs/dbraw/zinc/17/55/30/544175530.db2.gz CTOFGCDRWCLWAW-UHFFFAOYSA-N 1 2 362.386 2.395 20 5 FEBDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000135586685 544355063 /nfs/dbraw/zinc/35/50/63/544355063.db2.gz PXKIIPLCJHIRNI-QGZVFWFLSA-N 1 2 369.425 2.227 20 5 FEBDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000135586685 544355064 /nfs/dbraw/zinc/35/50/64/544355064.db2.gz PXKIIPLCJHIRNI-QGZVFWFLSA-N 1 2 369.425 2.227 20 5 FEBDLO Cc1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000151497809 544548675 /nfs/dbraw/zinc/54/86/75/544548675.db2.gz WHNKZRSKAISSSE-BBRMVZONSA-N 1 2 371.397 2.148 20 5 FEBDLO COC(=O)[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000152498457 544661809 /nfs/dbraw/zinc/66/18/09/544661809.db2.gz LHKBYGAZFJWDST-OAHLLOKOSA-N 1 2 351.403 2.409 20 5 FEBDLO COCc1cccc(CNC(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153227087 544748908 /nfs/dbraw/zinc/74/89/08/544748908.db2.gz ZSEXORIIGHWBIN-UHFFFAOYSA-N 1 2 369.421 2.416 20 5 FEBDLO COCc1cccc(CNC(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153227087 544748912 /nfs/dbraw/zinc/74/89/12/544748912.db2.gz ZSEXORIIGHWBIN-UHFFFAOYSA-N 1 2 369.421 2.416 20 5 FEBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCCOc1ccc(F)cc1 ZINC000153121269 544735879 /nfs/dbraw/zinc/73/58/79/544735879.db2.gz YQUXYRYKKRTKSU-UHFFFAOYSA-N 1 2 373.384 2.287 20 5 FEBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCCOc1ccc(F)cc1 ZINC000153121269 544735883 /nfs/dbraw/zinc/73/58/83/544735883.db2.gz YQUXYRYKKRTKSU-UHFFFAOYSA-N 1 2 373.384 2.287 20 5 FEBDLO CN(C(=O)C[N@@H+]1CC[C@H](Oc2ccncc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000154011463 544852541 /nfs/dbraw/zinc/85/25/41/544852541.db2.gz YSBUSVYCQXUDMC-KRWDZBQOSA-N 1 2 356.382 2.106 20 5 FEBDLO CN(C(=O)C[N@H+]1CC[C@H](Oc2ccncc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000154011463 544852547 /nfs/dbraw/zinc/85/25/47/544852547.db2.gz YSBUSVYCQXUDMC-KRWDZBQOSA-N 1 2 356.382 2.106 20 5 FEBDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1C(F)(F)F)CC2 ZINC000154158341 544871068 /nfs/dbraw/zinc/87/10/68/544871068.db2.gz RWIDREVJLWXTLK-UHFFFAOYSA-N 1 2 368.315 2.266 20 5 FEBDLO Cn1nc2c(cc1=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1C(F)(F)F)CC2 ZINC000154158341 544871070 /nfs/dbraw/zinc/87/10/70/544871070.db2.gz RWIDREVJLWXTLK-UHFFFAOYSA-N 1 2 368.315 2.266 20 5 FEBDLO Cn1cc(C[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000155184670 544999086 /nfs/dbraw/zinc/99/90/86/544999086.db2.gz ITVRORFXJZMQQY-UHFFFAOYSA-N 1 2 371.319 2.078 20 5 FEBDLO Cn1cc(C[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000155184670 544999089 /nfs/dbraw/zinc/99/90/89/544999089.db2.gz ITVRORFXJZMQQY-UHFFFAOYSA-N 1 2 371.319 2.078 20 5 FEBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000178949119 327618295 /nfs/dbraw/zinc/61/82/95/327618295.db2.gz DZYBXJUSHNQPIQ-UHFFFAOYSA-N 1 2 364.427 2.001 20 5 FEBDLO Cc1c(NC(=O)CC[N@H+]2CCN(CC(C)C)C(=O)C2)cccc1[N+](=O)[O-] ZINC000187102390 328002249 /nfs/dbraw/zinc/00/22/49/328002249.db2.gz ZSNOFEGNSHBMFK-UHFFFAOYSA-N 1 2 362.430 2.032 20 5 FEBDLO Cc1c(NC(=O)CC[N@@H+]2CCN(CC(C)C)C(=O)C2)cccc1[N+](=O)[O-] ZINC000187102390 328002250 /nfs/dbraw/zinc/00/22/50/328002250.db2.gz ZSNOFEGNSHBMFK-UHFFFAOYSA-N 1 2 362.430 2.032 20 5 FEBDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000188616331 328099134 /nfs/dbraw/zinc/09/91/34/328099134.db2.gz YHJKCXHYTHWZEC-XHDPSFHLSA-N 1 2 362.407 2.432 20 5 FEBDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000188616331 328099135 /nfs/dbraw/zinc/09/91/35/328099135.db2.gz YHJKCXHYTHWZEC-XHDPSFHLSA-N 1 2 362.407 2.432 20 5 FEBDLO C[C@H]([C@H](C)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000080118614 325118235 /nfs/dbraw/zinc/11/82/35/325118235.db2.gz DUZUNAUFFLQASW-UONOGXRCSA-N 1 2 364.446 2.238 20 5 FEBDLO O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000081010201 325152842 /nfs/dbraw/zinc/15/28/42/325152842.db2.gz FTJQZYAKQAPAFC-UHFFFAOYSA-N 1 2 357.410 2.497 20 5 FEBDLO C[NH+]1CCN(Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2)CC1 ZINC000092546865 325418964 /nfs/dbraw/zinc/41/89/64/325418964.db2.gz ZZXYQLUEYPXTPE-UHFFFAOYSA-N 1 2 370.409 2.300 20 5 FEBDLO Cn1cc[nH+]c1CN1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000108952424 325654629 /nfs/dbraw/zinc/65/46/29/325654629.db2.gz HJSNYESRRVCSAR-UHFFFAOYSA-N 1 2 352.398 2.199 20 5 FEBDLO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000117792050 326071170 /nfs/dbraw/zinc/07/11/70/326071170.db2.gz IXWBTJBHPVERGN-RYUDHWBXSA-N 1 2 355.822 2.016 20 5 FEBDLO Cc1ccc(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000118787484 326102301 /nfs/dbraw/zinc/10/23/01/326102301.db2.gz VHNSDXAUECCLNJ-UHFFFAOYSA-N 1 2 374.401 2.076 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000120860244 326294219 /nfs/dbraw/zinc/29/42/19/326294219.db2.gz FJKGKBXTMLGDRR-UHFFFAOYSA-N 1 2 367.365 2.114 20 5 FEBDLO Cn1cc[nH+]c1CC1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000121917737 326375631 /nfs/dbraw/zinc/37/56/31/326375631.db2.gz NTMYVXCKESHOPI-UHFFFAOYSA-N 1 2 368.397 2.300 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)CCCn1cc[nH+]c1 ZINC000134544012 326627625 /nfs/dbraw/zinc/62/76/25/326627625.db2.gz KDLZNJDANCRXNT-UHFFFAOYSA-N 1 2 352.416 2.119 20 5 FEBDLO C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000151277772 326678568 /nfs/dbraw/zinc/67/85/68/326678568.db2.gz QJEKCRPJFLYQEK-RISCZKNCSA-N 1 2 368.390 2.202 20 5 FEBDLO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000152439814 326707334 /nfs/dbraw/zinc/70/73/34/326707334.db2.gz PKEDPRXKZXLDQI-CQSZACIVSA-N 1 2 356.382 2.154 20 5 FEBDLO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000161993089 327014170 /nfs/dbraw/zinc/01/41/70/327014170.db2.gz MBELIPNNGIONFU-UHFFFAOYSA-N 1 2 373.394 2.040 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCOCC2(C)C)c1 ZINC000170864790 327103720 /nfs/dbraw/zinc/10/37/20/327103720.db2.gz YQFWQSOORBEDDL-UHFFFAOYSA-N 1 2 353.444 2.157 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCOCC2(C)C)c1 ZINC000170864790 327103721 /nfs/dbraw/zinc/10/37/21/327103721.db2.gz YQFWQSOORBEDDL-UHFFFAOYSA-N 1 2 353.444 2.157 20 5 FEBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000170892319 327105575 /nfs/dbraw/zinc/10/55/75/327105575.db2.gz BCBKXSKOTRFLOK-UHFFFAOYSA-N 1 2 365.349 2.353 20 5 FEBDLO CCc1n[nH]c(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000171916941 327170142 /nfs/dbraw/zinc/17/01/42/327170142.db2.gz RGTVKBNUQPVQTL-RMKNXTFCSA-N 1 2 369.425 2.352 20 5 FEBDLO CCc1[nH]nc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000171916941 327170144 /nfs/dbraw/zinc/17/01/44/327170144.db2.gz RGTVKBNUQPVQTL-RMKNXTFCSA-N 1 2 369.425 2.352 20 5 FEBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nnc2ccccn21 ZINC000172613372 327211585 /nfs/dbraw/zinc/21/15/85/327211585.db2.gz XJVVWULGMQXEJA-NEPJUHHUSA-N 1 2 354.370 2.315 20 5 FEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172765885 327217940 /nfs/dbraw/zinc/21/79/40/327217940.db2.gz FVCAOOFLMCMSAO-ZFWWWQNUSA-N 1 2 365.455 2.009 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[NH+]2CCN(Cc3c(F)cccc3Cl)CC2)c1 ZINC000174810418 327352689 /nfs/dbraw/zinc/35/26/89/327352689.db2.gz LOIXWNSEVAVZST-UHFFFAOYSA-N 1 2 367.812 2.402 20 5 FEBDLO O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000247665895 328698597 /nfs/dbraw/zinc/69/85/97/328698597.db2.gz YAZLRINLJWILNG-JJRVBVJISA-N 1 2 356.382 2.468 20 5 FEBDLO C[C@H]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000248431171 328718068 /nfs/dbraw/zinc/71/80/68/328718068.db2.gz SQNVNZVYXJJURW-XJKSGUPXSA-N 1 2 364.427 2.204 20 5 FEBDLO Cc1nn(C)c(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000264187851 328998019 /nfs/dbraw/zinc/99/80/19/328998019.db2.gz FYAQMMMJFWXOFP-CYBMUJFWSA-N 1 2 373.413 2.282 20 5 FEBDLO C[C@@H](c1cccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1)[NH+]1CCOCC1 ZINC000264303336 329008538 /nfs/dbraw/zinc/00/85/38/329008538.db2.gz XWHVSXFWPPGAOR-AWEZNQCLSA-N 1 2 373.413 2.213 20 5 FEBDLO CCC[C@](C)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(=O)OC ZINC000264618970 329041625 /nfs/dbraw/zinc/04/16/25/329041625.db2.gz MURQRUCBUBIZJG-KRWDZBQOSA-N 1 2 367.402 2.253 20 5 FEBDLO CCc1cc(N[C@H](C)CS(C)(=O)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000264984882 329080656 /nfs/dbraw/zinc/08/06/56/329080656.db2.gz RXBVIBZQYHWIFN-LLVKDONJSA-N 1 2 364.427 2.459 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000266050304 329185333 /nfs/dbraw/zinc/18/53/33/329185333.db2.gz CSTQHYPHMRXAQX-UHFFFAOYSA-N 1 2 368.397 2.266 20 5 FEBDLO COC(=O)c1cc(N2CC[NH+](Cc3ccccn3)CC2)cc(C)c1[N+](=O)[O-] ZINC000267983086 329373890 /nfs/dbraw/zinc/37/38/90/329373890.db2.gz PEVQXPAUVVNPPO-UHFFFAOYSA-N 1 2 370.409 2.407 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000272489163 329785123 /nfs/dbraw/zinc/78/51/23/329785123.db2.gz DNAKEQHHBRTLBT-OCCSQVGLSA-N 1 2 358.320 2.321 20 5 FEBDLO Cc1cc(N(C)CC2(O)CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000275386719 330042839 /nfs/dbraw/zinc/04/28/39/330042839.db2.gz AHSQIDSBMNAYIJ-UHFFFAOYSA-N 1 2 358.398 2.338 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000275520398 330058604 /nfs/dbraw/zinc/05/86/04/330058604.db2.gz JNBPMLYEJLAGJX-OAHLLOKOSA-N 1 2 370.413 2.431 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000275520398 330058606 /nfs/dbraw/zinc/05/86/06/330058606.db2.gz JNBPMLYEJLAGJX-OAHLLOKOSA-N 1 2 370.413 2.431 20 5 FEBDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000275584316 330066824 /nfs/dbraw/zinc/06/68/24/330066824.db2.gz FWRYQPQCWHAHEW-ZGRWHYIRSA-N 1 2 367.409 2.131 20 5 FEBDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000275584316 330066826 /nfs/dbraw/zinc/06/68/26/330066826.db2.gz FWRYQPQCWHAHEW-ZGRWHYIRSA-N 1 2 367.409 2.131 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000275705639 330079764 /nfs/dbraw/zinc/07/97/64/330079764.db2.gz NMANNNGUIQYRMW-MRXNPFEDSA-N 1 2 362.430 2.478 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000275705639 330079766 /nfs/dbraw/zinc/07/97/66/330079766.db2.gz NMANNNGUIQYRMW-MRXNPFEDSA-N 1 2 362.430 2.478 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(O)(C(F)F)CC3)o2)cc1 ZINC000426206172 330269609 /nfs/dbraw/zinc/26/96/09/330269609.db2.gz PAIIIJGFMDOGJF-UHFFFAOYSA-N 1 2 354.313 2.237 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(O)(C(F)F)CC1 ZINC000426239322 330271353 /nfs/dbraw/zinc/27/13/53/330271353.db2.gz OITWDZNAXUYTNL-JTQLQIEISA-N 1 2 373.356 2.022 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000157861789 545792335 /nfs/dbraw/zinc/79/23/35/545792335.db2.gz DNZWHTYKCWATDP-HOCLYGCPSA-N 1 2 364.423 2.470 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000157861789 545792340 /nfs/dbraw/zinc/79/23/40/545792340.db2.gz DNZWHTYKCWATDP-HOCLYGCPSA-N 1 2 364.423 2.470 20 5 FEBDLO O=C(NCCc1cn2ccccc2[nH+]1)NCCc1cccc([N+](=O)[O-])c1 ZINC000159466495 545956752 /nfs/dbraw/zinc/95/67/52/545956752.db2.gz YPPDJJNLWBHYPF-UHFFFAOYSA-N 1 2 353.382 2.327 20 5 FEBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)NCCc1cccc([N+](=O)[O-])c1 ZINC000159607358 545966446 /nfs/dbraw/zinc/96/64/46/545966446.db2.gz JIEOMVGRRVLCIZ-UHFFFAOYSA-N 1 2 357.414 2.212 20 5 FEBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000159767358 545979642 /nfs/dbraw/zinc/97/96/42/545979642.db2.gz YRXWYGGOMQBYSO-MRXNPFEDSA-N 1 2 363.801 2.483 20 5 FEBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000159767358 545979645 /nfs/dbraw/zinc/97/96/45/545979645.db2.gz YRXWYGGOMQBYSO-MRXNPFEDSA-N 1 2 363.801 2.483 20 5 FEBDLO Nc1c(C(=O)Nc2ccccc2C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000176078258 546402598 /nfs/dbraw/zinc/40/25/98/546402598.db2.gz IKGVEOMVKKHYHG-UHFFFAOYSA-N 1 2 356.382 2.262 20 5 FEBDLO C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000480390348 561208245 /nfs/dbraw/zinc/20/82/45/561208245.db2.gz VJATZCJCZXWRID-AUUYWEPGSA-N 1 2 361.442 2.431 20 5 FEBDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000481499363 561234303 /nfs/dbraw/zinc/23/43/03/561234303.db2.gz MKGLPANFHJRBQA-DOMZBBRYSA-N 1 2 352.387 2.256 20 5 FEBDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000481499363 561234304 /nfs/dbraw/zinc/23/43/04/561234304.db2.gz MKGLPANFHJRBQA-DOMZBBRYSA-N 1 2 352.387 2.256 20 5 FEBDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000181714166 547366276 /nfs/dbraw/zinc/36/62/76/547366276.db2.gz UOMZBEASGGDLLO-UHFFFAOYSA-N 1 2 352.416 2.067 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000182012337 547422730 /nfs/dbraw/zinc/42/27/30/547422730.db2.gz GWEZGSCPAKAFBT-CJNGLKHVSA-N 1 2 364.423 2.470 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000182012337 547422734 /nfs/dbraw/zinc/42/27/34/547422734.db2.gz GWEZGSCPAKAFBT-CJNGLKHVSA-N 1 2 364.423 2.470 20 5 FEBDLO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000185136047 547938935 /nfs/dbraw/zinc/93/89/35/547938935.db2.gz LBKVEHBQUWUYLU-DGCLKSJQSA-N 1 2 364.402 2.366 20 5 FEBDLO COC(=O)c1cc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)c(C)c([N+](=O)[O-])c1 ZINC000486883623 561358956 /nfs/dbraw/zinc/35/89/56/561358956.db2.gz RXYIINIYGWJJAW-LBPRGKRZSA-N 1 2 373.369 2.023 20 5 FEBDLO CN(C)c1ccc2cc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)ccc2[nH+]1 ZINC000195267729 548608293 /nfs/dbraw/zinc/60/82/93/548608293.db2.gz ZYXTVYNLLNLGGT-UHFFFAOYSA-N 1 2 367.365 2.009 20 5 FEBDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccccc1 ZINC000245615827 548957888 /nfs/dbraw/zinc/95/78/88/548957888.db2.gz CVWJFWCXIUGRKA-SWLSCSKDSA-N 1 2 367.452 2.380 20 5 FEBDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccccc1 ZINC000245615827 548957891 /nfs/dbraw/zinc/95/78/91/548957891.db2.gz CVWJFWCXIUGRKA-SWLSCSKDSA-N 1 2 367.452 2.380 20 5 FEBDLO CN1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000249832745 549632412 /nfs/dbraw/zinc/63/24/12/549632412.db2.gz PUXLQLUTHTVPGG-QUCCMNQESA-N 1 2 371.437 2.323 20 5 FEBDLO CN1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000249832745 549632418 /nfs/dbraw/zinc/63/24/18/549632418.db2.gz PUXLQLUTHTVPGG-QUCCMNQESA-N 1 2 371.437 2.323 20 5 FEBDLO CCc1n[nH]c(C(=O)N(C)[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1[N+](=O)[O-] ZINC000492537913 561451731 /nfs/dbraw/zinc/45/17/31/561451731.db2.gz KEMOKHIQWQVVRM-CQSZACIVSA-N 1 2 354.370 2.465 20 5 FEBDLO CCOc1cc(C[N@@H+]2CCSC[C@@H]2CC(=O)OC)ccc1[N+](=O)[O-] ZINC000492649454 561452172 /nfs/dbraw/zinc/45/21/72/561452172.db2.gz IBVSYXIGGRRGER-ZDUSSCGKSA-N 1 2 354.428 2.474 20 5 FEBDLO CCOc1cc(C[N@H+]2CCSC[C@@H]2CC(=O)OC)ccc1[N+](=O)[O-] ZINC000492649454 561452173 /nfs/dbraw/zinc/45/21/73/561452173.db2.gz IBVSYXIGGRRGER-ZDUSSCGKSA-N 1 2 354.428 2.474 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc([N+](=O)[O-])c1F ZINC000271403740 550372419 /nfs/dbraw/zinc/37/24/19/550372419.db2.gz JCCYJDPBFUKHPS-NSHDSACASA-N 1 2 368.390 2.334 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)Cc2[nH+]ccn2C)c1 ZINC000272438577 550448468 /nfs/dbraw/zinc/44/84/68/550448468.db2.gz KTFBSYYRZOZKAK-UHFFFAOYSA-N 1 2 358.807 2.111 20 5 FEBDLO Cc1nc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000273324526 550494430 /nfs/dbraw/zinc/49/44/30/550494430.db2.gz RUGKFOGMEUXSGX-JTQLQIEISA-N 1 2 355.441 2.484 20 5 FEBDLO Cc1nc(N2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)cc[nH+]1 ZINC000274131675 550524432 /nfs/dbraw/zinc/52/44/32/550524432.db2.gz CQOSAJCFROVXCK-UHFFFAOYSA-N 1 2 367.365 2.402 20 5 FEBDLO CC[C@H]1C[N@H+](CCNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000494686776 561474284 /nfs/dbraw/zinc/47/42/84/561474284.db2.gz SEZVTIURROBJHS-BBRMVZONSA-N 1 2 350.419 2.066 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000494686776 561474285 /nfs/dbraw/zinc/47/42/85/561474285.db2.gz SEZVTIURROBJHS-BBRMVZONSA-N 1 2 350.419 2.066 20 5 FEBDLO COc1ccc(CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)cc1[N+](=O)[O-] ZINC000277314563 550655436 /nfs/dbraw/zinc/65/54/36/550655436.db2.gz DAOWMZSJQLNAIP-AWEZNQCLSA-N 1 2 373.413 2.357 20 5 FEBDLO COc1ccc(CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)cc1[N+](=O)[O-] ZINC000277314563 550655438 /nfs/dbraw/zinc/65/54/38/550655438.db2.gz DAOWMZSJQLNAIP-AWEZNQCLSA-N 1 2 373.413 2.357 20 5 FEBDLO O=C(NCC1([NH+]2CCOCC2)CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000277446294 550671542 /nfs/dbraw/zinc/67/15/42/550671542.db2.gz KBFFCASBAIWARD-UHFFFAOYSA-N 1 2 374.441 2.134 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]c(NCc3ccc[nH+]c3N3CCOCC3)nc2c1 ZINC000277697655 550703025 /nfs/dbraw/zinc/70/30/25/550703025.db2.gz DWOPDAKLMCCWCW-UHFFFAOYSA-N 1 2 354.370 2.315 20 5 FEBDLO O=C(NCC1([NH+]2CCOCC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000277856215 550721969 /nfs/dbraw/zinc/72/19/69/550721969.db2.gz ACTSKUDVMJSNPE-UHFFFAOYSA-N 1 2 354.794 2.235 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000278661220 550809141 /nfs/dbraw/zinc/80/91/41/550809141.db2.gz AAXWGZIJSBEMPC-GJZGRUSLSA-N 1 2 364.446 2.326 20 5 FEBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])C1CC[NH+](CC(F)F)CC1 ZINC000280713340 551024181 /nfs/dbraw/zinc/02/41/81/551024181.db2.gz GWDUKFCZVYQFKS-UHFFFAOYSA-N 1 2 356.373 2.100 20 5 FEBDLO Cc1ccnc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC000280765898 551029803 /nfs/dbraw/zinc/02/98/03/551029803.db2.gz NWAWWEQUSQETPP-SJORKVTESA-N 1 2 354.410 2.388 20 5 FEBDLO Cc1ccnc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC000280765898 551029804 /nfs/dbraw/zinc/02/98/04/551029804.db2.gz NWAWWEQUSQETPP-SJORKVTESA-N 1 2 354.410 2.388 20 5 FEBDLO Cn1nccc1[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000281380474 551090498 /nfs/dbraw/zinc/09/04/98/551090498.db2.gz MFZXWWCAGAWSGG-GOSISDBHSA-N 1 2 369.425 2.445 20 5 FEBDLO Cn1nccc1[C@H]1CCCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000281380474 551090499 /nfs/dbraw/zinc/09/04/99/551090499.db2.gz MFZXWWCAGAWSGG-GOSISDBHSA-N 1 2 369.425 2.445 20 5 FEBDLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000282241694 551199855 /nfs/dbraw/zinc/19/98/55/551199855.db2.gz ANUQVTZOZOUNQE-HNNXBMFYSA-N 1 2 350.396 2.474 20 5 FEBDLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000282241694 551199857 /nfs/dbraw/zinc/19/98/57/551199857.db2.gz ANUQVTZOZOUNQE-HNNXBMFYSA-N 1 2 350.396 2.474 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)cc1F ZINC000282475537 551234185 /nfs/dbraw/zinc/23/41/85/551234185.db2.gz LCMHHYVMLNHQBN-UHFFFAOYSA-N 1 2 371.434 2.124 20 5 FEBDLO CCOC[C@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284893255 551660603 /nfs/dbraw/zinc/66/06/03/551660603.db2.gz UKTVXNOKQREJCG-SNVBAGLBSA-N 1 2 359.220 2.113 20 5 FEBDLO CCOC[C@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284893255 551660605 /nfs/dbraw/zinc/66/06/05/551660605.db2.gz UKTVXNOKQREJCG-SNVBAGLBSA-N 1 2 359.220 2.113 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000285596941 551780509 /nfs/dbraw/zinc/78/05/09/551780509.db2.gz JADSVOIVLTULRA-YPMHNXCESA-N 1 2 352.366 2.061 20 5 FEBDLO CCc1cc(NCCn2ccccc2=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000498931288 561538325 /nfs/dbraw/zinc/53/83/25/561538325.db2.gz CWMPBEFHPDQAJH-UHFFFAOYSA-N 1 2 365.393 2.310 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000286299914 551871445 /nfs/dbraw/zinc/87/14/45/551871445.db2.gz JLGGWJXTTNLVSH-WDEREUQCSA-N 1 2 360.336 2.308 20 5 FEBDLO C[C@H]1C[NH+]=C(N2CCN(c3ncnc4sc([N+](=O)[O-])cc43)CC2)S1 ZINC000287366224 551994952 /nfs/dbraw/zinc/99/49/52/551994952.db2.gz QDTDEHBHHOSDFL-VIFPVBQESA-N 1 2 364.456 2.213 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ncnn3-c3ccccc3)C2)nc1 ZINC000499537562 561553269 /nfs/dbraw/zinc/55/32/69/561553269.db2.gz NZOXWWHYWMDXRE-CQSZACIVSA-N 1 2 365.397 2.257 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ncnn3-c3ccccc3)C2)nc1 ZINC000499537562 561553270 /nfs/dbraw/zinc/55/32/70/561553270.db2.gz NZOXWWHYWMDXRE-CQSZACIVSA-N 1 2 365.397 2.257 20 5 FEBDLO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000288632062 552188528 /nfs/dbraw/zinc/18/85/28/552188528.db2.gz BBWBKGZIYGEJSY-ZDUSSCGKSA-N 1 2 366.393 2.371 20 5 FEBDLO CCS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000289480316 552328637 /nfs/dbraw/zinc/32/86/37/552328637.db2.gz QJKGFNQNTZATJT-UHFFFAOYSA-N 1 2 361.851 2.152 20 5 FEBDLO C[C@]1(O)CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289748550 552371835 /nfs/dbraw/zinc/37/18/35/552371835.db2.gz IQVLLAZFGFVEQP-LBPRGKRZSA-N 1 2 362.167 2.156 20 5 FEBDLO C[C@]1(O)CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289748550 552371837 /nfs/dbraw/zinc/37/18/37/552371837.db2.gz IQVLLAZFGFVEQP-LBPRGKRZSA-N 1 2 362.167 2.156 20 5 FEBDLO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCn2c[nH+]cc2C1 ZINC000291010511 552575882 /nfs/dbraw/zinc/57/58/82/552575882.db2.gz CLGYXVPVCHCRMD-UHFFFAOYSA-N 1 2 355.398 2.050 20 5 FEBDLO Cc1cc(N[C@H]2CCS(=O)(=O)[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000292866170 552766522 /nfs/dbraw/zinc/76/65/22/552766522.db2.gz XKQNNELDFMGZEY-FZMZJTMJSA-N 1 2 362.411 2.348 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1(C)C ZINC000295202378 552969441 /nfs/dbraw/zinc/96/94/41/552969441.db2.gz FKSJMGWVJBVUDU-ZDUSSCGKSA-N 1 2 368.390 2.239 20 5 FEBDLO COCCn1cc(CN[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000502345577 561616651 /nfs/dbraw/zinc/61/66/51/561616651.db2.gz KXEOZZKVXFBTHT-QGZVFWFLSA-N 1 2 370.413 2.050 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296066518 553099312 /nfs/dbraw/zinc/09/93/12/553099312.db2.gz XOTZMICLZACQJC-HOCLYGCPSA-N 1 2 360.414 2.151 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](OC)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000296278985 553134189 /nfs/dbraw/zinc/13/41/89/553134189.db2.gz YWJUAUIDFHXMTP-HNNXBMFYSA-N 1 2 351.403 2.289 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](OC)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000296278985 553134191 /nfs/dbraw/zinc/13/41/91/553134191.db2.gz YWJUAUIDFHXMTP-HNNXBMFYSA-N 1 2 351.403 2.289 20 5 FEBDLO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000296582913 553183010 /nfs/dbraw/zinc/18/30/10/553183010.db2.gz DXJRGUUZHYTKEX-VWLOTQADSA-N 1 2 368.455 2.179 20 5 FEBDLO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000298640404 553453098 /nfs/dbraw/zinc/45/30/98/553453098.db2.gz KIFBCAASIWGOFM-UHFFFAOYSA-N 1 2 361.423 2.493 20 5 FEBDLO COc1ccc(CNC(=O)NCc2ccc(N(C)C)[nH+]c2)cc1[N+](=O)[O-] ZINC000298912203 553488524 /nfs/dbraw/zinc/48/85/24/553488524.db2.gz DIIKOLQGJQPWMC-UHFFFAOYSA-N 1 2 359.386 2.064 20 5 FEBDLO Cc1cc(N2C[C@@H](C(N)=O)CC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301110516 553622656 /nfs/dbraw/zinc/62/26/56/553622656.db2.gz MXZGYLHVSSVNFR-OCCSQVGLSA-N 1 2 355.398 2.450 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000301145706 553626089 /nfs/dbraw/zinc/62/60/89/553626089.db2.gz AQHCTFLECZRIQY-UHFFFAOYSA-N 1 2 360.458 2.428 20 5 FEBDLO Nc1nc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)[nH+]c2ccccc12 ZINC000301769584 553678049 /nfs/dbraw/zinc/67/80/49/553678049.db2.gz IQDHIEHFGXJUKL-UHFFFAOYSA-N 1 2 350.382 2.447 20 5 FEBDLO COc1cc(NC[C@]2([NH+]3CCOCC3)CCSC2)c(F)cc1[N+](=O)[O-] ZINC000301873213 553687497 /nfs/dbraw/zinc/68/74/97/553687497.db2.gz JKHHFGCASPWCEE-MRXNPFEDSA-N 1 2 371.434 2.362 20 5 FEBDLO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505458344 561671253 /nfs/dbraw/zinc/67/12/53/561671253.db2.gz TXSVUVAUHJJAPB-UHFFFAOYSA-N 1 2 371.393 2.063 20 5 FEBDLO O=[N+]([O-])c1ccc2c(c1NC[C@]1([NH+]3CCOCC3)CCSC1)CCN2 ZINC000302862576 553738063 /nfs/dbraw/zinc/73/80/63/553738063.db2.gz WFRMSSXTZPAXHP-QGZVFWFLSA-N 1 2 364.471 2.183 20 5 FEBDLO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000311786103 553755647 /nfs/dbraw/zinc/75/56/47/553755647.db2.gz PUDRRNZEXZOAKG-MRXNPFEDSA-N 1 2 359.430 2.433 20 5 FEBDLO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000311786103 553755648 /nfs/dbraw/zinc/75/56/48/553755648.db2.gz PUDRRNZEXZOAKG-MRXNPFEDSA-N 1 2 359.430 2.433 20 5 FEBDLO Cc1ccc(S(=O)(=O)NCCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000507508739 561731151 /nfs/dbraw/zinc/73/11/51/561731151.db2.gz YTNDMVOEGQUSRR-UHFFFAOYSA-N 1 2 360.395 2.072 20 5 FEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000330541557 554135544 /nfs/dbraw/zinc/13/55/44/554135544.db2.gz IHACERNAJBMCJH-QWRGUYRKSA-N 1 2 361.851 2.351 20 5 FEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000330541557 554135545 /nfs/dbraw/zinc/13/55/45/554135545.db2.gz IHACERNAJBMCJH-QWRGUYRKSA-N 1 2 361.851 2.351 20 5 FEBDLO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000330740722 554165041 /nfs/dbraw/zinc/16/50/41/554165041.db2.gz AWPJXAIITMMUBY-LBPRGKRZSA-N 1 2 359.423 2.277 20 5 FEBDLO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000330740722 554165043 /nfs/dbraw/zinc/16/50/43/554165043.db2.gz AWPJXAIITMMUBY-LBPRGKRZSA-N 1 2 359.423 2.277 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[S@](=O)CC1(C)C ZINC000331031811 554203993 /nfs/dbraw/zinc/20/39/93/554203993.db2.gz ZXDKPXWIFQENES-DEOSSOPVSA-N 1 2 353.444 2.075 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[S@](=O)CC1(C)C ZINC000331031811 554203997 /nfs/dbraw/zinc/20/39/97/554203997.db2.gz ZXDKPXWIFQENES-DEOSSOPVSA-N 1 2 353.444 2.075 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000332538166 554466898 /nfs/dbraw/zinc/46/68/98/554466898.db2.gz ZCTAHDWBMNDQKP-GJZGRUSLSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000332538166 554466901 /nfs/dbraw/zinc/46/69/01/554466901.db2.gz ZCTAHDWBMNDQKP-GJZGRUSLSA-N 1 2 367.471 2.459 20 5 FEBDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000510524482 561837936 /nfs/dbraw/zinc/83/79/36/561837936.db2.gz POEQVLWEDKAEDQ-UHFFFAOYSA-N 1 2 361.423 2.100 20 5 FEBDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000510524482 561837937 /nfs/dbraw/zinc/83/79/37/561837937.db2.gz POEQVLWEDKAEDQ-UHFFFAOYSA-N 1 2 361.423 2.100 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000511090969 561856524 /nfs/dbraw/zinc/85/65/24/561856524.db2.gz KJBNQBVGQUUJGX-UHFFFAOYSA-N 1 2 355.398 2.365 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000511090969 561856525 /nfs/dbraw/zinc/85/65/25/561856525.db2.gz KJBNQBVGQUUJGX-UHFFFAOYSA-N 1 2 355.398 2.365 20 5 FEBDLO Cc1ccc(Cc2noc(-c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)n2)c[nH+]1 ZINC000350022052 554754682 /nfs/dbraw/zinc/75/46/82/554754682.db2.gz VLJCULZTIXTNFL-UHFFFAOYSA-N 1 2 374.378 2.343 20 5 FEBDLO Cc1nc([N+](=O)[O-])c(-c2noc(C[N@@H+]3CCc4sccc4C3)n2)n1C ZINC000350922468 554822740 /nfs/dbraw/zinc/82/27/40/554822740.db2.gz FTGALCJVPLGFCE-UHFFFAOYSA-N 1 2 360.399 2.307 20 5 FEBDLO Cc1nc([N+](=O)[O-])c(-c2noc(C[N@H+]3CCc4sccc4C3)n2)n1C ZINC000350922468 554822741 /nfs/dbraw/zinc/82/27/41/554822741.db2.gz FTGALCJVPLGFCE-UHFFFAOYSA-N 1 2 360.399 2.307 20 5 FEBDLO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCOC[C@@H]1C1CC1 ZINC000362066556 554947518 /nfs/dbraw/zinc/94/75/18/554947518.db2.gz VXAHHCWWOONHHO-GOSISDBHSA-N 1 2 359.426 2.197 20 5 FEBDLO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCOC[C@@H]1C1CC1 ZINC000362066556 554947520 /nfs/dbraw/zinc/94/75/20/554947520.db2.gz VXAHHCWWOONHHO-GOSISDBHSA-N 1 2 359.426 2.197 20 5 FEBDLO O=C(C[NH+]1CCC(n2cncn2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000363191450 555049667 /nfs/dbraw/zinc/04/96/67/555049667.db2.gz XNRRAIQKYSTIAI-UHFFFAOYSA-N 1 2 364.793 2.115 20 5 FEBDLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000511889501 561884168 /nfs/dbraw/zinc/88/41/68/561884168.db2.gz JECFRQUIPJRURY-ZDUSSCGKSA-N 1 2 374.422 2.279 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000364628675 555357018 /nfs/dbraw/zinc/35/70/18/555357018.db2.gz DKXSNRBFECITPR-UHFFFAOYSA-N 1 2 359.386 2.145 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512824203 561916808 /nfs/dbraw/zinc/91/68/08/561916808.db2.gz PEQCHKKAQJQQSE-WDEREUQCSA-N 1 2 373.356 2.492 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000512824203 561916809 /nfs/dbraw/zinc/91/68/09/561916809.db2.gz PEQCHKKAQJQQSE-WDEREUQCSA-N 1 2 373.356 2.492 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C2 ZINC000365061656 555476444 /nfs/dbraw/zinc/47/64/44/555476444.db2.gz DNZOPWWFUQQTFU-HNNXBMFYSA-N 1 2 357.414 2.423 20 5 FEBDLO C[C@H]1CCC[C@@H](NC(=O)CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000513411872 561937321 /nfs/dbraw/zinc/93/73/21/561937321.db2.gz RACGYPDHNLLWEC-FUHWJXTLSA-N 1 2 374.485 2.407 20 5 FEBDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000513411872 561937322 /nfs/dbraw/zinc/93/73/22/561937322.db2.gz RACGYPDHNLLWEC-FUHWJXTLSA-N 1 2 374.485 2.407 20 5 FEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000365988180 555718587 /nfs/dbraw/zinc/71/85/87/555718587.db2.gz AUMRWGGPOZQRDW-DGCLKSJQSA-N 1 2 353.806 2.183 20 5 FEBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000366453094 555848349 /nfs/dbraw/zinc/84/83/49/555848349.db2.gz BKHIKCGGDGYSTF-LRDDRELGSA-N 1 2 351.359 2.273 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000366453094 555848350 /nfs/dbraw/zinc/84/83/50/555848350.db2.gz BKHIKCGGDGYSTF-LRDDRELGSA-N 1 2 351.359 2.273 20 5 FEBDLO Cn1ccnc1[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000514105083 561960692 /nfs/dbraw/zinc/96/06/92/561960692.db2.gz OPHPYHGFUHNGQZ-SFHVURJKSA-N 1 2 371.441 2.410 20 5 FEBDLO C[N@@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H](c2ccccc2)C1 ZINC000514708921 561975182 /nfs/dbraw/zinc/97/51/82/561975182.db2.gz ZFTXYDQWFWILFG-INIZCTEOSA-N 1 2 369.377 2.452 20 5 FEBDLO C[N@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H](c2ccccc2)C1 ZINC000514708921 561975183 /nfs/dbraw/zinc/97/51/83/561975183.db2.gz ZFTXYDQWFWILFG-INIZCTEOSA-N 1 2 369.377 2.452 20 5 FEBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368971449 556463225 /nfs/dbraw/zinc/46/32/25/556463225.db2.gz BQCLLCQRWCEHHX-MAZHCROVSA-N 1 2 356.382 2.336 20 5 FEBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368971449 556463226 /nfs/dbraw/zinc/46/32/26/556463226.db2.gz BQCLLCQRWCEHHX-MAZHCROVSA-N 1 2 356.382 2.336 20 5 FEBDLO Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369003136 556473480 /nfs/dbraw/zinc/47/34/80/556473480.db2.gz UJLCYYIFKYGUCB-MRXNPFEDSA-N 1 2 357.414 2.053 20 5 FEBDLO Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369003136 556473481 /nfs/dbraw/zinc/47/34/81/556473481.db2.gz UJLCYYIFKYGUCB-MRXNPFEDSA-N 1 2 357.414 2.053 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCOc2c(F)cccc2C1 ZINC000369302562 556568602 /nfs/dbraw/zinc/56/86/02/556568602.db2.gz KRRRWMODJBKEEV-AWEZNQCLSA-N 1 2 362.357 2.368 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCOc2c(F)cccc2C1 ZINC000369302562 556568604 /nfs/dbraw/zinc/56/86/04/556568604.db2.gz KRRRWMODJBKEEV-AWEZNQCLSA-N 1 2 362.357 2.368 20 5 FEBDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000369537016 556624588 /nfs/dbraw/zinc/62/45/88/556624588.db2.gz MTUGMLJPHBRAMD-KBXCAEBGSA-N 1 2 363.414 2.193 20 5 FEBDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000369537016 556624590 /nfs/dbraw/zinc/62/45/90/556624590.db2.gz MTUGMLJPHBRAMD-KBXCAEBGSA-N 1 2 363.414 2.193 20 5 FEBDLO COc1cc(CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)c([N+](=O)[O-])cc1OC ZINC000370541907 556903853 /nfs/dbraw/zinc/90/38/53/556903853.db2.gz LMPKZIONPUPOOX-GFCCVEGCSA-N 1 2 374.397 2.114 20 5 FEBDLO COc1cc(CCNC(=O)[C@@H]2CCCc3[nH]c[nH+]c32)c([N+](=O)[O-])cc1OC ZINC000370541907 556903854 /nfs/dbraw/zinc/90/38/54/556903854.db2.gz LMPKZIONPUPOOX-GFCCVEGCSA-N 1 2 374.397 2.114 20 5 FEBDLO CN(C(=O)C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000370899331 557007590 /nfs/dbraw/zinc/00/75/90/557007590.db2.gz OSVSLCYOKYDFIP-KRWDZBQOSA-N 1 2 374.441 2.035 20 5 FEBDLO CN(C(=O)C[N@H+]1CCC[C@H](N2CCCCC2=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000370899331 557007593 /nfs/dbraw/zinc/00/75/93/557007593.db2.gz OSVSLCYOKYDFIP-KRWDZBQOSA-N 1 2 374.441 2.035 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370906529 557010648 /nfs/dbraw/zinc/01/06/48/557010648.db2.gz WGRFPTWZASEUNT-CABCVRRESA-N 1 2 374.441 2.399 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370906529 557010650 /nfs/dbraw/zinc/01/06/50/557010650.db2.gz WGRFPTWZASEUNT-CABCVRRESA-N 1 2 374.441 2.399 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1c1[nH+]ccn1C ZINC000371507125 557204261 /nfs/dbraw/zinc/20/42/61/557204261.db2.gz YBKBZVIVUKYTIF-CQSZACIVSA-N 1 2 359.386 2.113 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000371666519 557257085 /nfs/dbraw/zinc/25/70/85/557257085.db2.gz VEVNPAIEZJCCND-MRXNPFEDSA-N 1 2 366.381 2.491 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000371705211 557269596 /nfs/dbraw/zinc/26/95/96/557269596.db2.gz AWTOSLPVDJWYGD-SNVBAGLBSA-N 1 2 358.324 2.381 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000371705211 557269598 /nfs/dbraw/zinc/26/95/98/557269598.db2.gz AWTOSLPVDJWYGD-SNVBAGLBSA-N 1 2 358.324 2.381 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)CCC2 ZINC000372224126 557414211 /nfs/dbraw/zinc/41/42/11/557414211.db2.gz OZUWJDNUQIAGSX-ZDUSSCGKSA-N 1 2 371.397 2.040 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000372301826 557434181 /nfs/dbraw/zinc/43/41/81/557434181.db2.gz LSAKVXOALQFKIC-GFCCVEGCSA-N 1 2 359.386 2.036 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000373802723 557762285 /nfs/dbraw/zinc/76/22/85/557762285.db2.gz AQGWMGPWWFTRHP-GLJUWKHASA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000373802723 557762288 /nfs/dbraw/zinc/76/22/88/557762288.db2.gz AQGWMGPWWFTRHP-GLJUWKHASA-N 1 2 363.414 2.192 20 5 FEBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374353734 557870301 /nfs/dbraw/zinc/87/03/01/557870301.db2.gz VZTZHVRUSDINGF-KRWDZBQOSA-N 1 2 367.409 2.351 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000374390370 557877561 /nfs/dbraw/zinc/87/75/61/557877561.db2.gz VMZDPGPXYLHEMT-MRXNPFEDSA-N 1 2 374.328 2.429 20 5 FEBDLO Cn1cc([C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c2ccccc2)cn1 ZINC000374612535 557906934 /nfs/dbraw/zinc/90/69/34/557906934.db2.gz MGMBVOBCSMEBOJ-GOSISDBHSA-N 1 2 365.393 2.306 20 5 FEBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000374780053 557930094 /nfs/dbraw/zinc/93/00/94/557930094.db2.gz QJAQHCHXYMSGIU-CQSZACIVSA-N 1 2 361.789 2.012 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)no1 ZINC000375764094 558079175 /nfs/dbraw/zinc/07/91/75/558079175.db2.gz LYJFIESSUAODPL-CYBMUJFWSA-N 1 2 359.386 2.413 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)no1 ZINC000375764094 558079176 /nfs/dbraw/zinc/07/91/76/558079176.db2.gz LYJFIESSUAODPL-CYBMUJFWSA-N 1 2 359.386 2.413 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000375935494 558102278 /nfs/dbraw/zinc/10/22/78/558102278.db2.gz WARBWAMITZEBNM-AWEZNQCLSA-N 1 2 364.427 2.038 20 5 FEBDLO O=C(CC[N@@H+]1CCNC(=O)[C@H]1c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000375964232 558106258 /nfs/dbraw/zinc/10/62/58/558106258.db2.gz WMDDJIINLGHKGF-MRXNPFEDSA-N 1 2 374.422 2.158 20 5 FEBDLO O=C(CC[N@H+]1CCNC(=O)[C@H]1c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000375964232 558106260 /nfs/dbraw/zinc/10/62/60/558106260.db2.gz WMDDJIINLGHKGF-MRXNPFEDSA-N 1 2 374.422 2.158 20 5 FEBDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@]2(CCOC2)O1 ZINC000376005902 558112859 /nfs/dbraw/zinc/11/28/59/558112859.db2.gz HZNZJMDIWFNVKI-MAUKXSAKSA-N 1 2 363.414 2.112 20 5 FEBDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@]2(CCOC2)O1 ZINC000376005902 558112860 /nfs/dbraw/zinc/11/28/60/558112860.db2.gz HZNZJMDIWFNVKI-MAUKXSAKSA-N 1 2 363.414 2.112 20 5 FEBDLO CC(=O)c1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)ccc1[N+](=O)[O-] ZINC000376089772 558125458 /nfs/dbraw/zinc/12/54/58/558125458.db2.gz XOCWQGIUVXDOST-KRWDZBQOSA-N 1 2 365.455 2.417 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000376137168 558131649 /nfs/dbraw/zinc/13/16/49/558131649.db2.gz YIDXNMWSRLIMND-GLJUWKHASA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000376137168 558131651 /nfs/dbraw/zinc/13/16/51/558131651.db2.gz YIDXNMWSRLIMND-GLJUWKHASA-N 1 2 363.414 2.192 20 5 FEBDLO CC(=O)c1cc(NC2CC[NH+](CC(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000376158383 558134794 /nfs/dbraw/zinc/13/47/94/558134794.db2.gz PANNKVKSKIACPC-UHFFFAOYSA-N 1 2 374.441 2.296 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000378260803 558514083 /nfs/dbraw/zinc/51/40/83/558514083.db2.gz IQFJFGYMUUDJMV-JTQLQIEISA-N 1 2 370.818 2.160 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000408148594 558651799 /nfs/dbraw/zinc/65/17/99/558651799.db2.gz CKTSGXHWIFKPHU-UHFFFAOYSA-N 1 2 373.862 2.415 20 5 FEBDLO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000408183974 558654447 /nfs/dbraw/zinc/65/44/47/558654447.db2.gz VQLZVCSEFBJHED-DGCLKSJQSA-N 1 2 373.862 2.496 20 5 FEBDLO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000408183974 558654451 /nfs/dbraw/zinc/65/44/51/558654451.db2.gz VQLZVCSEFBJHED-DGCLKSJQSA-N 1 2 373.862 2.496 20 5 FEBDLO Cc1cc(C)c(NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000411177228 558848869 /nfs/dbraw/zinc/84/88/69/558848869.db2.gz ISUZDEAJMZAFKZ-UHFFFAOYSA-N 1 2 356.382 2.212 20 5 FEBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccccc1C[NH+]1CCOCC1 ZINC000525330240 562246302 /nfs/dbraw/zinc/24/63/02/562246302.db2.gz KNKAQEVLOIPLFE-UHFFFAOYSA-N 1 2 355.394 2.357 20 5 FEBDLO Cc1[nH+]c2cc(NC(=O)C(=O)NCc3ccccc3[N+](=O)[O-])ccc2n1C ZINC000525779936 562254876 /nfs/dbraw/zinc/25/48/76/562254876.db2.gz YQBDOKWFYSFFOA-UHFFFAOYSA-N 1 2 367.365 2.045 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCCc2c(cnn2C)C1 ZINC000411837724 558973518 /nfs/dbraw/zinc/97/35/18/558973518.db2.gz ARTRVPIFCAJJLK-LBPRGKRZSA-N 1 2 373.413 2.112 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCCc2c(cnn2C)C1 ZINC000411837724 558973521 /nfs/dbraw/zinc/97/35/21/558973521.db2.gz ARTRVPIFCAJJLK-LBPRGKRZSA-N 1 2 373.413 2.112 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412339098 559028993 /nfs/dbraw/zinc/02/89/93/559028993.db2.gz OYWZAHJUGKNMKS-XDKFSHSGSA-N 1 2 359.426 2.020 20 5 FEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412371197 559031428 /nfs/dbraw/zinc/03/14/28/559031428.db2.gz YRSBJEDRQLGGDO-BVPBIZIASA-N 1 2 359.426 2.020 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCO[C@@H](C2CCC2)C1 ZINC000412451469 559036514 /nfs/dbraw/zinc/03/65/14/559036514.db2.gz XETKHKKXQPDQBB-QGZVFWFLSA-N 1 2 356.382 2.422 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000412697273 559051020 /nfs/dbraw/zinc/05/10/20/559051020.db2.gz LOFRKWNFBMOANG-AWEZNQCLSA-N 1 2 357.414 2.158 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000412697273 559051021 /nfs/dbraw/zinc/05/10/21/559051021.db2.gz LOFRKWNFBMOANG-AWEZNQCLSA-N 1 2 357.414 2.158 20 5 FEBDLO COc1ccc(CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)cc1[N+](=O)[O-] ZINC000413061434 559073905 /nfs/dbraw/zinc/07/39/05/559073905.db2.gz BOYBNKZMNJXMPU-TZMCWYRMSA-N 1 2 373.413 2.213 20 5 FEBDLO COc1ccc(CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)cc1[N+](=O)[O-] ZINC000413061434 559073908 /nfs/dbraw/zinc/07/39/08/559073908.db2.gz BOYBNKZMNJXMPU-TZMCWYRMSA-N 1 2 373.413 2.213 20 5 FEBDLO CNC(=O)CCOC1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413175921 559085529 /nfs/dbraw/zinc/08/55/29/559085529.db2.gz KGNNZTXWAMINFM-UHFFFAOYSA-N 1 2 358.398 2.265 20 5 FEBDLO C[C@@H](O)[C@H]1CCN(c2cc(N3CCc4ccc([N+](=O)[O-])cc4C3)nc[nH+]2)C1 ZINC000413186047 559086697 /nfs/dbraw/zinc/08/66/97/559086697.db2.gz OCWBPHJPQRHPRK-HIFRSBDPSA-N 1 2 369.425 2.155 20 5 FEBDLO C[C@@H](O)[C@H]1CCN(c2cc(N3CCc4ccc([N+](=O)[O-])cc4C3)[nH+]cn2)C1 ZINC000413186047 559086699 /nfs/dbraw/zinc/08/66/99/559086699.db2.gz OCWBPHJPQRHPRK-HIFRSBDPSA-N 1 2 369.425 2.155 20 5 FEBDLO Cc1nn(C)c(N2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC2)c1N ZINC000413228193 559090383 /nfs/dbraw/zinc/09/03/83/559090383.db2.gz KEGUBRXNGYEGDX-UHFFFAOYSA-N 1 2 367.413 2.094 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000417151254 559350106 /nfs/dbraw/zinc/35/01/06/559350106.db2.gz KZVODNGUSJLFLZ-UHFFFAOYSA-N 1 2 350.419 2.390 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC[C@H](CCO)CC1 ZINC000420643882 559494793 /nfs/dbraw/zinc/49/47/93/559494793.db2.gz RKRCCUFVGSMERB-INIZCTEOSA-N 1 2 363.458 2.416 20 5 FEBDLO CN(C)C(=O)NCC[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425454368 559703110 /nfs/dbraw/zinc/70/31/10/559703110.db2.gz GQIIVXQAIJTBSA-UHFFFAOYSA-N 1 2 359.224 2.060 20 5 FEBDLO CN(C)C(=O)NCC[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425454368 559703111 /nfs/dbraw/zinc/70/31/11/559703111.db2.gz GQIIVXQAIJTBSA-UHFFFAOYSA-N 1 2 359.224 2.060 20 5 FEBDLO COC[C@@]1(CO)CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425498793 559705911 /nfs/dbraw/zinc/70/59/11/559705911.db2.gz ZAPJIYAOEGKUHL-AWEZNQCLSA-N 1 2 359.220 2.188 20 5 FEBDLO COC[C@@]1(CO)CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425498793 559705912 /nfs/dbraw/zinc/70/59/12/559705912.db2.gz ZAPJIYAOEGKUHL-AWEZNQCLSA-N 1 2 359.220 2.188 20 5 FEBDLO CC[C@H]1C[N@H+](CCNC(=O)c2cccc(SC)c2[N+](=O)[O-])CCO1 ZINC000428060679 559769001 /nfs/dbraw/zinc/76/90/01/559769001.db2.gz LRAQLPLVMASKQU-LBPRGKRZSA-N 1 2 353.444 2.157 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2cccc(SC)c2[N+](=O)[O-])CCO1 ZINC000428060679 559769002 /nfs/dbraw/zinc/76/90/02/559769002.db2.gz LRAQLPLVMASKQU-LBPRGKRZSA-N 1 2 353.444 2.157 20 5 FEBDLO COc1cc[nH+]cc1CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000431588722 559842007 /nfs/dbraw/zinc/84/20/07/559842007.db2.gz UGAMXBCOLXWCDZ-UHFFFAOYSA-N 1 2 371.802 2.439 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1c[nH+]ccc1OC ZINC000431590259 559842045 /nfs/dbraw/zinc/84/20/45/559842045.db2.gz QSDFHUVIEBQGNF-UHFFFAOYSA-N 1 2 351.384 2.039 20 5 FEBDLO CCN1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000432687720 559863084 /nfs/dbraw/zinc/86/30/84/559863084.db2.gz ABURDVSATPDCFN-AWEZNQCLSA-N 1 2 374.401 2.237 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000432872853 559866841 /nfs/dbraw/zinc/86/68/41/559866841.db2.gz RTQUNSRUIMIANV-UHFFFAOYSA-N 1 2 372.381 2.396 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000434367488 559899024 /nfs/dbraw/zinc/89/90/24/559899024.db2.gz QFNNJONVOJXHFW-ZIAGYGMSSA-N 1 2 350.419 2.018 20 5 FEBDLO Cn1cc[nH+]c1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436315260 559939638 /nfs/dbraw/zinc/93/96/38/559939638.db2.gz FSOQLOBSFSVNOI-UHFFFAOYSA-N 1 2 350.353 2.484 20 5 FEBDLO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436736875 559950292 /nfs/dbraw/zinc/95/02/92/559950292.db2.gz PHIVJNDKPZQZMA-INIZCTEOSA-N 1 2 359.382 2.342 20 5 FEBDLO CCc1n[nH]c(C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)c1[N+](=O)[O-] ZINC000440327228 560008804 /nfs/dbraw/zinc/00/88/04/560008804.db2.gz QHSFUHUHOOBRIV-UHFFFAOYSA-N 1 2 368.397 2.397 20 5 FEBDLO CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000448962756 560209049 /nfs/dbraw/zinc/20/90/49/560209049.db2.gz QRQXMBXRYVMPRH-HNNXBMFYSA-N 1 2 355.398 2.294 20 5 FEBDLO CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000448962756 560209050 /nfs/dbraw/zinc/20/90/50/560209050.db2.gz QRQXMBXRYVMPRH-HNNXBMFYSA-N 1 2 355.398 2.294 20 5 FEBDLO O=C(NC[C@@H](O)C1CCCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449842560 560242171 /nfs/dbraw/zinc/24/21/71/560242171.db2.gz NAYQTEWPQXIERW-QGZVFWFLSA-N 1 2 358.398 2.452 20 5 FEBDLO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCC[C@H]1O ZINC000450084979 560250244 /nfs/dbraw/zinc/25/02/44/560250244.db2.gz KESVBOJJMYNNOZ-AEFFLSMTSA-N 1 2 358.398 2.452 20 5 FEBDLO CC(C)(CNc1nccc2c1cccc2[N+](=O)[O-])[NH+]1CCS(=O)CC1 ZINC000450349093 560259347 /nfs/dbraw/zinc/25/93/47/560259347.db2.gz NSBPRKLMJJNYLP-UHFFFAOYSA-N 1 2 362.455 2.398 20 5 FEBDLO CCOC(=O)C[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450550342 560265948 /nfs/dbraw/zinc/26/59/48/560265948.db2.gz XGSGPAKBNNCGET-GFCCVEGCSA-N 1 2 360.370 2.194 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H](COC(F)F)C1 ZINC000451716386 560324355 /nfs/dbraw/zinc/32/43/55/560324355.db2.gz XWMOKQBWEXOVNY-LLVKDONJSA-N 1 2 366.324 2.482 20 5 FEBDLO Cc1noc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000451757438 560326815 /nfs/dbraw/zinc/32/68/15/560326815.db2.gz ILEWHEMQZKMCQH-UHFFFAOYSA-N 1 2 356.342 2.137 20 5 FEBDLO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000451945244 560339805 /nfs/dbraw/zinc/33/98/05/560339805.db2.gz IEOMCFGKSOICAU-WCBMZHEXSA-N 1 2 356.791 2.429 20 5 FEBDLO COC(=O)[C@H](CC(C)C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452356312 560359821 /nfs/dbraw/zinc/35/98/21/560359821.db2.gz PPEYNYAGINZFDJ-INIZCTEOSA-N 1 2 374.397 2.440 20 5 FEBDLO Cc1cc(C(=O)N2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)[C@H](C)C2)[nH]n1 ZINC000453605993 560390798 /nfs/dbraw/zinc/39/07/98/560390798.db2.gz DSYZFLWCNFKQMT-CQSZACIVSA-N 1 2 357.414 2.281 20 5 FEBDLO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)[C@H](C)C2)[nH]n1 ZINC000453605993 560390799 /nfs/dbraw/zinc/39/07/99/560390799.db2.gz DSYZFLWCNFKQMT-CQSZACIVSA-N 1 2 357.414 2.281 20 5 FEBDLO Cc1cc(C(=O)N2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)[C@H](C)C2)n[nH]1 ZINC000453605993 560390800 /nfs/dbraw/zinc/39/08/00/560390800.db2.gz DSYZFLWCNFKQMT-CQSZACIVSA-N 1 2 357.414 2.281 20 5 FEBDLO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)[C@H](C)C2)n[nH]1 ZINC000453605993 560390801 /nfs/dbraw/zinc/39/08/01/560390801.db2.gz DSYZFLWCNFKQMT-CQSZACIVSA-N 1 2 357.414 2.281 20 5 FEBDLO C[C@@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000454535119 560448674 /nfs/dbraw/zinc/44/86/74/560448674.db2.gz FKCHGUQYWRXQEX-RDBSUJKOSA-N 1 2 350.419 2.064 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000456364464 560517594 /nfs/dbraw/zinc/51/75/94/560517594.db2.gz CQGGLOIOHCOTRS-VNQPRFMTSA-N 1 2 370.409 2.404 20 5 FEBDLO Cc1[nH+]c2cc(NC(=O)c3ccc([N+](=O)[O-])n3C)ccc2n1[C@@H](C)CO ZINC000456693899 560529345 /nfs/dbraw/zinc/52/93/45/560529345.db2.gz BIEXBRYSZSAJKG-JTQLQIEISA-N 1 2 357.370 2.397 20 5 FEBDLO Cn1c[nH+]c(CCNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000458710209 560642687 /nfs/dbraw/zinc/64/26/87/560642687.db2.gz VFSUWIDIAKIABM-UHFFFAOYSA-N 1 2 371.319 2.389 20 5 FEBDLO COc1cc(C[NH+]2CC(C)(CO)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000459616957 560697996 /nfs/dbraw/zinc/69/79/96/560697996.db2.gz AEYGVAXXUWSNGG-UHFFFAOYSA-N 1 2 364.320 2.359 20 5 FEBDLO COCc1nc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cs1 ZINC000460960350 560757167 /nfs/dbraw/zinc/75/71/67/560757167.db2.gz SJVQJZANBMSNAA-UHFFFAOYSA-N 1 2 373.394 2.313 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@@H](n2cccn2)C1 ZINC000461871204 560785807 /nfs/dbraw/zinc/78/58/07/560785807.db2.gz LPFWJACXXNGVGL-MRXNPFEDSA-N 1 2 357.414 2.075 20 5 FEBDLO CCOc1ccc(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000468910416 560942105 /nfs/dbraw/zinc/94/21/05/560942105.db2.gz KWJSIDHHEPOSRN-UHFFFAOYSA-N 1 2 365.430 2.176 20 5 FEBDLO CCOc1ccc(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000468910416 560942106 /nfs/dbraw/zinc/94/21/06/560942106.db2.gz KWJSIDHHEPOSRN-UHFFFAOYSA-N 1 2 365.430 2.176 20 5 FEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000470173616 560976066 /nfs/dbraw/zinc/97/60/66/560976066.db2.gz DPTXIEZZEGYNBL-NKAIQICCSA-N 1 2 359.426 2.321 20 5 FEBDLO COC(=O)COc1ccc(C[N@@H+]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000475699655 561102762 /nfs/dbraw/zinc/10/27/62/561102762.db2.gz MBMHUEBIXPKNHR-UHFFFAOYSA-N 1 2 364.398 2.292 20 5 FEBDLO COC(=O)COc1ccc(C[N@H+]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000475699655 561102763 /nfs/dbraw/zinc/10/27/63/561102763.db2.gz MBMHUEBIXPKNHR-UHFFFAOYSA-N 1 2 364.398 2.292 20 5 FEBDLO Cc1nc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000476200871 561113049 /nfs/dbraw/zinc/11/30/49/561113049.db2.gz VVHBNGXXFTUXNS-UHFFFAOYSA-N 1 2 350.400 2.161 20 5 FEBDLO Cn1c2ccccc2nc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000532753470 562487526 /nfs/dbraw/zinc/48/75/26/562487526.db2.gz GWNMQGCFJQOUAL-UHFFFAOYSA-N 1 2 352.398 2.199 20 5 FEBDLO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1CCS(=O)(=O)C1 ZINC000534859148 562543921 /nfs/dbraw/zinc/54/39/21/562543921.db2.gz QXLNLMXPILTVMQ-LBPRGKRZSA-N 1 2 365.411 2.116 20 5 FEBDLO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1CCS(=O)(=O)C1 ZINC000534859148 562543922 /nfs/dbraw/zinc/54/39/22/562543922.db2.gz QXLNLMXPILTVMQ-LBPRGKRZSA-N 1 2 365.411 2.116 20 5 FEBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCO)CC1 ZINC000540784317 562593083 /nfs/dbraw/zinc/59/30/83/562593083.db2.gz RNGMPWOVCOMIPE-UHFFFAOYSA-N 1 2 367.471 2.237 20 5 FEBDLO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000569404530 568401031 /nfs/dbraw/zinc/40/10/31/568401031.db2.gz XLAOBXFOZQKJML-CYBMUJFWSA-N 1 2 368.397 2.129 20 5 FEBDLO Cc1cccn2cc(CCNc3ccc([N+](=O)[O-])c(-c4nn[nH]n4)c3)[nH+]c12 ZINC000826308342 607454242 /nfs/dbraw/zinc/45/42/42/607454242.db2.gz VFXPFKOUUXPFEY-UHFFFAOYSA-N 1 2 364.369 2.386 20 5 FEBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1ccc([N+](=O)[O-])c(-c3nn[nH]n3)c1)C2 ZINC000824364642 607841776 /nfs/dbraw/zinc/84/17/76/607841776.db2.gz OGRMAKFYSBMQQH-UHFFFAOYSA-N 1 2 368.401 2.195 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1Cl ZINC000816642033 675070062 /nfs/dbraw/zinc/07/00/62/675070062.db2.gz NHTWSZIEOSLODL-ZDUSSCGKSA-N 1 2 351.794 2.169 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1Cl ZINC000816642033 675070066 /nfs/dbraw/zinc/07/00/66/675070066.db2.gz NHTWSZIEOSLODL-ZDUSSCGKSA-N 1 2 351.794 2.169 20 5 FEBDLO CC(C)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000101568973 670768317 /nfs/dbraw/zinc/76/83/17/670768317.db2.gz HYMMRDOHJUFNLD-UHFFFAOYSA-N 1 2 361.851 2.211 20 5 FEBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609134795 675911447 /nfs/dbraw/zinc/91/14/47/675911447.db2.gz YHJVMLLUBQFSPM-LLVKDONJSA-N 1 2 370.818 2.471 20 5 FEBDLO Cc1nnc(CC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)s1 ZINC000577360019 671590343 /nfs/dbraw/zinc/59/03/43/671590343.db2.gz GEXKMWYHLZRFQW-OAHLLOKOSA-N 1 2 358.427 2.410 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000580488512 671811677 /nfs/dbraw/zinc/81/16/77/671811677.db2.gz TZRHLIOVXCOMNS-QWHCGFSZSA-N 1 2 350.419 2.388 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CC2CC2)CC1 ZINC000125467178 672012007 /nfs/dbraw/zinc/01/20/07/672012007.db2.gz KOYACUSHWFNUJB-UHFFFAOYSA-N 1 2 373.862 2.273 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(O)(C(F)(F)F)CC2)c1 ZINC000589511037 672529934 /nfs/dbraw/zinc/52/99/34/672529934.db2.gz WHZNEIPCKXUCOU-UHFFFAOYSA-N 1 2 362.304 2.271 20 5 FEBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000589835910 672543014 /nfs/dbraw/zinc/54/30/14/672543014.db2.gz PKLPNCLFUMYHIY-LLVKDONJSA-N 1 2 350.325 2.476 20 5 FEBDLO Cn1ccnc1[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000595068996 673190534 /nfs/dbraw/zinc/19/05/34/673190534.db2.gz LZAAUIGHSIQQKC-KBPBESRZSA-N 1 2 352.341 2.432 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000596167705 673364859 /nfs/dbraw/zinc/36/48/59/673364859.db2.gz KHOAYAPCXOCKAZ-MGPQQGTHSA-N 1 2 350.419 2.064 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000596167705 673364862 /nfs/dbraw/zinc/36/48/62/673364862.db2.gz KHOAYAPCXOCKAZ-MGPQQGTHSA-N 1 2 350.419 2.064 20 5 FEBDLO COCCOCC[NH+]1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596292665 673375027 /nfs/dbraw/zinc/37/50/27/673375027.db2.gz YRIBYNDWHUUCKG-UHFFFAOYSA-N 1 2 373.837 2.042 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(Br)c1 ZINC000742401137 673726427 /nfs/dbraw/zinc/72/64/27/673726427.db2.gz NGZGVDGJHWQRIG-LSDHHAIUSA-N 1 2 370.247 2.393 20 5 FEBDLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)nn1 ZINC000546224543 673797742 /nfs/dbraw/zinc/79/77/42/673797742.db2.gz BKLVQJOAEBVQEI-LBPRGKRZSA-N 1 2 365.777 2.073 20 5 FEBDLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)nn1 ZINC000546224543 673797745 /nfs/dbraw/zinc/79/77/45/673797745.db2.gz BKLVQJOAEBVQEI-LBPRGKRZSA-N 1 2 365.777 2.073 20 5 FEBDLO CC[C@@H](C)[C@@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)OC ZINC000602447047 673906097 /nfs/dbraw/zinc/90/60/97/673906097.db2.gz KWRQAOYVVIGOIU-CHWSQXEVSA-N 1 2 355.460 2.475 20 5 FEBDLO Cc1ccc(C(=O)NC2CC[NH+](Cc3cn(C)nc3[N+](=O)[O-])CC2)s1 ZINC000602455737 673906186 /nfs/dbraw/zinc/90/61/86/673906186.db2.gz SKEVHKOULGJZJD-UHFFFAOYSA-N 1 2 363.443 2.093 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000602879513 673912143 /nfs/dbraw/zinc/91/21/43/673912143.db2.gz AFYQLRYMVCSIGZ-CQSZACIVSA-N 1 2 369.462 2.374 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000602879513 673912146 /nfs/dbraw/zinc/91/21/46/673912146.db2.gz AFYQLRYMVCSIGZ-CQSZACIVSA-N 1 2 369.462 2.374 20 5 FEBDLO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCCNC1=O ZINC000822606820 675495021 /nfs/dbraw/zinc/49/50/21/675495021.db2.gz USSAIDCVDDLSGG-GFCCVEGCSA-N 1 2 356.220 2.458 20 5 FEBDLO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCCNC1=O ZINC000822606820 675495022 /nfs/dbraw/zinc/49/50/22/675495022.db2.gz USSAIDCVDDLSGG-GFCCVEGCSA-N 1 2 356.220 2.458 20 5 FEBDLO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000822818385 675509018 /nfs/dbraw/zinc/50/90/18/675509018.db2.gz BPONWTBSRUBNBB-UHFFFAOYSA-N 1 2 366.805 2.127 20 5 FEBDLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)nn1 ZINC000760869240 680703995 /nfs/dbraw/zinc/70/39/95/680703995.db2.gz MYGILECUIORDKM-GFCCVEGCSA-N 1 2 365.777 2.073 20 5 FEBDLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)nn1 ZINC000760869240 680703997 /nfs/dbraw/zinc/70/39/97/680703997.db2.gz MYGILECUIORDKM-GFCCVEGCSA-N 1 2 365.777 2.073 20 5 FEBDLO C[C@@H](CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000840950841 680856239 /nfs/dbraw/zinc/85/62/39/680856239.db2.gz PDDMHKLQFTWYJG-JTQLQIEISA-N 1 2 358.807 2.059 20 5 FEBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000832415295 680131599 /nfs/dbraw/zinc/13/15/99/680131599.db2.gz PHIBGGMVVSBLIJ-GFCCVEGCSA-N 1 2 359.423 2.147 20 5 FEBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000832415295 680131602 /nfs/dbraw/zinc/13/16/02/680131602.db2.gz PHIBGGMVVSBLIJ-GFCCVEGCSA-N 1 2 359.423 2.147 20 5 FEBDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000832415296 680131691 /nfs/dbraw/zinc/13/16/91/680131691.db2.gz PHIBGGMVVSBLIJ-LBPRGKRZSA-N 1 2 359.423 2.147 20 5 FEBDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000832415296 680131693 /nfs/dbraw/zinc/13/16/93/680131693.db2.gz PHIBGGMVVSBLIJ-LBPRGKRZSA-N 1 2 359.423 2.147 20 5 FEBDLO COc1cccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1Cl ZINC000981137823 680216942 /nfs/dbraw/zinc/21/69/42/680216942.db2.gz GJUOMTRGAFBUTM-ZIAGYGMSSA-N 1 2 367.833 2.048 20 5 FEBDLO COc1cccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1Cl ZINC000981137823 680216949 /nfs/dbraw/zinc/21/69/49/680216949.db2.gz GJUOMTRGAFBUTM-ZIAGYGMSSA-N 1 2 367.833 2.048 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1Cl ZINC000836229673 680438208 /nfs/dbraw/zinc/43/82/08/680438208.db2.gz HMKVGYRUXBUHNE-CYBMUJFWSA-N 1 2 367.833 2.493 20 5 FEBDLO Cc1csc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)n1 ZINC001034816509 680439985 /nfs/dbraw/zinc/43/99/85/680439985.db2.gz QGWFDMMXUUCSSJ-HUUCEWRRSA-N 1 2 360.439 2.023 20 5 FEBDLO CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C[NH+]1CCOCC1 ZINC000841346591 680874029 /nfs/dbraw/zinc/87/40/29/680874029.db2.gz DQUGWNLTDMXDFB-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO CCN(OC)C(=O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000842768646 680965102 /nfs/dbraw/zinc/96/51/02/680965102.db2.gz CHCVRTZRKWOVNT-UHFFFAOYSA-N 1 2 350.400 2.218 20 5 FEBDLO CN(CC[NH+]1CCOCC1)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769308274 680977491 /nfs/dbraw/zinc/97/74/91/680977491.db2.gz OFPMFPAXTJYSKM-UHFFFAOYSA-N 1 2 358.236 2.121 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000770717341 681025413 /nfs/dbraw/zinc/02/54/13/681025413.db2.gz QKMZHWADWGIAJK-GHMZBOCLSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000770717341 681025415 /nfs/dbraw/zinc/02/54/15/681025415.db2.gz QKMZHWADWGIAJK-GHMZBOCLSA-N 1 2 361.851 2.270 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C1 ZINC000933179186 681372326 /nfs/dbraw/zinc/37/23/26/681372326.db2.gz PJASJIWYSCNJTB-VXGBXAGGSA-N 1 2 350.371 2.235 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C1 ZINC000933179186 681372329 /nfs/dbraw/zinc/37/23/29/681372329.db2.gz PJASJIWYSCNJTB-VXGBXAGGSA-N 1 2 350.371 2.235 20 5 FEBDLO COC[C@@H]1CC[C@@H]([C@H]2COCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)O1 ZINC000933199218 681374453 /nfs/dbraw/zinc/37/44/53/681374453.db2.gz HSKDGJPAADQGCU-KSZLIROESA-N 1 2 350.415 2.032 20 5 FEBDLO COC[C@@H]1CC[C@@H]([C@H]2COCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)O1 ZINC000933199218 681374459 /nfs/dbraw/zinc/37/44/59/681374459.db2.gz HSKDGJPAADQGCU-KSZLIROESA-N 1 2 350.415 2.032 20 5 FEBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000874702126 685449241 /nfs/dbraw/zinc/44/92/41/685449241.db2.gz IZXGMHVEVOPAIK-CYBMUJFWSA-N 1 2 355.822 2.018 20 5 FEBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000874702126 685449243 /nfs/dbraw/zinc/44/92/43/685449243.db2.gz IZXGMHVEVOPAIK-CYBMUJFWSA-N 1 2 355.822 2.018 20 5 FEBDLO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000848486642 681559243 /nfs/dbraw/zinc/55/92/43/681559243.db2.gz ICVNMTGHQPTOML-KBPBESRZSA-N 1 2 355.341 2.182 20 5 FEBDLO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000848486642 681559246 /nfs/dbraw/zinc/55/92/46/681559246.db2.gz ICVNMTGHQPTOML-KBPBESRZSA-N 1 2 355.341 2.182 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000778091579 681570062 /nfs/dbraw/zinc/57/00/62/681570062.db2.gz WOPXNPMKWXYSQP-JTQLQIEISA-N 1 2 370.818 2.046 20 5 FEBDLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783498963 682147725 /nfs/dbraw/zinc/14/77/25/682147725.db2.gz XZRLHCYXASFCPN-LBPRGKRZSA-N 1 2 361.851 2.009 20 5 FEBDLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783498963 682147727 /nfs/dbraw/zinc/14/77/27/682147727.db2.gz XZRLHCYXASFCPN-LBPRGKRZSA-N 1 2 361.851 2.009 20 5 FEBDLO O=C1NCC2(CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)O1 ZINC000783722895 682170147 /nfs/dbraw/zinc/17/01/47/682170147.db2.gz KUQXWBOZMPMKFK-UHFFFAOYSA-N 1 2 357.313 2.271 20 5 FEBDLO CC(=O)NCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000917119942 685529789 /nfs/dbraw/zinc/52/97/89/685529789.db2.gz LULCYYOWRNBOEE-UHFFFAOYSA-N 1 2 368.821 2.035 20 5 FEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000853848245 682478277 /nfs/dbraw/zinc/47/82/77/682478277.db2.gz SNOIFIXHPOWBCG-NEPJUHHUSA-N 1 2 370.837 2.157 20 5 FEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000853848245 682478280 /nfs/dbraw/zinc/47/82/80/682478280.db2.gz SNOIFIXHPOWBCG-NEPJUHHUSA-N 1 2 370.837 2.157 20 5 FEBDLO Cc1cc(Cl)c(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000855405893 682666244 /nfs/dbraw/zinc/66/62/44/682666244.db2.gz AKKKIEDUCTUCGO-VXGBXAGGSA-N 1 2 355.822 2.396 20 5 FEBDLO Cc1cc(Cl)c(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000855405893 682666246 /nfs/dbraw/zinc/66/62/46/682666246.db2.gz AKKKIEDUCTUCGO-VXGBXAGGSA-N 1 2 355.822 2.396 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)cc1F ZINC000856787430 682810405 /nfs/dbraw/zinc/81/04/05/682810405.db2.gz BUHMFJHXYPBGIR-HNNXBMFYSA-N 1 2 350.371 2.493 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCC[NH+]2CCCCC2)c1 ZINC000798225770 683324276 /nfs/dbraw/zinc/32/42/76/683324276.db2.gz KKSYCYSGIABTBP-UHFFFAOYSA-N 1 2 365.814 2.152 20 5 FEBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000928646061 683480840 /nfs/dbraw/zinc/48/08/40/683480840.db2.gz GEFIEIOQNSNMEX-GFCCVEGCSA-N 1 2 373.812 2.157 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000931297311 684257495 /nfs/dbraw/zinc/25/74/95/684257495.db2.gz HSIQFQKFKOHUJX-LLVKDONJSA-N 1 2 356.810 2.433 20 5 FEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000878091822 686518501 /nfs/dbraw/zinc/51/85/01/686518501.db2.gz JGVAFNSSIFNAJZ-LBPRGKRZSA-N 1 2 353.423 2.041 20 5 FEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000878091822 686518508 /nfs/dbraw/zinc/51/85/08/686518508.db2.gz JGVAFNSSIFNAJZ-LBPRGKRZSA-N 1 2 353.423 2.041 20 5 FEBDLO C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H](C(F)(F)F)O1 ZINC000880060830 686990377 /nfs/dbraw/zinc/99/03/77/686990377.db2.gz YSPRPWGRCLMFML-ZANVPECISA-N 1 2 361.320 2.235 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H](C(F)(F)F)O1 ZINC000880060830 686990382 /nfs/dbraw/zinc/99/03/82/686990382.db2.gz YSPRPWGRCLMFML-ZANVPECISA-N 1 2 361.320 2.235 20 5 FEBDLO COC1CC[NH+](Cc2cn(Cc3ccc(Cl)c([N+](=O)[O-])c3)nn2)CC1 ZINC000881226901 687118741 /nfs/dbraw/zinc/11/87/41/687118741.db2.gz ATXUWTJBFQVNOG-UHFFFAOYSA-N 1 2 365.821 2.499 20 5 FEBDLO COc1c(O)ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1[N+](=O)[O-] ZINC000894124726 689471229 /nfs/dbraw/zinc/47/12/29/689471229.db2.gz OSGNFLZIQQCJJS-NVGCLXPQSA-N 1 2 352.387 2.077 20 5 FEBDLO COc1c(O)ccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1[N+](=O)[O-] ZINC000894124726 689471233 /nfs/dbraw/zinc/47/12/33/689471233.db2.gz OSGNFLZIQQCJJS-NVGCLXPQSA-N 1 2 352.387 2.077 20 5 FEBDLO C/C(=C\C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C[NH+]1CCOCC1 ZINC000901015215 690600732 /nfs/dbraw/zinc/60/07/32/690600732.db2.gz ASOOSVHGEXCDAO-XYOKQWHBSA-N 1 2 353.806 2.143 20 5 FEBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000901519233 690655065 /nfs/dbraw/zinc/65/50/65/690655065.db2.gz BWZKFPIEORSUCK-DOMZBBRYSA-N 1 2 369.805 2.067 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000907835625 691568096 /nfs/dbraw/zinc/56/80/96/691568096.db2.gz IQWJFUAUYJHNDK-ZDUSSCGKSA-N 1 2 369.849 2.360 20 5 FEBDLO O=C(NCC(F)(F)F)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000549348793 674035899 /nfs/dbraw/zinc/03/58/99/674035899.db2.gz VWBBGTKGSRJKGI-UHFFFAOYSA-N 1 2 361.320 2.191 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000018826840 539649775 /nfs/dbraw/zinc/64/97/75/539649775.db2.gz BIQFDRCYEUANCI-UHFFFAOYSA-N 1 2 369.421 2.361 20 5 FEBDLO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000023736549 539720084 /nfs/dbraw/zinc/72/00/84/539720084.db2.gz ONMHMHHZWKINEO-UHFFFAOYSA-N 1 2 353.444 2.421 20 5 FEBDLO C[N@@H+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000025909560 539772330 /nfs/dbraw/zinc/77/23/30/539772330.db2.gz CGKPOCRPDOMSPG-MRXNPFEDSA-N 1 2 361.423 2.272 20 5 FEBDLO C[N@H+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000025909560 539772332 /nfs/dbraw/zinc/77/23/32/539772332.db2.gz CGKPOCRPDOMSPG-MRXNPFEDSA-N 1 2 361.423 2.272 20 5 FEBDLO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348816 539784891 /nfs/dbraw/zinc/78/48/91/539784891.db2.gz PXARNFYBDIPGIQ-AWEZNQCLSA-N 1 2 370.409 2.441 20 5 FEBDLO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348816 539784894 /nfs/dbraw/zinc/78/48/94/539784894.db2.gz PXARNFYBDIPGIQ-AWEZNQCLSA-N 1 2 370.409 2.441 20 5 FEBDLO CC(C)N(C(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)C ZINC000026490293 539787973 /nfs/dbraw/zinc/78/79/73/539787973.db2.gz BAYPOPZAYUPMRG-OAHLLOKOSA-N 1 2 363.462 2.146 20 5 FEBDLO COc1ccc(C[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c(OC)c1 ZINC000027350348 539805499 /nfs/dbraw/zinc/80/54/99/539805499.db2.gz OQSICDRDUADXQE-UHFFFAOYSA-N 1 2 359.382 2.343 20 5 FEBDLO COc1ccc(C[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c(OC)c1 ZINC000027350348 539805502 /nfs/dbraw/zinc/80/55/02/539805502.db2.gz OQSICDRDUADXQE-UHFFFAOYSA-N 1 2 359.382 2.343 20 5 FEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC2(CC1)OCCO2 ZINC000028077296 539826535 /nfs/dbraw/zinc/82/65/35/539826535.db2.gz WBOWGGLSBYSTFX-LLVKDONJSA-N 1 2 369.805 2.414 20 5 FEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000028491557 539833251 /nfs/dbraw/zinc/83/32/51/539833251.db2.gz PNEMJIFMGSCVLI-HNNXBMFYSA-N 1 2 374.788 2.084 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000045797337 540228807 /nfs/dbraw/zinc/22/88/07/540228807.db2.gz JUNGNXZQNFEANV-CYBMUJFWSA-N 1 2 353.400 2.077 20 5 FEBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000047031868 540286185 /nfs/dbraw/zinc/28/61/85/540286185.db2.gz GIKNSKHUIKPOHC-AWEZNQCLSA-N 1 2 365.411 2.303 20 5 FEBDLO COc1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1O ZINC000047512256 540315462 /nfs/dbraw/zinc/31/54/62/540315462.db2.gz LLYZEZCWDRJYCS-UHFFFAOYSA-N 1 2 368.349 2.425 20 5 FEBDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743345 540327185 /nfs/dbraw/zinc/32/71/85/540327185.db2.gz XILXDOKCPAQHCB-QAPCUYQASA-N 1 2 360.458 2.412 20 5 FEBDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000047851577 540330386 /nfs/dbraw/zinc/33/03/86/540330386.db2.gz YSWRSNWJXYFDFO-SFHVURJKSA-N 1 2 355.394 2.147 20 5 FEBDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000047851577 540330389 /nfs/dbraw/zinc/33/03/89/540330389.db2.gz YSWRSNWJXYFDFO-SFHVURJKSA-N 1 2 355.394 2.147 20 5 FEBDLO CCOC(=O)c1cc(C(=O)Nc2ccc[nH+]c2N(C)C)cc([N+](=O)[O-])c1 ZINC000047975853 540338448 /nfs/dbraw/zinc/33/84/48/540338448.db2.gz XMOHINWIZRVFPN-UHFFFAOYSA-N 1 2 358.354 2.485 20 5 FEBDLO Cc1noc([C@H]2CCC[N@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)n1 ZINC000054677356 540602176 /nfs/dbraw/zinc/60/21/76/540602176.db2.gz PLPLSIANFJQAIP-ZDUSSCGKSA-N 1 2 359.386 2.413 20 5 FEBDLO Cc1noc([C@H]2CCC[N@@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)n1 ZINC000054677356 540602180 /nfs/dbraw/zinc/60/21/80/540602180.db2.gz PLPLSIANFJQAIP-ZDUSSCGKSA-N 1 2 359.386 2.413 20 5 FEBDLO CN(C)c1[nH+]cccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000056056784 540697451 /nfs/dbraw/zinc/69/74/51/540697451.db2.gz AQYVCQBWMOOFNA-UHFFFAOYSA-N 1 2 370.818 2.188 20 5 FEBDLO CNC(=O)c1ccc(N(C)Cc2[nH+]ccn2CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000057839667 540818840 /nfs/dbraw/zinc/81/88/40/540818840.db2.gz BNLGYIYFIXHNEJ-UHFFFAOYSA-N 1 2 371.319 2.350 20 5 FEBDLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000068919034 541640558 /nfs/dbraw/zinc/64/05/58/541640558.db2.gz WKUORDTYGIFVFP-INIZCTEOSA-N 1 2 373.384 2.365 20 5 FEBDLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000068919034 541640560 /nfs/dbraw/zinc/64/05/60/541640560.db2.gz WKUORDTYGIFVFP-INIZCTEOSA-N 1 2 373.384 2.365 20 5 FEBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCCc1cn2c([nH+]1)CCCC2 ZINC000069006558 541648306 /nfs/dbraw/zinc/64/83/06/541648306.db2.gz KYFAQOQTJPSVCR-UHFFFAOYSA-N 1 2 362.361 2.004 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCN(C)c2ccccc2C1 ZINC000069091117 541656180 /nfs/dbraw/zinc/65/61/80/541656180.db2.gz HDLDJHLJOBFLRN-UHFFFAOYSA-N 1 2 370.409 2.494 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCN(C)c2ccccc2C1 ZINC000069091117 541656182 /nfs/dbraw/zinc/65/61/82/541656182.db2.gz HDLDJHLJOBFLRN-UHFFFAOYSA-N 1 2 370.409 2.494 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCN(C)c3ccccc3C2)c([N+](=O)[O-])c1 ZINC000069090116 541656294 /nfs/dbraw/zinc/65/62/94/541656294.db2.gz LENGWJURACKOAQ-UHFFFAOYSA-N 1 2 370.409 2.494 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCN(C)c3ccccc3C2)c([N+](=O)[O-])c1 ZINC000069090116 541656296 /nfs/dbraw/zinc/65/62/96/541656296.db2.gz LENGWJURACKOAQ-UHFFFAOYSA-N 1 2 370.409 2.494 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000069562937 541697380 /nfs/dbraw/zinc/69/73/80/541697380.db2.gz XVMKSTACTLHIDQ-UHFFFAOYSA-N 1 2 367.365 2.114 20 5 FEBDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000069867420 541720473 /nfs/dbraw/zinc/72/04/73/541720473.db2.gz GMIQMYVWKMJDQM-LBPRGKRZSA-N 1 2 367.427 2.157 20 5 FEBDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000069867420 541720477 /nfs/dbraw/zinc/72/04/77/541720477.db2.gz GMIQMYVWKMJDQM-LBPRGKRZSA-N 1 2 367.427 2.157 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000067429079 205371687 /nfs/dbraw/zinc/37/16/87/205371687.db2.gz KRXWGEFVMWKGSL-AWEZNQCLSA-N 1 2 367.427 2.331 20 5 FEBDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1csc([N+](=O)[O-])c1 ZINC000117236032 206101573 /nfs/dbraw/zinc/10/15/73/206101573.db2.gz MCGSDGNJKGKEPR-UHFFFAOYSA-N 1 2 361.423 2.419 20 5 FEBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000075469925 542181009 /nfs/dbraw/zinc/18/10/09/542181009.db2.gz UQHFYSQOBOADNQ-AWEZNQCLSA-N 1 2 371.441 2.180 20 5 FEBDLO COc1ccc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000075711376 542199868 /nfs/dbraw/zinc/19/98/68/542199868.db2.gz NECGUXSDTZXVCE-UHFFFAOYSA-N 1 2 358.276 2.292 20 5 FEBDLO O=C(C[N@@H+]1CCOc2ccccc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000077233891 542357383 /nfs/dbraw/zinc/35/73/83/542357383.db2.gz IRZWKDXNNXOYTF-UHFFFAOYSA-N 1 2 353.378 2.379 20 5 FEBDLO O=C(C[N@H+]1CCOc2ccccc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000077233891 542357386 /nfs/dbraw/zinc/35/73/86/542357386.db2.gz IRZWKDXNNXOYTF-UHFFFAOYSA-N 1 2 353.378 2.379 20 5 FEBDLO Cc1cc(NC[C@H](O)c2cnn(C)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000078375419 542458930 /nfs/dbraw/zinc/45/89/30/542458930.db2.gz HKWXEALXKQXOLT-HNNXBMFYSA-N 1 2 354.370 2.239 20 5 FEBDLO CNC(=O)N1CC[NH+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000084696927 542719044 /nfs/dbraw/zinc/71/90/44/542719044.db2.gz XSZJLIQDROWKDT-UHFFFAOYSA-N 1 2 351.406 2.403 20 5 FEBDLO Cn1cc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092676549 542881428 /nfs/dbraw/zinc/88/14/28/542881428.db2.gz YYUZKLCOFVYKCM-SJORKVTESA-N 1 2 369.425 2.238 20 5 FEBDLO Cn1cc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092676549 542881431 /nfs/dbraw/zinc/88/14/31/542881431.db2.gz YYUZKLCOFVYKCM-SJORKVTESA-N 1 2 369.425 2.238 20 5 FEBDLO C[N@H+](CCN1CCOCC1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000092974656 542898990 /nfs/dbraw/zinc/89/89/90/542898990.db2.gz FUMJJSSYVLNIHE-UHFFFAOYSA-N 1 2 362.455 2.482 20 5 FEBDLO C[N@@H+](CCN1CCOCC1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000092974656 542898992 /nfs/dbraw/zinc/89/89/92/542898992.db2.gz FUMJJSSYVLNIHE-UHFFFAOYSA-N 1 2 362.455 2.482 20 5 FEBDLO CN(CC[NH+]1CCOCC1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000092974656 542898994 /nfs/dbraw/zinc/89/89/94/542898994.db2.gz FUMJJSSYVLNIHE-UHFFFAOYSA-N 1 2 362.455 2.482 20 5 FEBDLO CCN1CC[NH+]([C@H]2CCN(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)C2)CC1 ZINC000106937503 543256547 /nfs/dbraw/zinc/25/65/47/543256547.db2.gz JBSYYWONGAGNAC-INIZCTEOSA-N 1 2 361.446 2.147 20 5 FEBDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)CC1 ZINC000106938520 543257112 /nfs/dbraw/zinc/25/71/12/543257112.db2.gz QLWYTEHOHISSCA-OAHLLOKOSA-N 1 2 361.446 2.147 20 5 FEBDLO Cc1c(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000109762111 543337689 /nfs/dbraw/zinc/33/76/89/543337689.db2.gz IYLVFWUWQSQZGV-CVEARBPZSA-N 1 2 368.455 2.071 20 5 FEBDLO Cc1c(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000109762111 543337690 /nfs/dbraw/zinc/33/76/90/543337690.db2.gz IYLVFWUWQSQZGV-CVEARBPZSA-N 1 2 368.455 2.071 20 5 FEBDLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000111291483 543392977 /nfs/dbraw/zinc/39/29/77/543392977.db2.gz WKSWPHOZQWIRNJ-HNNXBMFYSA-N 1 2 371.397 2.232 20 5 FEBDLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000111291483 543392979 /nfs/dbraw/zinc/39/29/79/543392979.db2.gz WKSWPHOZQWIRNJ-HNNXBMFYSA-N 1 2 371.397 2.232 20 5 FEBDLO CCCc1n[nH]c(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1[N+](=O)[O-] ZINC000112725536 543460293 /nfs/dbraw/zinc/46/02/93/543460293.db2.gz RVKUZFUBQODHPK-UHFFFAOYSA-N 1 2 360.418 2.326 20 5 FEBDLO CCCc1[nH]nc(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1[N+](=O)[O-] ZINC000112725536 543460296 /nfs/dbraw/zinc/46/02/96/543460296.db2.gz RVKUZFUBQODHPK-UHFFFAOYSA-N 1 2 360.418 2.326 20 5 FEBDLO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000112996435 543471864 /nfs/dbraw/zinc/47/18/64/543471864.db2.gz XEFLTTHWKYMFDG-QGZVFWFLSA-N 1 2 359.382 2.207 20 5 FEBDLO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000112996435 543471867 /nfs/dbraw/zinc/47/18/67/543471867.db2.gz XEFLTTHWKYMFDG-QGZVFWFLSA-N 1 2 359.382 2.207 20 5 FEBDLO COCCCOC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000122611919 543713683 /nfs/dbraw/zinc/71/36/83/543713683.db2.gz KUQKCMAKACHIAF-UHFFFAOYSA-N 1 2 351.403 2.051 20 5 FEBDLO C[C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000124012608 543796817 /nfs/dbraw/zinc/79/68/17/543796817.db2.gz DNAMAPVEXMJYFD-VHSXEESVSA-N 1 2 359.835 2.152 20 5 FEBDLO C[C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000124012608 543796819 /nfs/dbraw/zinc/79/68/19/543796819.db2.gz DNAMAPVEXMJYFD-VHSXEESVSA-N 1 2 359.835 2.152 20 5 FEBDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000125179589 543865629 /nfs/dbraw/zinc/86/56/29/543865629.db2.gz UBORBSJYQAIYPY-UHFFFAOYSA-N 1 2 371.393 2.476 20 5 FEBDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000125179589 543865630 /nfs/dbraw/zinc/86/56/30/543865630.db2.gz UBORBSJYQAIYPY-UHFFFAOYSA-N 1 2 371.393 2.476 20 5 FEBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000128065536 544030734 /nfs/dbraw/zinc/03/07/34/544030734.db2.gz JSDVQDQYUIHSJX-MRXNPFEDSA-N 1 2 367.409 2.336 20 5 FEBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(CC)(CO)CC2)c([N+](=O)[O-])c1 ZINC000128326919 544046175 /nfs/dbraw/zinc/04/61/75/544046175.db2.gz REKZWACNDNPBHS-UHFFFAOYSA-N 1 2 365.430 2.417 20 5 FEBDLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000153126622 544736230 /nfs/dbraw/zinc/73/62/30/544736230.db2.gz KHONZVXWFGCMKH-AWEZNQCLSA-N 1 2 370.409 2.424 20 5 FEBDLO CSc1cccc(C(=O)N2CC[NH+](CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000188182417 328071642 /nfs/dbraw/zinc/07/16/42/328071642.db2.gz NYTYRRTZVIKMSG-UHFFFAOYSA-N 1 2 367.471 2.500 20 5 FEBDLO COc1ccc(NC(=O)C[NH+]2CCC([C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000189219475 328135540 /nfs/dbraw/zinc/13/55/40/328135540.db2.gz CSSURGJOEDPUFA-KRWDZBQOSA-N 1 2 363.414 2.433 20 5 FEBDLO COCC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1cccnc1 ZINC000191115697 328250590 /nfs/dbraw/zinc/25/05/90/328250590.db2.gz PCZXBSYOAPSAJD-UHFFFAOYSA-N 1 2 370.409 2.028 20 5 FEBDLO COCC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1cccnc1 ZINC000191115697 328250591 /nfs/dbraw/zinc/25/05/91/328250591.db2.gz PCZXBSYOAPSAJD-UHFFFAOYSA-N 1 2 370.409 2.028 20 5 FEBDLO O=C(NCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000193940811 328403266 /nfs/dbraw/zinc/40/32/66/328403266.db2.gz SMQHJRDDCKQGCE-UHFFFAOYSA-N 1 2 365.349 2.035 20 5 FEBDLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000016482966 324385967 /nfs/dbraw/zinc/38/59/67/324385967.db2.gz HOJGIMLPVUPMQE-NSHDSACASA-N 1 2 369.805 2.462 20 5 FEBDLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000016482966 324385970 /nfs/dbraw/zinc/38/59/70/324385970.db2.gz HOJGIMLPVUPMQE-NSHDSACASA-N 1 2 369.805 2.462 20 5 FEBDLO COc1ccc(C(=O)NCc2cccnc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000044912681 324566940 /nfs/dbraw/zinc/56/69/40/324566940.db2.gz GGZJIAMNSSUIMF-UHFFFAOYSA-N 1 2 353.338 2.114 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000119599821 326179608 /nfs/dbraw/zinc/17/96/08/326179608.db2.gz FQHNDPQOCHRIEH-AWEZNQCLSA-N 1 2 351.403 2.289 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000119599821 326179611 /nfs/dbraw/zinc/17/96/11/326179611.db2.gz FQHNDPQOCHRIEH-AWEZNQCLSA-N 1 2 351.403 2.289 20 5 FEBDLO CC(=O)N(C)C1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000119854749 326205429 /nfs/dbraw/zinc/20/54/29/326205429.db2.gz APUURVNRNMHNSH-CYBMUJFWSA-N 1 2 362.430 2.173 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000121311026 326328960 /nfs/dbraw/zinc/32/89/60/326328960.db2.gz ORNRPRNHHXNJKR-NSHDSACASA-N 1 2 370.818 2.046 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c(F)c1 ZINC000121428008 326337916 /nfs/dbraw/zinc/33/79/16/326337916.db2.gz BKJMCCXXZGGTTE-GFCCVEGCSA-N 1 2 354.363 2.373 20 5 FEBDLO O=C(C1CC1)N1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000121493276 326342982 /nfs/dbraw/zinc/34/29/82/326342982.db2.gz JDQSOBZGIHRDEF-UHFFFAOYSA-N 1 2 371.397 2.089 20 5 FEBDLO O=C(C1CC1)N1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000121493276 326342984 /nfs/dbraw/zinc/34/29/84/326342984.db2.gz JDQSOBZGIHRDEF-UHFFFAOYSA-N 1 2 371.397 2.089 20 5 FEBDLO COC(=O)c1cc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c1 ZINC000123920174 326444598 /nfs/dbraw/zinc/44/45/98/326444598.db2.gz SCPBCBRGFUFRSH-LRDDRELGSA-N 1 2 372.381 2.301 20 5 FEBDLO C[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)Cn1cc[nH+]c1 ZINC000165166495 327076946 /nfs/dbraw/zinc/07/69/46/327076946.db2.gz FHPVMJRWOIDJRX-CYBMUJFWSA-N 1 2 354.370 2.043 20 5 FEBDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)S1 ZINC000177187691 327504771 /nfs/dbraw/zinc/50/47/71/327504771.db2.gz MLOGWLKIUWRUNT-SNVBAGLBSA-N 1 2 368.846 2.497 20 5 FEBDLO CCOc1cc(NC(=O)NCc2[nH+]ccn2C)c([N+](=O)[O-])cc1OCC ZINC000264189904 328998280 /nfs/dbraw/zinc/99/82/80/328998280.db2.gz NZPFCCJNMZQZRQ-UHFFFAOYSA-N 1 2 363.374 2.447 20 5 FEBDLO Cc1cc(NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)ncc1[N+](=O)[O-] ZINC000266837140 329264386 /nfs/dbraw/zinc/26/43/86/329264386.db2.gz KMKOHCQHYZGSPW-UHFFFAOYSA-N 1 2 370.413 2.007 20 5 FEBDLO C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H](C)[NH+]1CCOCC1 ZINC000268171298 329392864 /nfs/dbraw/zinc/39/28/64/329392864.db2.gz PUJYSWOLHMDFRK-VXGBXAGGSA-N 1 2 370.837 2.157 20 5 FEBDLO CC(C)(CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCOCC1 ZINC000268357722 329411483 /nfs/dbraw/zinc/41/14/83/329411483.db2.gz SQBSBDIMCMTILL-UHFFFAOYSA-N 1 2 370.837 2.158 20 5 FEBDLO COc1ccc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000272892735 329821537 /nfs/dbraw/zinc/82/15/37/329821537.db2.gz YXTUMVFFTQIHQI-UHFFFAOYSA-N 1 2 371.397 2.348 20 5 FEBDLO C[C@H]([C@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000273929399 329903321 /nfs/dbraw/zinc/90/33/21/329903321.db2.gz HOUBCTGNDYWQMX-QWHCGFSZSA-N 1 2 367.421 2.237 20 5 FEBDLO Cc1n[nH]c(C(=O)N2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)c1[N+](=O)[O-] ZINC000275746178 330084226 /nfs/dbraw/zinc/08/42/26/330084226.db2.gz UGIPGSFXZOVCHE-GFCCVEGCSA-N 1 2 358.402 2.097 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCCNc1cccc[nH+]1 ZINC000276107044 330119974 /nfs/dbraw/zinc/11/99/74/330119974.db2.gz UZDIUVKKDPRUNT-UHFFFAOYSA-N 1 2 350.400 2.307 20 5 FEBDLO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000157613436 545761237 /nfs/dbraw/zinc/76/12/37/545761237.db2.gz CLBHIHMNCFNSQU-CQSZACIVSA-N 1 2 350.396 2.474 20 5 FEBDLO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000157613436 545761240 /nfs/dbraw/zinc/76/12/40/545761240.db2.gz CLBHIHMNCFNSQU-CQSZACIVSA-N 1 2 350.396 2.474 20 5 FEBDLO CCOCCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000157634397 545763625 /nfs/dbraw/zinc/76/36/25/545763625.db2.gz JNQXTAXYCMCGIM-KBPBESRZSA-N 1 2 351.403 2.049 20 5 FEBDLO CCOCCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000157634397 545763630 /nfs/dbraw/zinc/76/36/30/545763630.db2.gz JNQXTAXYCMCGIM-KBPBESRZSA-N 1 2 351.403 2.049 20 5 FEBDLO CC(C)C(=O)NCC[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000157648946 545764663 /nfs/dbraw/zinc/76/46/63/545764663.db2.gz PBGJQTASLPZKQB-GFCCVEGCSA-N 1 2 361.402 2.410 20 5 FEBDLO CC(C)C(=O)NCC[N@@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000157648946 545764668 /nfs/dbraw/zinc/76/46/68/545764668.db2.gz PBGJQTASLPZKQB-GFCCVEGCSA-N 1 2 361.402 2.410 20 5 FEBDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNc2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC000480222992 561205302 /nfs/dbraw/zinc/20/53/02/561205302.db2.gz JOQUVINDEVXIOK-STQMWFEESA-N 1 2 368.800 2.401 20 5 FEBDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNc2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC000480222992 561205303 /nfs/dbraw/zinc/20/53/03/561205303.db2.gz JOQUVINDEVXIOK-STQMWFEESA-N 1 2 368.800 2.401 20 5 FEBDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176248651 546424253 /nfs/dbraw/zinc/42/42/53/546424253.db2.gz BXUYBTIBIJJUKE-HNNXBMFYSA-N 1 2 373.413 2.211 20 5 FEBDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176248651 546424256 /nfs/dbraw/zinc/42/42/56/546424256.db2.gz BXUYBTIBIJJUKE-HNNXBMFYSA-N 1 2 373.413 2.211 20 5 FEBDLO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000179505932 546966602 /nfs/dbraw/zinc/96/66/02/546966602.db2.gz YGCQKEKBFPFDPB-CQSZACIVSA-N 1 2 370.413 2.069 20 5 FEBDLO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000179505932 546966607 /nfs/dbraw/zinc/96/66/07/546966607.db2.gz YGCQKEKBFPFDPB-CQSZACIVSA-N 1 2 370.413 2.069 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180513334 547121701 /nfs/dbraw/zinc/12/17/01/547121701.db2.gz FAJXPURABHIWKF-UHFFFAOYSA-N 1 2 354.370 2.050 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000483056518 561266145 /nfs/dbraw/zinc/26/61/45/561266145.db2.gz LEHUFVUEBUZDSQ-HIFRSBDPSA-N 1 2 363.414 2.192 20 5 FEBDLO COc1cc(C[N@@H+]2CCOCC3(CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000184404420 547822200 /nfs/dbraw/zinc/82/22/00/547822200.db2.gz IIFYDYFSJBZMGJ-UHFFFAOYSA-N 1 2 354.378 2.372 20 5 FEBDLO COc1cc(C[N@H+]2CCOCC3(CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000184404420 547822202 /nfs/dbraw/zinc/82/22/02/547822202.db2.gz IIFYDYFSJBZMGJ-UHFFFAOYSA-N 1 2 354.378 2.372 20 5 FEBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000184661787 547861728 /nfs/dbraw/zinc/86/17/28/547861728.db2.gz DNLHAJUZQPIARA-AWEZNQCLSA-N 1 2 350.400 2.375 20 5 FEBDLO O=C(COc1cccc([N+](=O)[O-])c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186487783 548142732 /nfs/dbraw/zinc/14/27/32/548142732.db2.gz NQPPSMMBTVKMSQ-UHFFFAOYSA-N 1 2 356.382 2.108 20 5 FEBDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486001958 561334721 /nfs/dbraw/zinc/33/47/21/561334721.db2.gz IEQGIXXEKQDQCQ-MRXNPFEDSA-N 1 2 373.413 2.192 20 5 FEBDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486001958 561334722 /nfs/dbraw/zinc/33/47/22/561334722.db2.gz IEQGIXXEKQDQCQ-MRXNPFEDSA-N 1 2 373.413 2.192 20 5 FEBDLO CCO[C@@H]1C[C@H](Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1OC ZINC000486013617 561335243 /nfs/dbraw/zinc/33/52/43/561335243.db2.gz DSQOYNXZQRMXOC-UXLLHSPISA-N 1 2 358.398 2.386 20 5 FEBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCCCNc1cccc[nH+]1 ZINC000486386603 561345868 /nfs/dbraw/zinc/34/58/68/561345868.db2.gz FYLAKNNRPBBNCD-UHFFFAOYSA-N 1 2 350.325 2.429 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C)c2[nH+]cccc21 ZINC000487135413 561364671 /nfs/dbraw/zinc/36/46/71/561364671.db2.gz MLGJODFWRTUBIL-UHFFFAOYSA-N 1 2 362.411 2.197 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2[C@H](C)CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000245739886 548986256 /nfs/dbraw/zinc/98/62/56/548986256.db2.gz RJFLOXDWFOLYTA-OLZOCXBDSA-N 1 2 351.403 2.167 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2[C@H](C)CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000245739886 548986259 /nfs/dbraw/zinc/98/62/59/548986259.db2.gz RJFLOXDWFOLYTA-OLZOCXBDSA-N 1 2 351.403 2.167 20 5 FEBDLO CC1(C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H]2CCO[C@H]21 ZINC000246998862 549261716 /nfs/dbraw/zinc/26/17/16/549261716.db2.gz ICCYJNRTMNVZIB-APHBMKBZSA-N 1 2 356.382 2.324 20 5 FEBDLO C[C@@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000247368943 549325179 /nfs/dbraw/zinc/32/51/79/549325179.db2.gz HPRNCBBQXYHMIV-TZMCWYRMSA-N 1 2 350.400 2.063 20 5 FEBDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)[nH]1 ZINC000268529156 550082528 /nfs/dbraw/zinc/08/25/28/550082528.db2.gz YOPOAYYPISHTTL-CYBMUJFWSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)[nH]1 ZINC000268529156 550082529 /nfs/dbraw/zinc/08/25/29/550082529.db2.gz YOPOAYYPISHTTL-CYBMUJFWSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)n1 ZINC000268529156 550082530 /nfs/dbraw/zinc/08/25/30/550082530.db2.gz YOPOAYYPISHTTL-CYBMUJFWSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)n1 ZINC000268529156 550082532 /nfs/dbraw/zinc/08/25/32/550082532.db2.gz YOPOAYYPISHTTL-CYBMUJFWSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)n[nH]1 ZINC000268529156 550082534 /nfs/dbraw/zinc/08/25/34/550082534.db2.gz YOPOAYYPISHTTL-CYBMUJFWSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)n[nH]1 ZINC000268529156 550082535 /nfs/dbraw/zinc/08/25/35/550082535.db2.gz YOPOAYYPISHTTL-CYBMUJFWSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1nn(C)c(C(=O)N(C)[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1[N+](=O)[O-] ZINC000492786287 561452608 /nfs/dbraw/zinc/45/26/08/561452608.db2.gz XYSILTXUCOJOAY-CQSZACIVSA-N 1 2 354.370 2.221 20 5 FEBDLO CCCNC(=O)C[N@H+](CCC)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271142557 550344293 /nfs/dbraw/zinc/34/42/93/550344293.db2.gz YKJGXLBPGCZWNM-UHFFFAOYSA-N 1 2 353.419 2.350 20 5 FEBDLO CCCNC(=O)C[N@@H+](CCC)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271142557 550344295 /nfs/dbraw/zinc/34/42/95/550344295.db2.gz YKJGXLBPGCZWNM-UHFFFAOYSA-N 1 2 353.419 2.350 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494253724 561465847 /nfs/dbraw/zinc/46/58/47/561465847.db2.gz KFYOHBMZJXSFNV-UHFFFAOYSA-N 1 2 361.373 2.475 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494253724 561465848 /nfs/dbraw/zinc/46/58/48/561465848.db2.gz KFYOHBMZJXSFNV-UHFFFAOYSA-N 1 2 361.373 2.475 20 5 FEBDLO C[C@H]1c2nncn2CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000276730985 550589867 /nfs/dbraw/zinc/58/98/67/550589867.db2.gz BNVFCMPBTXNDAN-LBPRGKRZSA-N 1 2 354.370 2.461 20 5 FEBDLO C[C@H]1c2nncn2CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000276730985 550589869 /nfs/dbraw/zinc/58/98/69/550589869.db2.gz BNVFCMPBTXNDAN-LBPRGKRZSA-N 1 2 354.370 2.461 20 5 FEBDLO CCOc1cc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000276840682 550602071 /nfs/dbraw/zinc/60/20/71/550602071.db2.gz CCRZIJPMQQOYGG-CQSZACIVSA-N 1 2 354.428 2.145 20 5 FEBDLO CCOc1cc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000276840682 550602073 /nfs/dbraw/zinc/60/20/73/550602073.db2.gz CCRZIJPMQQOYGG-CQSZACIVSA-N 1 2 354.428 2.145 20 5 FEBDLO COC(=O)/C=C/c1ccc(NCC2([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000277311766 550654864 /nfs/dbraw/zinc/65/48/64/550654864.db2.gz CNSDTVAUWYHQOK-HWKANZROSA-N 1 2 361.398 2.058 20 5 FEBDLO CC(C)c1[nH]nc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1[N+](=O)[O-] ZINC000278016267 550739253 /nfs/dbraw/zinc/73/92/53/550739253.db2.gz JMPLTXGFCKPZNO-WDEREUQCSA-N 1 2 362.390 2.417 20 5 FEBDLO CC(C)c1[nH]nc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1[N+](=O)[O-] ZINC000278016267 550739255 /nfs/dbraw/zinc/73/92/55/550739255.db2.gz JMPLTXGFCKPZNO-WDEREUQCSA-N 1 2 362.390 2.417 20 5 FEBDLO COc1ccc(C[NH2+]Cc2c(Br)cnn2C)cc1[N+](=O)[O-] ZINC000278280725 550768258 /nfs/dbraw/zinc/76/82/58/550768258.db2.gz AMFXEBSNAAQQES-UHFFFAOYSA-N 1 2 355.192 2.389 20 5 FEBDLO O=[N+]([O-])c1ccccc1OCc1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000278227546 550762903 /nfs/dbraw/zinc/76/29/03/550762903.db2.gz YEMQGZYBBZNZNF-IUODEOHRSA-N 1 2 360.370 2.483 20 5 FEBDLO O=[N+]([O-])c1ccccc1OCc1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000278227546 550762904 /nfs/dbraw/zinc/76/29/04/550762904.db2.gz YEMQGZYBBZNZNF-IUODEOHRSA-N 1 2 360.370 2.483 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279035736 550849317 /nfs/dbraw/zinc/84/93/17/550849317.db2.gz FECUSBJHLSYNQS-CQSZACIVSA-N 1 2 363.414 2.112 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279035736 550849318 /nfs/dbraw/zinc/84/93/18/550849318.db2.gz FECUSBJHLSYNQS-CQSZACIVSA-N 1 2 363.414 2.112 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000279221912 550866716 /nfs/dbraw/zinc/86/67/16/550866716.db2.gz PBDAMFMLLXVBMB-UHFFFAOYSA-N 1 2 357.374 2.071 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@]2(CCOC2)O1 ZINC000280242449 550973929 /nfs/dbraw/zinc/97/39/29/550973929.db2.gz BAELDEOYBHLXFV-PXAZEXFGSA-N 1 2 360.370 2.025 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@]2(CCOC2)O1 ZINC000280242449 550973930 /nfs/dbraw/zinc/97/39/30/550973930.db2.gz BAELDEOYBHLXFV-PXAZEXFGSA-N 1 2 360.370 2.025 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000280251012 550974448 /nfs/dbraw/zinc/97/44/48/550974448.db2.gz BXXDEGBXXNAZIM-SUNYJGFJSA-N 1 2 363.414 2.110 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000280251012 550974449 /nfs/dbraw/zinc/97/44/49/550974449.db2.gz BXXDEGBXXNAZIM-SUNYJGFJSA-N 1 2 363.414 2.110 20 5 FEBDLO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282850669 551277759 /nfs/dbraw/zinc/27/77/59/551277759.db2.gz SBIWMIWANVZBQP-GFCCVEGCSA-N 1 2 371.397 2.248 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000497949761 561512111 /nfs/dbraw/zinc/51/21/11/561512111.db2.gz KYLXNPWDGAIILA-QWHCGFSZSA-N 1 2 355.460 2.260 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000497949761 561512112 /nfs/dbraw/zinc/51/21/12/561512112.db2.gz KYLXNPWDGAIILA-QWHCGFSZSA-N 1 2 355.460 2.260 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000285470773 551761151 /nfs/dbraw/zinc/76/11/51/551761151.db2.gz QFEXABQCWHHYRJ-IAOVAPTHSA-N 1 2 362.430 2.079 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000285470773 551761152 /nfs/dbraw/zinc/76/11/52/551761152.db2.gz QFEXABQCWHHYRJ-IAOVAPTHSA-N 1 2 362.430 2.079 20 5 FEBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285502630 551766339 /nfs/dbraw/zinc/76/63/39/551766339.db2.gz NHBBUEWVIWIQSK-ZDUSSCGKSA-N 1 2 364.402 2.086 20 5 FEBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285502630 551766340 /nfs/dbraw/zinc/76/63/40/551766340.db2.gz NHBBUEWVIWIQSK-ZDUSSCGKSA-N 1 2 364.402 2.086 20 5 FEBDLO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H](C)[S@]1=O ZINC000286074621 551845734 /nfs/dbraw/zinc/84/57/34/551845734.db2.gz SBECFCUPTACZKW-BPJJKHAOSA-N 1 2 371.434 2.294 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H](C)[S@]1=O ZINC000286074621 551845736 /nfs/dbraw/zinc/84/57/36/551845736.db2.gz SBECFCUPTACZKW-BPJJKHAOSA-N 1 2 371.434 2.294 20 5 FEBDLO COc1cc(CN2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000286189096 551859055 /nfs/dbraw/zinc/85/90/55/551859055.db2.gz XLCSSOKCFZOZPX-TZMCWYRMSA-N 1 2 353.394 2.038 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000287172270 551972754 /nfs/dbraw/zinc/97/27/54/551972754.db2.gz HAMPPHUGGOQLGA-STQMWFEESA-N 1 2 365.455 2.252 20 5 FEBDLO C[C@H]([C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[NH+]1CCOCC1 ZINC000289882486 552393708 /nfs/dbraw/zinc/39/37/08/552393708.db2.gz ZSNSFRZDOCOSBX-WDEREUQCSA-N 1 2 356.810 2.479 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000290079211 552424350 /nfs/dbraw/zinc/42/43/50/552424350.db2.gz YVVFFKQKVAQWCB-UKRRQHHQSA-N 1 2 373.413 2.382 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000290079211 552424352 /nfs/dbraw/zinc/42/43/52/552424352.db2.gz YVVFFKQKVAQWCB-UKRRQHHQSA-N 1 2 373.413 2.382 20 5 FEBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000292989820 552777941 /nfs/dbraw/zinc/77/79/41/552777941.db2.gz CARLXPHAQXXUHA-RBUKOAKNSA-N 1 2 367.405 2.011 20 5 FEBDLO CCn1cc[nH+]c1CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000295188704 552968088 /nfs/dbraw/zinc/96/80/88/552968088.db2.gz AEDZASNOHJNKAS-UHFFFAOYSA-N 1 2 362.770 2.082 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1(C)C ZINC000295461556 553010707 /nfs/dbraw/zinc/01/07/07/553010707.db2.gz ZQZCHNLYPHHSCL-CYBMUJFWSA-N 1 2 368.390 2.239 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295600856 553031798 /nfs/dbraw/zinc/03/17/98/553031798.db2.gz NBOHUYROZSKDLK-QWHCGFSZSA-N 1 2 364.402 2.084 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295600856 553031800 /nfs/dbraw/zinc/03/18/00/553031800.db2.gz NBOHUYROZSKDLK-QWHCGFSZSA-N 1 2 364.402 2.084 20 5 FEBDLO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000295607269 553032711 /nfs/dbraw/zinc/03/27/11/553032711.db2.gz NNGZKVMAMWSRJU-ZJWNCGCPSA-N 1 2 368.455 2.432 20 5 FEBDLO Cc1nc(N(C)C[C@@H]2OCC[N@H+](C)[C@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000295682128 553044041 /nfs/dbraw/zinc/04/40/41/553044041.db2.gz MJHONGQRNQMSQL-IRXDYDNUSA-N 1 2 357.414 2.201 20 5 FEBDLO Cc1nc(N(C)C[C@@H]2OCC[N@@H+](C)[C@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000295682128 553044042 /nfs/dbraw/zinc/04/40/42/553044042.db2.gz MJHONGQRNQMSQL-IRXDYDNUSA-N 1 2 357.414 2.201 20 5 FEBDLO CC(C)(C)OC(=O)CCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000297562064 553309321 /nfs/dbraw/zinc/30/93/21/553309321.db2.gz BGEHKLWUHACUAK-UHFFFAOYSA-N 1 2 350.419 2.234 20 5 FEBDLO O=[N+]([O-])c1ccc(NCc2ccc(C[NH+]3CCS(=O)CC3)cc2)nc1 ZINC000601178120 553356853 /nfs/dbraw/zinc/35/68/53/553356853.db2.gz LVNFWJSKXRFRKD-UHFFFAOYSA-N 1 2 360.439 2.166 20 5 FEBDLO CC(C)N(C(=O)[C@@H](C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)C(C)C ZINC000298109930 553385665 /nfs/dbraw/zinc/38/56/65/553385665.db2.gz OGOJTEBNGHHGKY-OAHLLOKOSA-N 1 2 363.462 2.146 20 5 FEBDLO CCOC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000298737194 553466225 /nfs/dbraw/zinc/46/62/25/553466225.db2.gz IVMULGGFACUSJW-OLZOCXBDSA-N 1 2 364.402 2.132 20 5 FEBDLO CCOC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000298737194 553466226 /nfs/dbraw/zinc/46/62/26/553466226.db2.gz IVMULGGFACUSJW-OLZOCXBDSA-N 1 2 364.402 2.132 20 5 FEBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000505192491 561667665 /nfs/dbraw/zinc/66/76/65/561667665.db2.gz WQSFQLLAUVLQNB-INIZCTEOSA-N 1 2 367.833 2.365 20 5 FEBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000505192491 561667666 /nfs/dbraw/zinc/66/76/66/561667666.db2.gz WQSFQLLAUVLQNB-INIZCTEOSA-N 1 2 367.833 2.365 20 5 FEBDLO Cc1cccc(N2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000302496613 553718992 /nfs/dbraw/zinc/71/89/92/553718992.db2.gz MPASSUSYURNTHV-GOSISDBHSA-N 1 2 354.410 2.252 20 5 FEBDLO COC(=O)c1cnc(NCCc2[nH+]c3ccc(F)cc3n2C)c([N+](=O)[O-])c1 ZINC000302786642 553732585 /nfs/dbraw/zinc/73/25/85/553732585.db2.gz WKALHFZLWRUNMN-UHFFFAOYSA-N 1 2 373.344 2.457 20 5 FEBDLO Nc1nc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH+]c2ccccc12 ZINC000302801054 553733753 /nfs/dbraw/zinc/73/37/53/553733753.db2.gz TWYKMDUGGVKONX-NSHDSACASA-N 1 2 351.370 2.206 20 5 FEBDLO CC(C)SCC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000330431719 554121313 /nfs/dbraw/zinc/12/13/13/554121313.db2.gz MFHUYWMLWAPRLJ-UHFFFAOYSA-N 1 2 373.500 2.043 20 5 FEBDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000331598795 554291907 /nfs/dbraw/zinc/29/19/07/554291907.db2.gz QHSYWGDVGICSCA-HBUWYVDXSA-N 1 2 363.414 2.192 20 5 FEBDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000331598795 554291909 /nfs/dbraw/zinc/29/19/09/554291909.db2.gz QHSYWGDVGICSCA-HBUWYVDXSA-N 1 2 363.414 2.192 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c1 ZINC000332555490 554470844 /nfs/dbraw/zinc/47/08/44/554470844.db2.gz SMGXILMRAIPXDQ-DZGCQCFKSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)c1 ZINC000332555490 554470846 /nfs/dbraw/zinc/47/08/46/554470846.db2.gz SMGXILMRAIPXDQ-DZGCQCFKSA-N 1 2 367.471 2.459 20 5 FEBDLO O=[N+]([O-])c1ccc2ncnc(NCc3ccc(N4CCOCC4)[nH+]c3)c2c1 ZINC000611704108 554668862 /nfs/dbraw/zinc/66/88/62/554668862.db2.gz XOBHRHNNFPTRTF-UHFFFAOYSA-N 1 2 366.381 2.382 20 5 FEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000511240542 561862360 /nfs/dbraw/zinc/86/23/60/561862360.db2.gz LHVBPKDGYMZCRK-JTQLQIEISA-N 1 2 361.851 2.271 20 5 FEBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000511240542 561862361 /nfs/dbraw/zinc/86/23/61/561862361.db2.gz LHVBPKDGYMZCRK-JTQLQIEISA-N 1 2 361.851 2.271 20 5 FEBDLO CNc1nc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000351090385 554836027 /nfs/dbraw/zinc/83/60/27/554836027.db2.gz MREJJPZCDDIHON-ZWNOBZJWSA-N 1 2 360.374 2.007 20 5 FEBDLO CNc1nc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000351090385 554836030 /nfs/dbraw/zinc/83/60/30/554836030.db2.gz MREJJPZCDDIHON-ZWNOBZJWSA-N 1 2 360.374 2.007 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNc1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)CCC2 ZINC000361185916 554908593 /nfs/dbraw/zinc/90/85/93/554908593.db2.gz BCBSWHCOAJQYKF-NSHDSACASA-N 1 2 357.370 2.420 20 5 FEBDLO CCc1nc(C[N@H+]2C[C@H]3CN(c4ccc([N+](=O)[O-])cc4F)C[C@H]3C2)no1 ZINC000361770911 554933591 /nfs/dbraw/zinc/93/35/91/554933591.db2.gz YNSULIGFADTCGH-TXEJJXNPSA-N 1 2 361.377 2.248 20 5 FEBDLO CCc1nc(C[N@@H+]2C[C@H]3CN(c4ccc([N+](=O)[O-])cc4F)C[C@H]3C2)no1 ZINC000361770911 554933594 /nfs/dbraw/zinc/93/35/94/554933594.db2.gz YNSULIGFADTCGH-TXEJJXNPSA-N 1 2 361.377 2.248 20 5 FEBDLO CCOC(=O)c1cc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc([N+](=O)[O-])c1 ZINC000363432885 555104352 /nfs/dbraw/zinc/10/43/52/555104352.db2.gz QPZZXZUTOQCQHB-GFCCVEGCSA-N 1 2 372.381 2.135 20 5 FEBDLO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000363467199 555112707 /nfs/dbraw/zinc/11/27/07/555112707.db2.gz INRHLXRJHRUWDA-IAGOWNOFSA-N 1 2 374.441 2.399 20 5 FEBDLO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000363467199 555112709 /nfs/dbraw/zinc/11/27/09/555112709.db2.gz INRHLXRJHRUWDA-IAGOWNOFSA-N 1 2 374.441 2.399 20 5 FEBDLO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000363801177 555189114 /nfs/dbraw/zinc/18/91/14/555189114.db2.gz BCIFAYHKLHZIDI-LSDHHAIUSA-N 1 2 369.368 2.246 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000364636239 555359279 /nfs/dbraw/zinc/35/92/79/555359279.db2.gz VTJCSMPOOYPGAR-SJLPKXTDSA-N 1 2 358.394 2.408 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000364636239 555359280 /nfs/dbraw/zinc/35/92/80/555359280.db2.gz VTJCSMPOOYPGAR-SJLPKXTDSA-N 1 2 358.394 2.408 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc3c(c([N+](=O)[O-])c1)OCO3)CCC2 ZINC000364997225 555460923 /nfs/dbraw/zinc/46/09/23/555460923.db2.gz WUNPBBPPSAEUNO-LLVKDONJSA-N 1 2 358.354 2.136 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000365674665 555637437 /nfs/dbraw/zinc/63/74/37/555637437.db2.gz IPGNMBRKWRFHKL-CXAGYDPISA-N 1 2 356.382 2.470 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000365674665 555637439 /nfs/dbraw/zinc/63/74/39/555637439.db2.gz IPGNMBRKWRFHKL-CXAGYDPISA-N 1 2 356.382 2.470 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000366395550 555832476 /nfs/dbraw/zinc/83/24/76/555832476.db2.gz GUFDWWAZRTZLLX-AWEZNQCLSA-N 1 2 356.444 2.393 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000366395550 555832477 /nfs/dbraw/zinc/83/24/77/555832477.db2.gz GUFDWWAZRTZLLX-AWEZNQCLSA-N 1 2 356.444 2.393 20 5 FEBDLO O=[N+]([O-])c1cc2c(cc1CNc1ccc(N3CCOCC3)c[nH+]1)OCCO2 ZINC000619844659 555843465 /nfs/dbraw/zinc/84/34/65/555843465.db2.gz IQFWJRWEGKISEC-UHFFFAOYSA-N 1 2 372.381 2.210 20 5 FEBDLO C[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000514208140 561963531 /nfs/dbraw/zinc/96/35/31/561963531.db2.gz JQGBSTKEYDTQOS-QWRGUYRKSA-N 1 2 373.356 2.035 20 5 FEBDLO Cc1cc(OCC(=O)N2CCCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000366648618 555898783 /nfs/dbraw/zinc/89/87/83/555898783.db2.gz UOLKVLGEVYDMRA-UHFFFAOYSA-N 1 2 370.409 2.416 20 5 FEBDLO Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)c(C)c[nH+]1 ZINC000367332932 556020626 /nfs/dbraw/zinc/02/06/26/556020626.db2.gz KIOIZOHYEDSEAE-LBPRGKRZSA-N 1 2 372.356 2.159 20 5 FEBDLO COc1cc(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cncnc2)ccc1[N+](=O)[O-] ZINC000367816799 556146421 /nfs/dbraw/zinc/14/64/21/556146421.db2.gz VPJLJEGTORYMDK-ZFWWWQNUSA-N 1 2 361.377 2.418 20 5 FEBDLO COc1cc(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cncnc2)ccc1[N+](=O)[O-] ZINC000367816799 556146424 /nfs/dbraw/zinc/14/64/24/556146424.db2.gz VPJLJEGTORYMDK-ZFWWWQNUSA-N 1 2 361.377 2.418 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1(C)C ZINC000514920239 561986531 /nfs/dbraw/zinc/98/65/31/561986531.db2.gz BVWAIITUMKZBAC-OAHLLOKOSA-N 1 2 372.381 2.323 20 5 FEBDLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000515030536 561992741 /nfs/dbraw/zinc/99/27/41/561992741.db2.gz CDRISOCSOLJQMG-UHFFFAOYSA-N 1 2 360.439 2.208 20 5 FEBDLO O=C(Nc1ncccc1C[NH+]1CCc2ccccc2CC1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000368556453 556344544 /nfs/dbraw/zinc/34/45/44/556344544.db2.gz XCZWQWCYNURRCT-ZWKOTPCHSA-N 1 2 366.421 2.286 20 5 FEBDLO Cc1sc(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000515365449 562007386 /nfs/dbraw/zinc/00/73/86/562007386.db2.gz VAOKWCKIHZQTHA-ZDUSSCGKSA-N 1 2 355.460 2.441 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000369354447 556577589 /nfs/dbraw/zinc/57/75/89/556577589.db2.gz RTYKKLYEJXMUJV-NSHDSACASA-N 1 2 354.370 2.224 20 5 FEBDLO CC1(C)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@]2(CCOC2)O1 ZINC000369547729 556627448 /nfs/dbraw/zinc/62/74/48/556627448.db2.gz SZEIIZGTLDGBFM-SFHVURJKSA-N 1 2 374.397 2.415 20 5 FEBDLO CC1(C)C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@]2(CCOC2)O1 ZINC000369547729 556627450 /nfs/dbraw/zinc/62/74/50/556627450.db2.gz SZEIIZGTLDGBFM-SFHVURJKSA-N 1 2 374.397 2.415 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H]1c1ncon1 ZINC000516662414 562053536 /nfs/dbraw/zinc/05/35/36/562053536.db2.gz VLDOYKQPMDZQMO-CYBMUJFWSA-N 1 2 354.326 2.141 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000517787002 562098027 /nfs/dbraw/zinc/09/80/27/562098027.db2.gz JJYADOOKEKLXDG-UHFFFAOYSA-N 1 2 350.419 2.390 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000517787002 562098028 /nfs/dbraw/zinc/09/80/28/562098028.db2.gz JJYADOOKEKLXDG-UHFFFAOYSA-N 1 2 350.419 2.390 20 5 FEBDLO COc1cc(OCC(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)ccc1[N+](=O)[O-] ZINC000372251410 557421408 /nfs/dbraw/zinc/42/14/08/557421408.db2.gz JMUWZWLGHUQKKH-ZDUSSCGKSA-N 1 2 374.397 2.181 20 5 FEBDLO O=C1CCCN1C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000373209960 557650232 /nfs/dbraw/zinc/65/02/32/557650232.db2.gz NHAOIBNKHGIPQH-OAHLLOKOSA-N 1 2 362.386 2.480 20 5 FEBDLO O=C1CCCN1C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000373209960 557650233 /nfs/dbraw/zinc/65/02/33/557650233.db2.gz NHAOIBNKHGIPQH-OAHLLOKOSA-N 1 2 362.386 2.480 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000373808704 557763931 /nfs/dbraw/zinc/76/39/31/557763931.db2.gz BZQTWYXNHRVTHA-KBXCAEBGSA-N 1 2 363.414 2.112 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000373808704 557763934 /nfs/dbraw/zinc/76/39/34/557763934.db2.gz BZQTWYXNHRVTHA-KBXCAEBGSA-N 1 2 363.414 2.112 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000373939453 557791831 /nfs/dbraw/zinc/79/18/31/557791831.db2.gz SEPSHNFLVFESTQ-CYBMUJFWSA-N 1 2 371.397 2.212 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000373939453 557791833 /nfs/dbraw/zinc/79/18/33/557791833.db2.gz SEPSHNFLVFESTQ-CYBMUJFWSA-N 1 2 371.397 2.212 20 5 FEBDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000374013804 557807949 /nfs/dbraw/zinc/80/79/49/557807949.db2.gz JMXGSYUKFCIXKW-GLJUWKHASA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000374013804 557807953 /nfs/dbraw/zinc/80/79/53/557807953.db2.gz JMXGSYUKFCIXKW-GLJUWKHASA-N 1 2 363.414 2.192 20 5 FEBDLO O=C1CCCCN1C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000520957049 562166409 /nfs/dbraw/zinc/16/64/09/562166409.db2.gz CIEPEXFVGHZAOY-UHFFFAOYSA-N 1 2 357.414 2.448 20 5 FEBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374353735 557870288 /nfs/dbraw/zinc/87/02/88/557870288.db2.gz VZTZHVRUSDINGF-QGZVFWFLSA-N 1 2 367.409 2.351 20 5 FEBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccsc1 ZINC000521154630 562170460 /nfs/dbraw/zinc/17/04/60/562170460.db2.gz BNWKPTCTRGCEKR-CYBMUJFWSA-N 1 2 373.431 2.377 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](O)c3ccccc3C2)c([N+](=O)[O-])c1 ZINC000374815827 557935686 /nfs/dbraw/zinc/93/56/86/557935686.db2.gz DVEXOIIHPFQCHW-SFHVURJKSA-N 1 2 371.393 2.481 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](O)c3ccccc3C2)c([N+](=O)[O-])c1 ZINC000374815827 557935687 /nfs/dbraw/zinc/93/56/87/557935687.db2.gz DVEXOIIHPFQCHW-SFHVURJKSA-N 1 2 371.393 2.481 20 5 FEBDLO CC(=O)c1cc(NC[C@@]2([NH+]3CCOCC3)CCCOC2)ccc1[N+](=O)[O-] ZINC000376455568 558175747 /nfs/dbraw/zinc/17/57/47/558175747.db2.gz QXXCJWDHWSBEIU-SFHVURJKSA-N 1 2 363.414 2.091 20 5 FEBDLO CCCc1n[nH]c(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000376754104 558217166 /nfs/dbraw/zinc/21/71/66/558217166.db2.gz QELKCYATIJYJLX-UHFFFAOYSA-N 1 2 358.402 2.064 20 5 FEBDLO O=C(NC[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000377164055 558279621 /nfs/dbraw/zinc/27/96/21/558279621.db2.gz FYBRYKMQAUGBRD-OAHLLOKOSA-N 1 2 370.409 2.337 20 5 FEBDLO O=C(NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000377164055 558279622 /nfs/dbraw/zinc/27/96/22/558279622.db2.gz FYBRYKMQAUGBRD-OAHLLOKOSA-N 1 2 370.409 2.337 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000377295407 558308754 /nfs/dbraw/zinc/30/87/54/558308754.db2.gz ZOFBZQHMNFSDHQ-UHFFFAOYSA-N 1 2 364.427 2.257 20 5 FEBDLO CCOc1ccc(C(=O)Nc2c[nH+]ccc2-n2ccnn2)cc1[N+](=O)[O-] ZINC000377421327 558337019 /nfs/dbraw/zinc/33/70/19/558337019.db2.gz SQLNERHRCIKWHQ-UHFFFAOYSA-N 1 2 354.326 2.222 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1cc[nH]n1 ZINC000377780358 558418611 /nfs/dbraw/zinc/41/86/11/558418611.db2.gz BRVOBRRMIVRNQC-AWEZNQCLSA-N 1 2 352.354 2.481 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CCC2 ZINC000378253659 558512663 /nfs/dbraw/zinc/51/26/63/558512663.db2.gz REYIGKCOSQQAJI-NSHDSACASA-N 1 2 368.390 2.095 20 5 FEBDLO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378521488 558574477 /nfs/dbraw/zinc/57/44/77/558574477.db2.gz PVSFCOYCDVWYGU-HNNXBMFYSA-N 1 2 352.354 2.481 20 5 FEBDLO Cc1cc(NC(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000411467237 558899682 /nfs/dbraw/zinc/89/96/82/558899682.db2.gz WNAXKAVITONDQE-UHFFFAOYSA-N 1 2 371.397 2.033 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000411579191 558921524 /nfs/dbraw/zinc/92/15/24/558921524.db2.gz CZKJBGQWHCQYQE-AAEUAGOBSA-N 1 2 357.370 2.169 20 5 FEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000411583310 558922927 /nfs/dbraw/zinc/92/29/27/558922927.db2.gz NXDVXHFTRIPFQH-LBPRGKRZSA-N 1 2 359.386 2.244 20 5 FEBDLO Cn1cc(-c2ncc(C[N@@H+]3CCc4c(cccc4[N+](=O)[O-])C3)cn2)cn1 ZINC000525977953 562261885 /nfs/dbraw/zinc/26/18/85/562261885.db2.gz OIYXNQNJCNPRJK-UHFFFAOYSA-N 1 2 350.382 2.344 20 5 FEBDLO Cn1cc(-c2ncc(C[N@H+]3CCc4c(cccc4[N+](=O)[O-])C3)cn2)cn1 ZINC000525977953 562261886 /nfs/dbraw/zinc/26/18/86/562261886.db2.gz OIYXNQNJCNPRJK-UHFFFAOYSA-N 1 2 350.382 2.344 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1csnn1 ZINC000412034764 559004378 /nfs/dbraw/zinc/00/43/78/559004378.db2.gz GMQVAQCRODECQW-SECBINFHSA-N 1 2 351.388 2.134 20 5 FEBDLO Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000412327121 559028109 /nfs/dbraw/zinc/02/81/09/559028109.db2.gz AYTJOGOMLXSTLT-UHFFFAOYSA-N 1 2 354.370 2.022 20 5 FEBDLO CCS(=O)(=O)NC1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413051497 559072747 /nfs/dbraw/zinc/07/27/47/559072747.db2.gz LFXZQCAOAGKZTC-UHFFFAOYSA-N 1 2 364.427 2.051 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)c1 ZINC000416032070 559290049 /nfs/dbraw/zinc/29/00/49/559290049.db2.gz WRRPHRDJBMFAOA-UHFFFAOYSA-N 1 2 367.471 2.500 20 5 FEBDLO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000420582435 559492793 /nfs/dbraw/zinc/49/27/93/559492793.db2.gz JDIVNNWNPSVTAE-OAHLLOKOSA-N 1 2 370.409 2.007 20 5 FEBDLO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000420582435 559492794 /nfs/dbraw/zinc/49/27/94/559492794.db2.gz JDIVNNWNPSVTAE-OAHLLOKOSA-N 1 2 370.409 2.007 20 5 FEBDLO Cc1cc(NC[C@H]2CCN(C)C(=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000425271377 559694272 /nfs/dbraw/zinc/69/42/72/559694272.db2.gz YDAUPAKGYUIPCE-ZDUSSCGKSA-N 1 2 355.398 2.062 20 5 FEBDLO CC[C@H]1C[N@H+](CCNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000426037086 559728174 /nfs/dbraw/zinc/72/81/74/559728174.db2.gz QVQWIEZLLNRVQG-ZBFHGGJFSA-N 1 2 364.446 2.374 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000426037086 559728175 /nfs/dbraw/zinc/72/81/75/559728175.db2.gz QVQWIEZLLNRVQG-ZBFHGGJFSA-N 1 2 364.446 2.374 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)n1 ZINC000427768785 559761994 /nfs/dbraw/zinc/76/19/94/559761994.db2.gz FWXPCPBIXYESRI-TWGQIWQCSA-N 1 2 369.425 2.282 20 5 FEBDLO CCOC1(C)CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000428727253 559781943 /nfs/dbraw/zinc/78/19/43/559781943.db2.gz HKHPHDRPZWOXEL-UHFFFAOYSA-N 1 2 356.444 2.260 20 5 FEBDLO Cc1nc2[nH]ccc2c(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)[nH+]1 ZINC000433771705 559887540 /nfs/dbraw/zinc/88/75/40/559887540.db2.gz TWCQUBIEEAGHKM-UHFFFAOYSA-N 1 2 372.410 2.198 20 5 FEBDLO O=C(NC1CC1)[C@H](O)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000434709664 559907158 /nfs/dbraw/zinc/90/71/58/559907158.db2.gz HMFNGCAZCVJGOY-MRXNPFEDSA-N 1 2 367.833 2.100 20 5 FEBDLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCCO1 ZINC000439476016 559995154 /nfs/dbraw/zinc/99/51/54/559995154.db2.gz ZGEJFYPKXQPQTQ-STQMWFEESA-N 1 2 351.403 2.431 20 5 FEBDLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCCO1 ZINC000439476016 559995155 /nfs/dbraw/zinc/99/51/55/559995155.db2.gz ZGEJFYPKXQPQTQ-STQMWFEESA-N 1 2 351.403 2.431 20 5 FEBDLO Cc1cc(N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC000440643692 560015348 /nfs/dbraw/zinc/01/53/48/560015348.db2.gz GLQJVIQWPZXIIO-KRWDZBQOSA-N 1 2 350.419 2.198 20 5 FEBDLO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000447381214 560161054 /nfs/dbraw/zinc/16/10/54/560161054.db2.gz GFYKHEZGOOYVLI-DOMZBBRYSA-N 1 2 358.822 2.094 20 5 FEBDLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000447381214 560161055 /nfs/dbraw/zinc/16/10/55/560161055.db2.gz GFYKHEZGOOYVLI-DOMZBBRYSA-N 1 2 358.822 2.094 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000447659038 560166036 /nfs/dbraw/zinc/16/60/36/560166036.db2.gz ADEHHAZUYFEGOK-KBPBESRZSA-N 1 2 367.471 2.255 20 5 FEBDLO CCO[C@@H]1C[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])[C@@H]1OC ZINC000447815417 560169875 /nfs/dbraw/zinc/16/98/75/560169875.db2.gz FWXSCPJRKNDOPX-JQHSSLGASA-N 1 2 365.430 2.031 20 5 FEBDLO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000447941224 560174111 /nfs/dbraw/zinc/17/41/11/560174111.db2.gz JZNRNMBPOYYNJV-ZDUSSCGKSA-N 1 2 359.423 2.133 20 5 FEBDLO C[N@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000447941224 560174112 /nfs/dbraw/zinc/17/41/12/560174112.db2.gz JZNRNMBPOYYNJV-ZDUSSCGKSA-N 1 2 359.423 2.133 20 5 FEBDLO CCOc1cc(N2CC[NH+](Cc3c(C)nnn3CC)CC2)ccc1[N+](=O)[O-] ZINC000449293315 560223881 /nfs/dbraw/zinc/22/38/81/560223881.db2.gz HBJYEUGWWKKKLC-UHFFFAOYSA-N 1 2 374.445 2.236 20 5 FEBDLO CCc1cc(NC[C@H]2CCOC[C@H]2OC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450693129 560270278 /nfs/dbraw/zinc/27/02/78/560270278.db2.gz LYSHZKWGISUTQZ-RHSMWYFYSA-N 1 2 372.425 2.500 20 5 FEBDLO Cc1cc(C)c(CNc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])c[nH+]1 ZINC000450914379 560278301 /nfs/dbraw/zinc/27/83/01/560278301.db2.gz XCOFBKSHEQWSEZ-UHFFFAOYSA-N 1 2 364.427 2.469 20 5 FEBDLO COC(=O)[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCC1 ZINC000451343790 560301531 /nfs/dbraw/zinc/30/15/31/560301531.db2.gz PXDHARSQKZATGG-LBPRGKRZSA-N 1 2 372.381 2.337 20 5 FEBDLO CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451411154 560305238 /nfs/dbraw/zinc/30/52/38/560305238.db2.gz LBPJEEWLIBMSQO-KGLIPLIRSA-N 1 2 372.381 2.242 20 5 FEBDLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n(C)n1 ZINC000451548756 560313916 /nfs/dbraw/zinc/31/39/16/560313916.db2.gz OGZGSBVPLGXOIB-OAHLLOKOSA-N 1 2 357.414 2.455 20 5 FEBDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n(C)n1 ZINC000451548756 560313917 /nfs/dbraw/zinc/31/39/17/560313917.db2.gz OGZGSBVPLGXOIB-OAHLLOKOSA-N 1 2 357.414 2.455 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451647009 560319123 /nfs/dbraw/zinc/31/91/23/560319123.db2.gz HIYYDYMMFVVHJN-AWEZNQCLSA-N 1 2 351.428 2.369 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCSC[C@H]1C1CC1 ZINC000451647009 560319124 /nfs/dbraw/zinc/31/91/24/560319124.db2.gz HIYYDYMMFVVHJN-AWEZNQCLSA-N 1 2 351.428 2.369 20 5 FEBDLO CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)c4ccc([N+](=O)[O-])c(-n5cc[nH+]c5)c4)[C@H]1[C@H]3C2 ZINC000451680880 560321720 /nfs/dbraw/zinc/32/17/20/560321720.db2.gz ULNCSMJULRGTHC-TZUPDSNESA-N 1 2 368.393 2.276 20 5 FEBDLO C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c2[nH+]ccn21 ZINC000451935238 560339055 /nfs/dbraw/zinc/33/90/55/560339055.db2.gz DBHOPFFJAJGTAB-JQWIXIFHSA-N 1 2 373.394 2.324 20 5 FEBDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000451964544 560340894 /nfs/dbraw/zinc/34/08/94/560340894.db2.gz BIAGLECVNVCBCS-LLVKDONJSA-N 1 2 361.851 2.353 20 5 FEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000455472612 560483649 /nfs/dbraw/zinc/48/36/49/560483649.db2.gz MGNNTLFFILIZKD-GFCCVEGCSA-N 1 2 359.386 2.476 20 5 FEBDLO Cc1c(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000456404138 560519445 /nfs/dbraw/zinc/51/94/45/560519445.db2.gz WYWCPCAKZHWFDR-YGRLFVJLSA-N 1 2 367.369 2.116 20 5 FEBDLO Cc1cc(C)c(CNC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000456857323 560534528 /nfs/dbraw/zinc/53/45/28/560534528.db2.gz KTWBYWOXVGYONA-ZDUSSCGKSA-N 1 2 356.382 2.041 20 5 FEBDLO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000459655023 560700206 /nfs/dbraw/zinc/70/02/06/560700206.db2.gz ZQPCDRNJHPKBCI-UHFFFAOYSA-N 1 2 355.441 2.244 20 5 FEBDLO COc1ccc(-c2ccc(C[NH2+][C@@H](CO)c3ccnn3C)o2)c([N+](=O)[O-])c1 ZINC000459725047 560704631 /nfs/dbraw/zinc/70/46/31/560704631.db2.gz WXISEXWFJZJOSA-HNNXBMFYSA-N 1 2 372.381 2.420 20 5 FEBDLO O=[N+]([O-])c1ccccc1CCNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000467976836 560920414 /nfs/dbraw/zinc/92/04/14/560920414.db2.gz HKBAYRHQVVGXBV-OAHLLOKOSA-N 1 2 357.414 2.391 20 5 FEBDLO O=[N+]([O-])c1ccccc1CCNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000467976836 560920415 /nfs/dbraw/zinc/92/04/15/560920415.db2.gz HKBAYRHQVVGXBV-OAHLLOKOSA-N 1 2 357.414 2.391 20 5 FEBDLO CO[C@H](CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000470374430 560979954 /nfs/dbraw/zinc/97/99/54/560979954.db2.gz QJZXMBMUPBCXSS-CYBMUJFWSA-N 1 2 372.303 2.478 20 5 FEBDLO CC[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1[nH]cc[nH+]1 ZINC000470703953 560987865 /nfs/dbraw/zinc/98/78/65/560987865.db2.gz OVLZTJYTTYFVJD-GFCCVEGCSA-N 1 2 373.369 2.274 20 5 FEBDLO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])c1 ZINC000181936667 568232334 /nfs/dbraw/zinc/23/23/34/568232334.db2.gz PXCKLXQUVASKEY-LLVKDONJSA-N 1 2 367.402 2.493 20 5 FEBDLO COC(=O)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)CC1CC1 ZINC000569012843 568266558 /nfs/dbraw/zinc/26/65/58/568266558.db2.gz LJQNLTRIGQDQPI-AWEZNQCLSA-N 1 2 372.381 2.100 20 5 FEBDLO C[C@@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000809808243 674510882 /nfs/dbraw/zinc/51/08/82/674510882.db2.gz LKTTYAFNJLZWQN-VIFPVBQESA-N 1 2 365.814 2.150 20 5 FEBDLO CC(C)OCC[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000816942695 675088994 /nfs/dbraw/zinc/08/89/94/675088994.db2.gz XCTWURRBZTVFGK-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000609765802 675935298 /nfs/dbraw/zinc/93/52/98/675935298.db2.gz VTIWUDODHMHFIE-OLZOCXBDSA-N 1 2 353.444 2.061 20 5 FEBDLO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000609765802 675935299 /nfs/dbraw/zinc/93/52/99/675935299.db2.gz VTIWUDODHMHFIE-OLZOCXBDSA-N 1 2 353.444 2.061 20 5 FEBDLO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000609765804 675935376 /nfs/dbraw/zinc/93/53/76/675935376.db2.gz VTIWUDODHMHFIE-STQMWFEESA-N 1 2 353.444 2.061 20 5 FEBDLO C[C@H]1C[N@H+]2CCCC[C@H]2CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000609765804 675935378 /nfs/dbraw/zinc/93/53/78/675935378.db2.gz VTIWUDODHMHFIE-STQMWFEESA-N 1 2 353.444 2.061 20 5 FEBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595393505 673240856 /nfs/dbraw/zinc/24/08/56/673240856.db2.gz QLWWZVHKPMUNSB-HNNXBMFYSA-N 1 2 361.423 2.148 20 5 FEBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000595393505 673240857 /nfs/dbraw/zinc/24/08/57/673240857.db2.gz QLWWZVHKPMUNSB-HNNXBMFYSA-N 1 2 361.423 2.148 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1nnc(C)s1 ZINC000595885546 673334648 /nfs/dbraw/zinc/33/46/48/673334648.db2.gz ORNWANUAYXYQBU-UHFFFAOYSA-N 1 2 365.415 2.224 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1nnc(C)s1 ZINC000595885546 673334652 /nfs/dbraw/zinc/33/46/52/673334652.db2.gz ORNWANUAYXYQBU-UHFFFAOYSA-N 1 2 365.415 2.224 20 5 FEBDLO C[C@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000598000190 673528974 /nfs/dbraw/zinc/52/89/74/673528974.db2.gz YCTKRAMQLYMXKS-XQQFMLRXSA-N 1 2 353.394 2.063 20 5 FEBDLO C[C@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000598000190 673528978 /nfs/dbraw/zinc/52/89/78/673528978.db2.gz YCTKRAMQLYMXKS-XQQFMLRXSA-N 1 2 353.394 2.063 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)[S@@]4=O)o2)cc1 ZINC000599631948 673699557 /nfs/dbraw/zinc/69/95/57/673699557.db2.gz JZQORRBXABMUQX-PJGQNWHFSA-N 1 2 362.411 2.130 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[S@@]4=O)o2)cc1 ZINC000599631948 673699560 /nfs/dbraw/zinc/69/95/60/673699560.db2.gz JZQORRBXABMUQX-PJGQNWHFSA-N 1 2 362.411 2.130 20 5 FEBDLO O=C(NC1CC([NH+]2CCOCC2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000600068501 673738528 /nfs/dbraw/zinc/73/85/28/673738528.db2.gz FLPLYFHQLBXQMB-UHFFFAOYSA-N 1 2 361.423 2.403 20 5 FEBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000601226973 673834107 /nfs/dbraw/zinc/83/41/07/673834107.db2.gz WNAQUAIWOIIWMA-ZDUSSCGKSA-N 1 2 352.366 2.062 20 5 FEBDLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000601850795 673898704 /nfs/dbraw/zinc/89/87/04/673898704.db2.gz GONDXTLSKXRZAV-UHFFFAOYSA-N 1 2 358.423 2.473 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000618068222 676318222 /nfs/dbraw/zinc/31/82/22/676318222.db2.gz HXVFGVSJMHGKSO-LBPRGKRZSA-N 1 2 357.407 2.029 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000618068222 676318224 /nfs/dbraw/zinc/31/82/24/676318224.db2.gz HXVFGVSJMHGKSO-LBPRGKRZSA-N 1 2 357.407 2.029 20 5 FEBDLO CO[C@H]1C[C@@H]([N@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)C12CCC2 ZINC000840139623 680801764 /nfs/dbraw/zinc/80/17/64/680801764.db2.gz KCRIONFEXHYYSK-MNOVXSKESA-N 1 2 359.224 2.401 20 5 FEBDLO CO[C@H]1C[C@@H]([N@@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)C12CCC2 ZINC000840139623 680801765 /nfs/dbraw/zinc/80/17/65/680801765.db2.gz KCRIONFEXHYYSK-MNOVXSKESA-N 1 2 359.224 2.401 20 5 FEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000765737811 680853322 /nfs/dbraw/zinc/85/33/22/680853322.db2.gz HBJNAMMWRDLYLZ-MNOVXSKESA-N 1 2 361.851 2.351 20 5 FEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000765737811 680853323 /nfs/dbraw/zinc/85/33/23/680853323.db2.gz HBJNAMMWRDLYLZ-MNOVXSKESA-N 1 2 361.851 2.351 20 5 FEBDLO C[C@H](CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000840950842 680856425 /nfs/dbraw/zinc/85/64/25/680856425.db2.gz PDDMHKLQFTWYJG-SNVBAGLBSA-N 1 2 358.807 2.059 20 5 FEBDLO CC1(C)CN=C(N2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)S1 ZINC000754648999 680368305 /nfs/dbraw/zinc/36/83/05/680368305.db2.gz IKSCYSPIVMYLCU-UHFFFAOYSA-N 1 2 364.471 2.473 20 5 FEBDLO O=C(C[N@@H+]1CCc2cc[nH]c(=O)c2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000755203690 680404989 /nfs/dbraw/zinc/40/49/89/680404989.db2.gz DLJBNRVJUMWLOA-UHFFFAOYSA-N 1 2 362.773 2.346 20 5 FEBDLO O=C(C[N@H+]1CCc2cc[nH]c(=O)c2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000755203690 680404993 /nfs/dbraw/zinc/40/49/93/680404993.db2.gz DLJBNRVJUMWLOA-UHFFFAOYSA-N 1 2 362.773 2.346 20 5 FEBDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)c1C ZINC000768831557 680960241 /nfs/dbraw/zinc/96/02/41/680960241.db2.gz FFLIGKLZRMQOLE-UHFFFAOYSA-N 1 2 371.440 2.497 20 5 FEBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000843760973 681016828 /nfs/dbraw/zinc/01/68/28/681016828.db2.gz WTUUNMMENZQIMJ-HNNXBMFYSA-N 1 2 353.394 2.129 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)OCCn1cc[nH+]c1 ZINC000772003629 681078221 /nfs/dbraw/zinc/07/82/21/681078221.db2.gz UFFBOZTUXBJYKK-UHFFFAOYSA-N 1 2 354.160 2.340 20 5 FEBDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000845125055 681105201 /nfs/dbraw/zinc/10/52/01/681105201.db2.gz WNLYOGIUMFQSCB-OAHLLOKOSA-N 1 2 350.371 2.299 20 5 FEBDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000845125055 681105205 /nfs/dbraw/zinc/10/52/05/681105205.db2.gz WNLYOGIUMFQSCB-OAHLLOKOSA-N 1 2 350.371 2.299 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1F ZINC000847176198 681340085 /nfs/dbraw/zinc/34/00/85/681340085.db2.gz ACVAVYLZOPTNNQ-RWMBFGLXSA-N 1 2 353.394 2.270 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1F ZINC000847176198 681340087 /nfs/dbraw/zinc/34/00/87/681340087.db2.gz ACVAVYLZOPTNNQ-RWMBFGLXSA-N 1 2 353.394 2.270 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000778091580 681570155 /nfs/dbraw/zinc/57/01/55/681570155.db2.gz WOPXNPMKWXYSQP-SNVBAGLBSA-N 1 2 370.818 2.046 20 5 FEBDLO C[C@@H](CNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000848581138 681582048 /nfs/dbraw/zinc/58/20/48/681582048.db2.gz JQUNKPWVWNMQDC-NSHDSACASA-N 1 2 354.313 2.215 20 5 FEBDLO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000934751431 681621485 /nfs/dbraw/zinc/62/14/85/681621485.db2.gz YEIKQHKNABTWTH-HSZRJFAPSA-N 1 2 360.505 2.443 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000779921474 681771231 /nfs/dbraw/zinc/77/12/31/681771231.db2.gz TUFNIPINWYFGCE-GHMZBOCLSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000779921474 681771234 /nfs/dbraw/zinc/77/12/34/681771234.db2.gz TUFNIPINWYFGCE-GHMZBOCLSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)cc1Cl ZINC000913459977 685477838 /nfs/dbraw/zinc/47/78/38/685477838.db2.gz JOWNERBHHQKIFN-CQSZACIVSA-N 1 2 363.805 2.077 20 5 FEBDLO COC[C@H](C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)OC ZINC000852022569 682204348 /nfs/dbraw/zinc/20/43/48/682204348.db2.gz RMZJKJBTUUBGGV-JTQLQIEISA-N 1 2 359.220 2.377 20 5 FEBDLO COC[C@H](C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)OC ZINC000852022569 682204351 /nfs/dbraw/zinc/20/43/51/682204351.db2.gz RMZJKJBTUUBGGV-JTQLQIEISA-N 1 2 359.220 2.377 20 5 FEBDLO C[C@@H](NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000917015180 685529117 /nfs/dbraw/zinc/52/91/17/685529117.db2.gz FKCHGUQYWRXQEX-MCIONIFRSA-N 1 2 350.419 2.064 20 5 FEBDLO Cc1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1[N+](=O)[O-] ZINC000852147892 682227741 /nfs/dbraw/zinc/22/77/41/682227741.db2.gz MFRFHVJJEQBGLH-NEPJUHHUSA-N 1 2 352.391 2.332 20 5 FEBDLO Cc1noc(C[N@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1[N+](=O)[O-] ZINC000852147892 682227743 /nfs/dbraw/zinc/22/77/43/682227743.db2.gz MFRFHVJJEQBGLH-NEPJUHHUSA-N 1 2 352.391 2.332 20 5 FEBDLO COc1ccc(CSCC(=O)N[C@H]2CCn3c[nH+]cc32)cc1[N+](=O)[O-] ZINC000857989383 682930574 /nfs/dbraw/zinc/93/05/74/682930574.db2.gz QQMDGXJYWHFRSR-LBPRGKRZSA-N 1 2 362.411 2.294 20 5 FEBDLO CCOCC[N@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795442619 683054813 /nfs/dbraw/zinc/05/48/13/683054813.db2.gz ACVUFBBJXOVKDQ-UHFFFAOYSA-N 1 2 372.219 2.239 20 5 FEBDLO CCOCC[N@@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795442619 683054817 /nfs/dbraw/zinc/05/48/17/683054817.db2.gz ACVUFBBJXOVKDQ-UHFFFAOYSA-N 1 2 372.219 2.239 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861669786 683452970 /nfs/dbraw/zinc/45/29/70/683452970.db2.gz CSKNFICRJQGKAA-VXGBXAGGSA-N 1 2 353.806 2.183 20 5 FEBDLO CO[C@]1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCSC1 ZINC000928500966 683464134 /nfs/dbraw/zinc/46/41/34/683464134.db2.gz SCRFSPSAIARQLE-INIZCTEOSA-N 1 2 362.411 2.032 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)cc1F ZINC000866678565 684133168 /nfs/dbraw/zinc/13/31/68/684133168.db2.gz SWFFCZNSWUMXDV-UHFFFAOYSA-N 1 2 368.390 2.265 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000931494699 684291925 /nfs/dbraw/zinc/29/19/25/684291925.db2.gz ONCIFHSGUOFXFC-ZDUSSCGKSA-N 1 2 350.419 2.342 20 5 FEBDLO O=C(CCc1cc(F)ccc1[N+](=O)[O-])OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000923960880 684376017 /nfs/dbraw/zinc/37/60/17/684376017.db2.gz BITGEFNSHHHCMD-GASCZTMLSA-N 1 2 352.362 2.073 20 5 FEBDLO O=C(CCc1cc(F)ccc1[N+](=O)[O-])OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000923960880 684376023 /nfs/dbraw/zinc/37/60/23/684376023.db2.gz BITGEFNSHHHCMD-GASCZTMLSA-N 1 2 352.362 2.073 20 5 FEBDLO CC(C)(O)C[C@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000878570889 686610231 /nfs/dbraw/zinc/61/02/31/686610231.db2.gz IEOWCXABZJBYFC-JTQLQIEISA-N 1 2 373.247 2.237 20 5 FEBDLO CC(C)(O)C[C@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000878570889 686610235 /nfs/dbraw/zinc/61/02/35/686610235.db2.gz IEOWCXABZJBYFC-JTQLQIEISA-N 1 2 373.247 2.237 20 5 FEBDLO CO[C@H]1C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@](C)(CO)C1 ZINC000879261145 686782785 /nfs/dbraw/zinc/78/27/85/686782785.db2.gz FYKYSBDWCKJHQZ-BXUZGUMPSA-N 1 2 359.220 2.329 20 5 FEBDLO CO[C@H]1C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@](C)(CO)C1 ZINC000879261145 686782787 /nfs/dbraw/zinc/78/27/87/686782787.db2.gz FYKYSBDWCKJHQZ-BXUZGUMPSA-N 1 2 359.220 2.329 20 5 FEBDLO O=C(C[NH+]1CCC2(CC1)COCCO2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880542298 687059428 /nfs/dbraw/zinc/05/94/28/687059428.db2.gz VIUNTMFRONIYNH-UHFFFAOYSA-N 1 2 369.805 2.068 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886800963 688315159 /nfs/dbraw/zinc/31/51/59/688315159.db2.gz FOKQHWHZYLOTOJ-QMTHXVAHSA-N 1 2 361.320 2.169 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886800963 688315165 /nfs/dbraw/zinc/31/51/65/688315165.db2.gz FOKQHWHZYLOTOJ-QMTHXVAHSA-N 1 2 361.320 2.169 20 5 FEBDLO Nc1nc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)nc2ccccc12 ZINC000014322936 539601800 /nfs/dbraw/zinc/60/18/00/539601800.db2.gz YXQXNBQOWCQLIG-UHFFFAOYSA-N 1 2 364.409 2.442 20 5 FEBDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000024290043 539729082 /nfs/dbraw/zinc/72/90/82/539729082.db2.gz ZYYDACCVQJZRTJ-UHFFFAOYSA-N 1 2 359.382 2.463 20 5 FEBDLO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000027800090 539817630 /nfs/dbraw/zinc/81/76/30/539817630.db2.gz ADARWGMTMLTZNI-UHFFFAOYSA-N 1 2 369.377 2.282 20 5 FEBDLO O=[N+]([O-])c1ccc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c([N+](=O)[O-])c1 ZINC000029625795 539859168 /nfs/dbraw/zinc/85/91/68/539859168.db2.gz NMCUPWRPBXUJBA-HNNXBMFYSA-N 1 2 368.415 2.123 20 5 FEBDLO O=C(COc1ccc([N+](=O)[O-])cc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000030012324 539872847 /nfs/dbraw/zinc/87/28/47/539872847.db2.gz WWEUBODOONIPMS-UHFFFAOYSA-N 1 2 356.382 2.285 20 5 FEBDLO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000033044268 539965266 /nfs/dbraw/zinc/96/52/66/539965266.db2.gz ZKHUTOFMNAPBDV-UHFFFAOYSA-N 1 2 368.309 2.014 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000043127201 540089686 /nfs/dbraw/zinc/08/96/86/540089686.db2.gz RPXASIXRLIXAND-UHFFFAOYSA-N 1 2 357.370 2.353 20 5 FEBDLO Cc1cccn2cc(CN3CCN(c4ccc([N+](=O)[O-])nc4)CC3)[nH+]c12 ZINC000045915550 540233741 /nfs/dbraw/zinc/23/37/41/540233741.db2.gz YWTUJYHAPZLQAY-UHFFFAOYSA-N 1 2 352.398 2.268 20 5 FEBDLO Cc1cccn2cc(C[NH+]3CCN(c4ccc([N+](=O)[O-])nc4)CC3)nc12 ZINC000045915550 540233743 /nfs/dbraw/zinc/23/37/43/540233743.db2.gz YWTUJYHAPZLQAY-UHFFFAOYSA-N 1 2 352.398 2.268 20 5 FEBDLO Cc1cc(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000046718954 540267832 /nfs/dbraw/zinc/26/78/32/540267832.db2.gz AQRDQRKVLIVYAR-AWEZNQCLSA-N 1 2 370.409 2.453 20 5 FEBDLO Cc1nn(Cc2ccc(C(=O)NCCn3cc[nH+]c3)cc2)c(C)c1[N+](=O)[O-] ZINC000053253813 540520656 /nfs/dbraw/zinc/52/06/56/540520656.db2.gz JVBGSAPKEDAGLU-UHFFFAOYSA-N 1 2 368.397 2.083 20 5 FEBDLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000054391623 540587957 /nfs/dbraw/zinc/58/79/57/540587957.db2.gz ORBMYQLVLZQPRB-UHFFFAOYSA-N 1 2 368.393 2.210 20 5 FEBDLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000054391623 540587961 /nfs/dbraw/zinc/58/79/61/540587961.db2.gz ORBMYQLVLZQPRB-UHFFFAOYSA-N 1 2 368.393 2.210 20 5 FEBDLO COc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000054728838 540605981 /nfs/dbraw/zinc/60/59/81/540605981.db2.gz ZYKYBCMTNDMKBI-UHFFFAOYSA-N 1 2 353.338 2.114 20 5 FEBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(F)c1 ZINC000064243001 541195775 /nfs/dbraw/zinc/19/57/75/541195775.db2.gz LHFIPMJKHWBDLE-LBPRGKRZSA-N 1 2 373.431 2.377 20 5 FEBDLO CCOc1cc(C(=O)NCCNc2cccc[nH+]2)c([N+](=O)[O-])cc1OC ZINC000063706243 541180558 /nfs/dbraw/zinc/18/05/58/541180558.db2.gz QSKAHHWZKOMYTO-UHFFFAOYSA-N 1 2 360.370 2.239 20 5 FEBDLO COc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)cc1[N+](=O)[O-] ZINC000067117967 541419698 /nfs/dbraw/zinc/41/96/98/541419698.db2.gz NEXROODUICDBHW-CQSZACIVSA-N 1 2 365.455 2.143 20 5 FEBDLO COc1ccc(C[N@H+]2CCC[C@@H]2C(=O)N2CCSCC2)cc1[N+](=O)[O-] ZINC000067117967 541419701 /nfs/dbraw/zinc/41/97/01/541419701.db2.gz NEXROODUICDBHW-CQSZACIVSA-N 1 2 365.455 2.143 20 5 FEBDLO Cc1cccn2cc(CC(=O)NCCOc3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000068186532 541560165 /nfs/dbraw/zinc/56/01/65/541560165.db2.gz LTACIRIVMRVXSR-UHFFFAOYSA-N 1 2 354.366 2.289 20 5 FEBDLO COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)[NH+](C)C ZINC000069179590 541666433 /nfs/dbraw/zinc/66/64/33/541666433.db2.gz LMQZAHQXNDWGAK-OAHLLOKOSA-N 1 2 359.382 2.342 20 5 FEBDLO Cc1ccc(S(=O)(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1[N+](=O)[O-] ZINC000071092399 541763459 /nfs/dbraw/zinc/76/34/59/541763459.db2.gz PCHSNUINTVMQDG-UHFFFAOYSA-N 1 2 359.367 2.285 20 5 FEBDLO CCn1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC000072989230 541904854 /nfs/dbraw/zinc/90/48/54/541904854.db2.gz BJOVCLXICNAKRD-LBPRGKRZSA-N 1 2 361.402 2.279 20 5 FEBDLO CCn1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC000072989230 541904860 /nfs/dbraw/zinc/90/48/60/541904860.db2.gz BJOVCLXICNAKRD-LBPRGKRZSA-N 1 2 361.402 2.279 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])cc(F)c1F)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000078189436 542447321 /nfs/dbraw/zinc/44/73/21/542447321.db2.gz WKUQKZIEWIMTMV-GFCCVEGCSA-N 1 2 369.368 2.200 20 5 FEBDLO COc1ccc(OC)c(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000078247098 542449399 /nfs/dbraw/zinc/44/93/99/542449399.db2.gz MHDJKBRQMDWFTG-UHFFFAOYSA-N 1 2 358.398 2.329 20 5 FEBDLO O=c1[nH]cnc2cc(NCc3cc[nH+]c(N4CCCC4)c3)c([N+](=O)[O-])cc21 ZINC000078670843 542475287 /nfs/dbraw/zinc/47/52/87/542475287.db2.gz DTEHTBHVPZGBKS-UHFFFAOYSA-N 1 2 366.381 2.439 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)c1 ZINC000088719586 542755422 /nfs/dbraw/zinc/75/54/22/542755422.db2.gz PQLJVZFEPWWXEV-HNNXBMFYSA-N 1 2 360.458 2.473 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)c1 ZINC000088700346 542755859 /nfs/dbraw/zinc/75/58/59/542755859.db2.gz PPSUHCPSKSFWEO-INIZCTEOSA-N 1 2 360.458 2.426 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000088777515 542757210 /nfs/dbraw/zinc/75/72/10/542757210.db2.gz QONSPSZIXCXIPY-GFCCVEGCSA-N 1 2 350.400 2.195 20 5 FEBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCCCn1cc[nH+]c1 ZINC000091424674 542805954 /nfs/dbraw/zinc/80/59/54/542805954.db2.gz ASXDOLZBXSORJW-UHFFFAOYSA-N 1 2 360.342 2.290 20 5 FEBDLO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000092218517 542848807 /nfs/dbraw/zinc/84/88/07/542848807.db2.gz LYODZTPRXXLGEK-OAHLLOKOSA-N 1 2 371.384 2.493 20 5 FEBDLO CCc1nn(C)c(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000092828751 542889805 /nfs/dbraw/zinc/88/98/05/542889805.db2.gz YDLCRWPPPCHEFB-GFCCVEGCSA-N 1 2 360.418 2.123 20 5 FEBDLO CCc1nn(C)c(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000094131753 542953434 /nfs/dbraw/zinc/95/34/34/542953434.db2.gz VENFKMYKBHGEBG-OAHLLOKOSA-N 1 2 359.430 2.204 20 5 FEBDLO CCc1nn(C)c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000094131753 542953439 /nfs/dbraw/zinc/95/34/39/542953439.db2.gz VENFKMYKBHGEBG-OAHLLOKOSA-N 1 2 359.430 2.204 20 5 FEBDLO O=C(CN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)NC1CCCCC1 ZINC000103145549 543094887 /nfs/dbraw/zinc/09/48/87/543094887.db2.gz KWNMLELWIUIZRN-UHFFFAOYSA-N 1 2 360.458 2.161 20 5 FEBDLO O=C(C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)NC1CCCCC1 ZINC000103145549 543094890 /nfs/dbraw/zinc/09/48/90/543094890.db2.gz KWNMLELWIUIZRN-UHFFFAOYSA-N 1 2 360.458 2.161 20 5 FEBDLO O=C(Nc1cccc2c1C(=O)NC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000119498730 543668661 /nfs/dbraw/zinc/66/86/61/543668661.db2.gz HYYSBQIBNFWPAE-UHFFFAOYSA-N 1 2 363.333 2.276 20 5 FEBDLO CN(CC[NH+]1CCOCC1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000129222703 544098418 /nfs/dbraw/zinc/09/84/18/544098418.db2.gz RMCQAIKRYOKNJL-UHFFFAOYSA-N 1 2 361.320 2.018 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000130709324 544161878 /nfs/dbraw/zinc/16/18/78/544161878.db2.gz JDRJYZLPTDKFFI-KRWDZBQOSA-N 1 2 355.394 2.433 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000130709324 544161880 /nfs/dbraw/zinc/16/18/80/544161880.db2.gz JDRJYZLPTDKFFI-KRWDZBQOSA-N 1 2 355.394 2.433 20 5 FEBDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000134552071 544313121 /nfs/dbraw/zinc/31/31/21/544313121.db2.gz YXCWGMDEGIDGII-UHFFFAOYSA-N 1 2 358.807 2.156 20 5 FEBDLO Cc1c(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000151435720 544541042 /nfs/dbraw/zinc/54/10/42/544541042.db2.gz GJBSZXIGKGQVRU-WBMJQRKESA-N 1 2 371.397 2.148 20 5 FEBDLO C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000151239271 544519993 /nfs/dbraw/zinc/51/99/93/544519993.db2.gz WNEUKDAAWWPNJW-DOMZBBRYSA-N 1 2 350.400 2.063 20 5 FEBDLO COc1ccc(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000152448270 544655395 /nfs/dbraw/zinc/65/53/95/544655395.db2.gz WRZTVLAZEGAYHX-AWEZNQCLSA-N 1 2 356.382 2.397 20 5 FEBDLO C[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)Cn1cc[nH+]c1 ZINC000153791030 544823451 /nfs/dbraw/zinc/82/34/51/544823451.db2.gz MAZNQFQZGNIVNA-CYBMUJFWSA-N 1 2 354.370 2.043 20 5 FEBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000154545276 544919539 /nfs/dbraw/zinc/91/95/39/544919539.db2.gz ZHLACNUITOSHFP-LBPRGKRZSA-N 1 2 351.366 2.480 20 5 FEBDLO CCc1ccc([C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCO2)cc1 ZINC000190333455 328200748 /nfs/dbraw/zinc/20/07/48/328200748.db2.gz MZMJSOXMLYZPIY-SFHVURJKSA-N 1 2 357.410 2.392 20 5 FEBDLO CCc1ccc([C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCO2)cc1 ZINC000190333455 328200749 /nfs/dbraw/zinc/20/07/49/328200749.db2.gz MZMJSOXMLYZPIY-SFHVURJKSA-N 1 2 357.410 2.392 20 5 FEBDLO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191201403 328253850 /nfs/dbraw/zinc/25/38/50/328253850.db2.gz QLXOSSODZBHFSB-IVMMDQJWSA-N 1 2 372.381 2.418 20 5 FEBDLO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191201403 328253852 /nfs/dbraw/zinc/25/38/52/328253852.db2.gz QLXOSSODZBHFSB-IVMMDQJWSA-N 1 2 372.381 2.418 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000191329737 328260337 /nfs/dbraw/zinc/26/03/37/328260337.db2.gz FKPOWORSGZUPGS-UHFFFAOYSA-N 1 2 350.419 2.444 20 5 FEBDLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000191447646 328266351 /nfs/dbraw/zinc/26/63/51/328266351.db2.gz STGPLLNEBDLCRQ-ZDUSSCGKSA-N 1 2 365.415 2.262 20 5 FEBDLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000191447646 328266352 /nfs/dbraw/zinc/26/63/52/328266352.db2.gz STGPLLNEBDLCRQ-ZDUSSCGKSA-N 1 2 365.415 2.262 20 5 FEBDLO COC(=O)[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000191793341 328282241 /nfs/dbraw/zinc/28/22/41/328282241.db2.gz JBUGDRXZRDVPSH-RISCZKNCSA-N 1 2 360.370 2.276 20 5 FEBDLO COC(=O)[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000191793341 328282242 /nfs/dbraw/zinc/28/22/42/328282242.db2.gz JBUGDRXZRDVPSH-RISCZKNCSA-N 1 2 360.370 2.276 20 5 FEBDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000191808109 328282930 /nfs/dbraw/zinc/28/29/30/328282930.db2.gz ZYHGVDLGKPYQOY-PWSUYJOCSA-N 1 2 369.805 2.318 20 5 FEBDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000191808109 328282931 /nfs/dbraw/zinc/28/29/31/328282931.db2.gz ZYHGVDLGKPYQOY-PWSUYJOCSA-N 1 2 369.805 2.318 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)NCCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000191871403 328285946 /nfs/dbraw/zinc/28/59/46/328285946.db2.gz WFHAJVAPWVGSNO-UHFFFAOYSA-N 1 2 374.422 2.380 20 5 FEBDLO O=C(CN1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)Nc1ccc(F)cc1 ZINC000019539282 324391779 /nfs/dbraw/zinc/39/17/79/324391779.db2.gz YBOCUUNIOLKPHK-UHFFFAOYSA-N 1 2 372.400 2.490 20 5 FEBDLO CC(C)(CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000080056244 325115563 /nfs/dbraw/zinc/11/55/63/325115563.db2.gz JYXKHRYBLWRLRP-UHFFFAOYSA-N 1 2 364.446 2.240 20 5 FEBDLO CC(C)C(=O)N1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000118830633 326105669 /nfs/dbraw/zinc/10/56/69/326105669.db2.gz UFXIWUQZIBWFHI-CQSZACIVSA-N 1 2 362.430 2.112 20 5 FEBDLO CC(C)C(=O)N1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000118830633 326105670 /nfs/dbraw/zinc/10/56/70/326105670.db2.gz UFXIWUQZIBWFHI-CQSZACIVSA-N 1 2 362.430 2.112 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH+](C2CC2)CC1 ZINC000119990974 326219596 /nfs/dbraw/zinc/21/95/96/326219596.db2.gz ONMYPEJLPCBFIE-UHFFFAOYSA-N 1 2 354.204 2.278 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000125282655 326468833 /nfs/dbraw/zinc/46/88/33/326468833.db2.gz JRGOWUFMHVPKQG-HNNXBMFYSA-N 1 2 369.425 2.135 20 5 FEBDLO Cc1sc(S(=O)(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000125507328 326472958 /nfs/dbraw/zinc/47/29/58/326472958.db2.gz LEMUYYAZOOKAQQ-LBPRGKRZSA-N 1 2 369.424 2.202 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000126076649 326482621 /nfs/dbraw/zinc/48/26/21/326482621.db2.gz DVKVPBWYISDGLQ-LBPRGKRZSA-N 1 2 366.399 2.242 20 5 FEBDLO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130854583 326564511 /nfs/dbraw/zinc/56/45/11/326564511.db2.gz XHWCTKZJEVFXTI-UHFFFAOYSA-N 1 2 371.393 2.024 20 5 FEBDLO O=C(c1ccc(F)cc1)N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136911737 326656297 /nfs/dbraw/zinc/65/62/97/326656297.db2.gz NVBBSWHYYDAXDB-SFHVURJKSA-N 1 2 373.384 2.225 20 5 FEBDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000158038678 326883250 /nfs/dbraw/zinc/88/32/50/326883250.db2.gz ULJYFNAIFPYTKF-UHFFFAOYSA-N 1 2 369.385 2.489 20 5 FEBDLO CCc1n[nH]c(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000171744931 327158640 /nfs/dbraw/zinc/15/86/40/327158640.db2.gz NWSMUQVRERYBDO-UHFFFAOYSA-N 1 2 354.370 2.055 20 5 FEBDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000171994878 327175076 /nfs/dbraw/zinc/17/50/76/327175076.db2.gz JBMWZZNMGWXUDL-OAHLLOKOSA-N 1 2 373.413 2.478 20 5 FEBDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000171994878 327175077 /nfs/dbraw/zinc/17/50/77/327175077.db2.gz JBMWZZNMGWXUDL-OAHLLOKOSA-N 1 2 373.413 2.478 20 5 FEBDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)S1 ZINC000173074606 327233916 /nfs/dbraw/zinc/23/39/16/327233916.db2.gz HOGMAZWPIPBCNL-SNVBAGLBSA-N 1 2 368.846 2.497 20 5 FEBDLO CC(C)Cn1cc[nH+]c1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000173450826 327258017 /nfs/dbraw/zinc/25/80/17/327258017.db2.gz KCRFCANYMCASQV-UHFFFAOYSA-N 1 2 360.418 2.359 20 5 FEBDLO CCOC(=O)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](C)CC ZINC000173869475 327290253 /nfs/dbraw/zinc/29/02/53/327290253.db2.gz RRTONTSVTVQAOR-MLGOLLRUSA-N 1 2 374.397 2.488 20 5 FEBDLO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000175052643 327370834 /nfs/dbraw/zinc/37/08/34/327370834.db2.gz MFIDZRDROTYKIP-UHFFFAOYSA-N 1 2 370.409 2.057 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000176148542 327437428 /nfs/dbraw/zinc/43/74/28/327437428.db2.gz NLKHBWNKFAKMMX-SOUVJXGZSA-N 1 2 364.446 2.373 20 5 FEBDLO COC(=O)CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000177690060 327538029 /nfs/dbraw/zinc/53/80/29/327538029.db2.gz FMDRNDGKZWQACI-UHFFFAOYSA-N 1 2 372.381 2.338 20 5 FEBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255901600 328802692 /nfs/dbraw/zinc/80/26/92/328802692.db2.gz JKJWKOUQUDCHSU-IOBAAEILSA-N 1 2 360.458 2.140 20 5 FEBDLO CN1CC[N@H+](C)C[C@@H]1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000264725075 329053425 /nfs/dbraw/zinc/05/34/25/329053425.db2.gz IGUKMOLJIKIYEV-KRWDZBQOSA-N 1 2 368.437 2.484 20 5 FEBDLO CN1CC[N@@H+](C)C[C@@H]1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000264725075 329053426 /nfs/dbraw/zinc/05/34/26/329053426.db2.gz IGUKMOLJIKIYEV-KRWDZBQOSA-N 1 2 368.437 2.484 20 5 FEBDLO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCN(c2cccc[nH+]2)CC1 ZINC000266081427 329188355 /nfs/dbraw/zinc/18/83/55/329188355.db2.gz BNHGWFWXLLZPML-UHFFFAOYSA-N 1 2 369.381 2.273 20 5 FEBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000266380051 329216862 /nfs/dbraw/zinc/21/68/62/329216862.db2.gz TXYHJSAUZLEGOV-CQSZACIVSA-N 1 2 358.398 2.013 20 5 FEBDLO COc1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000266996689 329281382 /nfs/dbraw/zinc/28/13/82/329281382.db2.gz BQLUKGVXUHSANA-UHFFFAOYSA-N 1 2 358.398 2.329 20 5 FEBDLO CO[C@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000267063305 329287837 /nfs/dbraw/zinc/28/78/37/329287837.db2.gz FUNQUXCEMZTKCP-LLVKDONJSA-N 1 2 363.374 2.146 20 5 FEBDLO CO[C@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000267063305 329287839 /nfs/dbraw/zinc/28/78/39/329287839.db2.gz FUNQUXCEMZTKCP-LLVKDONJSA-N 1 2 363.374 2.146 20 5 FEBDLO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000267235590 329305417 /nfs/dbraw/zinc/30/54/17/329305417.db2.gz LXFBJXMPFGFBLB-GHMZBOCLSA-N 1 2 373.251 2.034 20 5 FEBDLO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@H+]1C[C@@H](C)O ZINC000267235590 329305418 /nfs/dbraw/zinc/30/54/18/329305418.db2.gz LXFBJXMPFGFBLB-GHMZBOCLSA-N 1 2 373.251 2.034 20 5 FEBDLO CCc1cc(NC[C@@H]2CC[C@@H](C(N)=O)O2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000268317460 329407857 /nfs/dbraw/zinc/40/78/57/329407857.db2.gz LYYUZMOFSJPSIG-GJZGRUSLSA-N 1 2 371.397 2.059 20 5 FEBDLO O=C(NCC1(CCO)CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000268569298 329435506 /nfs/dbraw/zinc/43/55/06/329435506.db2.gz LKYOLPNIGPNZDH-UHFFFAOYSA-N 1 2 358.398 2.453 20 5 FEBDLO C[C@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000271449861 329694711 /nfs/dbraw/zinc/69/47/11/329694711.db2.gz WWRUVVIFUWZHPQ-CMPLNLGQSA-N 1 2 370.456 2.344 20 5 FEBDLO C[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000271688262 329715703 /nfs/dbraw/zinc/71/57/03/329715703.db2.gz LHNZTVNMNLXDMH-IHRRRGAJSA-N 1 2 350.419 2.064 20 5 FEBDLO C[C@H]([C@H](C)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000271688266 329715706 /nfs/dbraw/zinc/71/57/06/329715706.db2.gz LHNZTVNMNLXDMH-MELADBBJSA-N 1 2 350.419 2.064 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000272415591 329779252 /nfs/dbraw/zinc/77/92/52/329779252.db2.gz CYYYGYONUHAAHE-JTQLQIEISA-N 1 2 358.807 2.120 20 5 FEBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000272490220 329785574 /nfs/dbraw/zinc/78/55/74/329785574.db2.gz RMAZXRRMTHQLES-UHFFFAOYSA-N 1 2 355.398 2.492 20 5 FEBDLO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2nnc(C)s2)c([N+](=O)[O-])c1 ZINC000273572617 329875728 /nfs/dbraw/zinc/87/57/28/329875728.db2.gz GHHYUSRJCUMGOC-SECBINFHSA-N 1 2 365.415 2.443 20 5 FEBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)nc1 ZINC000273619151 329879498 /nfs/dbraw/zinc/87/94/98/329879498.db2.gz OCUOHCHCFAJADF-UHFFFAOYSA-N 1 2 351.769 2.500 20 5 FEBDLO O=[N+]([O-])c1ccc2c(c1NCc1ccc[nH+]c1N1CCOCC1)CCN2 ZINC000275441970 330049227 /nfs/dbraw/zinc/04/92/27/330049227.db2.gz WPLFBXHWGMEVND-UHFFFAOYSA-N 1 2 355.398 2.407 20 5 FEBDLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000275796798 330090166 /nfs/dbraw/zinc/09/01/66/330090166.db2.gz JNDVBEQKLAEWPS-SNVBAGLBSA-N 1 2 373.251 2.034 20 5 FEBDLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000275796798 330090167 /nfs/dbraw/zinc/09/01/67/330090167.db2.gz JNDVBEQKLAEWPS-SNVBAGLBSA-N 1 2 373.251 2.034 20 5 FEBDLO COC(=O)c1cnc(N(C)Cc2[nH+]cc(C)c(OC)c2C)c([N+](=O)[O-])c1 ZINC000276629353 330172010 /nfs/dbraw/zinc/17/20/10/330172010.db2.gz VVXPMUSUQZYZDE-UHFFFAOYSA-N 1 2 360.370 2.433 20 5 FEBDLO O=C(C[NH+]1CCC(O)(C(F)F)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000426246165 330271784 /nfs/dbraw/zinc/27/17/84/330271784.db2.gz QFPMYDVBPDKBDJ-UHFFFAOYSA-N 1 2 363.748 2.279 20 5 FEBDLO Cn1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc(Cl)c1=O ZINC000156083252 545597954 /nfs/dbraw/zinc/59/79/54/545597954.db2.gz BRURROYBCXWMHF-UHFFFAOYSA-N 1 2 373.756 2.385 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000158932642 545906127 /nfs/dbraw/zinc/90/61/27/545906127.db2.gz YSYXRYCFOHHJFX-UHFFFAOYSA-N 1 2 369.377 2.331 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000158932642 545906130 /nfs/dbraw/zinc/90/61/30/545906130.db2.gz YSYXRYCFOHHJFX-UHFFFAOYSA-N 1 2 369.377 2.331 20 5 FEBDLO CCOC(=O)c1cc(N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000480712737 561215095 /nfs/dbraw/zinc/21/50/95/561215095.db2.gz TTXYFCGOADNGBG-INIZCTEOSA-N 1 2 373.413 2.378 20 5 FEBDLO COCCO[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000179355578 546938280 /nfs/dbraw/zinc/93/82/80/546938280.db2.gz KMWOEBDNMKBSJT-HNNXBMFYSA-N 1 2 362.386 2.272 20 5 FEBDLO COCCO[C@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000179355578 546938283 /nfs/dbraw/zinc/93/82/83/546938283.db2.gz KMWOEBDNMKBSJT-HNNXBMFYSA-N 1 2 362.386 2.272 20 5 FEBDLO Cc1cccn2cc(CNS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)[nH+]c12 ZINC000179496635 546966119 /nfs/dbraw/zinc/96/61/19/546966119.db2.gz JCFWRHZTXMXFET-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO C[C@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000182286759 547468338 /nfs/dbraw/zinc/46/83/38/547468338.db2.gz ZRNAGYGRQLIWCR-LBPRGKRZSA-N 1 2 353.394 2.064 20 5 FEBDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000485419100 561318727 /nfs/dbraw/zinc/31/87/27/561318727.db2.gz IVQFRMQMNDCHNT-OAHLLOKOSA-N 1 2 359.386 2.030 20 5 FEBDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000485419100 561318728 /nfs/dbraw/zinc/31/87/28/561318728.db2.gz IVQFRMQMNDCHNT-OAHLLOKOSA-N 1 2 359.386 2.030 20 5 FEBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCCc1cn2c([nH+]1)CCCC2 ZINC000485748645 561327202 /nfs/dbraw/zinc/32/72/02/561327202.db2.gz JNBXLRGQWFVNLU-UHFFFAOYSA-N 1 2 364.352 2.307 20 5 FEBDLO O=C(COc1ccccc1[N+](=O)[O-])N1CCCN(c2cccc[nH+]2)CC1 ZINC000186422231 548132937 /nfs/dbraw/zinc/13/29/37/548132937.db2.gz NEGPQIWOIVAJNB-UHFFFAOYSA-N 1 2 356.382 2.108 20 5 FEBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186838605 548202615 /nfs/dbraw/zinc/20/26/15/548202615.db2.gz CWJHAVUAPZPZHD-UHFFFAOYSA-N 1 2 363.399 2.390 20 5 FEBDLO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)C1 ZINC000194018546 548422861 /nfs/dbraw/zinc/42/28/61/548422861.db2.gz KDGOKDYYQAKLNN-NWDGAFQWSA-N 1 2 363.439 2.337 20 5 FEBDLO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)C1 ZINC000194018546 548422862 /nfs/dbraw/zinc/42/28/62/548422862.db2.gz KDGOKDYYQAKLNN-NWDGAFQWSA-N 1 2 363.439 2.337 20 5 FEBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000195144335 548583862 /nfs/dbraw/zinc/58/38/62/548583862.db2.gz BEKGFPFVXONWNG-UHFFFAOYSA-N 1 2 370.409 2.060 20 5 FEBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488579489 561392360 /nfs/dbraw/zinc/39/23/60/561392360.db2.gz JEOKTUOPIHMDKN-OAHLLOKOSA-N 1 2 357.414 2.428 20 5 FEBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000488579488 561392300 /nfs/dbraw/zinc/39/23/00/561392300.db2.gz JEOKTUOPIHMDKN-HNNXBMFYSA-N 1 2 357.414 2.428 20 5 FEBDLO COc1cc(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000488711412 561395019 /nfs/dbraw/zinc/39/50/19/561395019.db2.gz IBGDGTRUZTVWGU-OAHLLOKOSA-N 1 2 362.430 2.181 20 5 FEBDLO COc1cc(C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000488711412 561395020 /nfs/dbraw/zinc/39/50/20/561395020.db2.gz IBGDGTRUZTVWGU-OAHLLOKOSA-N 1 2 362.430 2.181 20 5 FEBDLO COC(=O)c1sccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488723724 561395408 /nfs/dbraw/zinc/39/54/08/561395408.db2.gz REJJIIUDDVDCEK-UHFFFAOYSA-N 1 2 350.400 2.477 20 5 FEBDLO Cc1cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)ccc1Oc1cc[nH+]cc1 ZINC000489369858 561409299 /nfs/dbraw/zinc/40/92/99/561409299.db2.gz OSPZOYDXLXASJL-UHFFFAOYSA-N 1 2 354.326 2.321 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000248446322 549438695 /nfs/dbraw/zinc/43/86/95/549438695.db2.gz GWEZGSCPAKAFBT-CZUORRHYSA-N 1 2 364.423 2.470 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000248446322 549438701 /nfs/dbraw/zinc/43/87/01/549438701.db2.gz GWEZGSCPAKAFBT-CZUORRHYSA-N 1 2 364.423 2.470 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C ZINC000248976470 549534362 /nfs/dbraw/zinc/53/43/62/549534362.db2.gz DOCIQQWEPILPGR-BXUZGUMPSA-N 1 2 360.370 2.276 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C ZINC000248976470 549534366 /nfs/dbraw/zinc/53/43/66/549534366.db2.gz DOCIQQWEPILPGR-BXUZGUMPSA-N 1 2 360.370 2.276 20 5 FEBDLO COc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000249586623 549608391 /nfs/dbraw/zinc/60/83/91/549608391.db2.gz TZXSFKQIFCWMLF-JOYOIKCWSA-N 1 2 373.356 2.291 20 5 FEBDLO COc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000249586623 549608397 /nfs/dbraw/zinc/60/83/97/549608397.db2.gz TZXSFKQIFCWMLF-JOYOIKCWSA-N 1 2 373.356 2.291 20 5 FEBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000263763306 549932983 /nfs/dbraw/zinc/93/29/83/549932983.db2.gz DPIUATOELFTRTE-IUODEOHRSA-N 1 2 371.397 2.190 20 5 FEBDLO C[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1n1cc[nH+]c1 ZINC000268395918 550058933 /nfs/dbraw/zinc/05/89/33/550058933.db2.gz SBBCINHAMCKMNO-WFASDCNBSA-N 1 2 372.381 2.286 20 5 FEBDLO Cc1nnc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000268443038 550066311 /nfs/dbraw/zinc/06/63/11/550066311.db2.gz HLLVLMYIWCDUSW-AAEUAGOBSA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1nnc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000268443038 550066314 /nfs/dbraw/zinc/06/63/14/550066314.db2.gz HLLVLMYIWCDUSW-AAEUAGOBSA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000268443038 550066317 /nfs/dbraw/zinc/06/63/17/550066317.db2.gz HLLVLMYIWCDUSW-AAEUAGOBSA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000268443038 550066319 /nfs/dbraw/zinc/06/63/19/550066319.db2.gz HLLVLMYIWCDUSW-AAEUAGOBSA-N 1 2 358.402 2.228 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](c2[nH]cc[nH+]2)c2ccccc2)n1 ZINC000492826309 561452959 /nfs/dbraw/zinc/45/29/59/561452959.db2.gz DHQQOSCFKSUGDF-OAHLLOKOSA-N 1 2 354.370 2.396 20 5 FEBDLO CCOCC[NH+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273923106 550516057 /nfs/dbraw/zinc/51/60/57/550516057.db2.gz GHLCJTGUXNHPKX-UHFFFAOYSA-N 1 2 367.421 2.192 20 5 FEBDLO COc1cc(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000276924093 550611625 /nfs/dbraw/zinc/61/16/25/550611625.db2.gz SCEAGNQFDQGEPV-OKILXGFUSA-N 1 2 362.329 2.050 20 5 FEBDLO COc1cc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000276924093 550611626 /nfs/dbraw/zinc/61/16/26/550611626.db2.gz SCEAGNQFDQGEPV-OKILXGFUSA-N 1 2 362.329 2.050 20 5 FEBDLO Cc1ccc([C@@H](C)NC(=O)NCC2([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000277330135 550657219 /nfs/dbraw/zinc/65/72/19/550657219.db2.gz FAFCGTLQYCQZRS-CQSZACIVSA-N 1 2 362.430 2.128 20 5 FEBDLO COc1cc(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)c([N+](=O)[O-])cc1OC ZINC000278623094 550805312 /nfs/dbraw/zinc/80/53/12/550805312.db2.gz HKZZMBCTQHISKB-CYBMUJFWSA-N 1 2 372.443 2.011 20 5 FEBDLO COc1cc(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)c([N+](=O)[O-])cc1OC ZINC000278623094 550805314 /nfs/dbraw/zinc/80/53/14/550805314.db2.gz HKZZMBCTQHISKB-CYBMUJFWSA-N 1 2 372.443 2.011 20 5 FEBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@@H](O)COc1cccc3[nH]ccc31)CC2 ZINC000495443604 561487875 /nfs/dbraw/zinc/48/78/75/561487875.db2.gz DLUWJLWZTRJYJN-OAHLLOKOSA-N 1 2 368.393 2.269 20 5 FEBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H](O)COc1cccc3[nH]ccc31)CC2 ZINC000495443604 561487876 /nfs/dbraw/zinc/48/78/76/561487876.db2.gz DLUWJLWZTRJYJN-OAHLLOKOSA-N 1 2 368.393 2.269 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000279936407 550944667 /nfs/dbraw/zinc/94/46/67/550944667.db2.gz XAUVRSHAMNXTHQ-PMUMKWKESA-N 1 2 363.414 2.110 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000279936407 550944668 /nfs/dbraw/zinc/94/46/68/550944668.db2.gz XAUVRSHAMNXTHQ-PMUMKWKESA-N 1 2 363.414 2.110 20 5 FEBDLO COc1cc(C[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)c([N+](=O)[O-])cc1OC ZINC000280613303 551013424 /nfs/dbraw/zinc/01/34/24/551013424.db2.gz ZFTWDMOKERAWAJ-CYBMUJFWSA-N 1 2 366.414 2.382 20 5 FEBDLO COc1cc(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)c([N+](=O)[O-])cc1OC ZINC000280613303 551013426 /nfs/dbraw/zinc/01/34/26/551013426.db2.gz ZFTWDMOKERAWAJ-CYBMUJFWSA-N 1 2 366.414 2.382 20 5 FEBDLO CCC(CC)[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000280728571 551025912 /nfs/dbraw/zinc/02/59/12/551025912.db2.gz IECQSAPOMRHWCK-HNNXBMFYSA-N 1 2 365.430 2.167 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000282652887 551256326 /nfs/dbraw/zinc/25/63/26/551256326.db2.gz MRDLLXUCJBMMQO-KRWDZBQOSA-N 1 2 365.430 2.080 20 5 FEBDLO CCOC[C@@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284893250 551660585 /nfs/dbraw/zinc/66/05/85/551660585.db2.gz UKTVXNOKQREJCG-JTQLQIEISA-N 1 2 359.220 2.113 20 5 FEBDLO CCOC[C@@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284893250 551660586 /nfs/dbraw/zinc/66/05/86/551660586.db2.gz UKTVXNOKQREJCG-JTQLQIEISA-N 1 2 359.220 2.113 20 5 FEBDLO C[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1(CO)CC1 ZINC000285503542 551766238 /nfs/dbraw/zinc/76/62/38/551766238.db2.gz MXRCRDSFQHIJED-UHFFFAOYSA-N 1 2 362.411 2.114 20 5 FEBDLO C[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1(CO)CC1 ZINC000285503542 551766240 /nfs/dbraw/zinc/76/62/40/551766240.db2.gz MXRCRDSFQHIJED-UHFFFAOYSA-N 1 2 362.411 2.114 20 5 FEBDLO CC(C)[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000286013104 551838346 /nfs/dbraw/zinc/83/83/46/551838346.db2.gz FEWXQYQZJVSGPK-CYBMUJFWSA-N 1 2 364.475 2.283 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000286236015 551864302 /nfs/dbraw/zinc/86/43/02/551864302.db2.gz DYYJUCKWDNGPMR-WDEREUQCSA-N 1 2 359.473 2.123 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ncc(Br)cc1[N+](=O)[O-] ZINC000286296810 551871036 /nfs/dbraw/zinc/87/10/36/551871036.db2.gz JFCCZKBXWMBMBI-ZYHUDNBSSA-N 1 2 371.235 2.052 20 5 FEBDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000499120244 561544019 /nfs/dbraw/zinc/54/40/19/561544019.db2.gz GQYAZQLCOOLBLI-HNNXBMFYSA-N 1 2 362.430 2.175 20 5 FEBDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000499120244 561544020 /nfs/dbraw/zinc/54/40/20/561544020.db2.gz GQYAZQLCOOLBLI-HNNXBMFYSA-N 1 2 362.430 2.175 20 5 FEBDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286716844 551918145 /nfs/dbraw/zinc/91/81/45/551918145.db2.gz GACAZJMQQMQSAM-ZDUSSCGKSA-N 1 2 352.347 2.214 20 5 FEBDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286716844 551918147 /nfs/dbraw/zinc/91/81/47/551918147.db2.gz GACAZJMQQMQSAM-ZDUSSCGKSA-N 1 2 352.347 2.214 20 5 FEBDLO O=C(CCc1[nH]cc[nH+]1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000287091242 551962312 /nfs/dbraw/zinc/96/23/12/551962312.db2.gz LAPDWTQOIYKPOI-UHFFFAOYSA-N 1 2 371.319 2.498 20 5 FEBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000499256452 561546928 /nfs/dbraw/zinc/54/69/28/561546928.db2.gz OGACNOKPLFCDEF-BXUZGUMPSA-N 1 2 357.370 2.012 20 5 FEBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000499256452 561546929 /nfs/dbraw/zinc/54/69/29/561546929.db2.gz OGACNOKPLFCDEF-BXUZGUMPSA-N 1 2 357.370 2.012 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000287355998 551993701 /nfs/dbraw/zinc/99/37/01/551993701.db2.gz NOCZXTKHBFOQMF-KGLIPLIRSA-N 1 2 370.409 2.078 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000287429946 552003235 /nfs/dbraw/zinc/00/32/35/552003235.db2.gz QPGZTHMIFXXQED-IUODEOHRSA-N 1 2 367.833 2.112 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000287616823 552025855 /nfs/dbraw/zinc/02/58/55/552025855.db2.gz YYWGLYSAZQCMLN-GXTWGEPZSA-N 1 2 367.833 2.492 20 5 FEBDLO CC1(C)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1[C@@H]1CCCO1 ZINC000289797991 552380340 /nfs/dbraw/zinc/38/03/40/552380340.db2.gz NNQDEOHMKRQXSL-WMZOPIPTSA-N 1 2 359.426 2.373 20 5 FEBDLO CC1(C)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1[C@@H]1CCCO1 ZINC000289797991 552380342 /nfs/dbraw/zinc/38/03/42/552380342.db2.gz NNQDEOHMKRQXSL-WMZOPIPTSA-N 1 2 359.426 2.373 20 5 FEBDLO Cc1nnc(CC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000289835164 552386615 /nfs/dbraw/zinc/38/66/15/552386615.db2.gz PQBUTOGPJREWPW-HNNXBMFYSA-N 1 2 358.427 2.410 20 5 FEBDLO Cc1ccc2[nH+]c(CNS(=O)(=O)CCc3ccccc3[N+](=O)[O-])cn2c1 ZINC000500702528 561579752 /nfs/dbraw/zinc/57/97/52/561579752.db2.gz HTCJPCIILFIUMX-UHFFFAOYSA-N 1 2 374.422 2.213 20 5 FEBDLO O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000293957425 552870829 /nfs/dbraw/zinc/87/08/29/552870829.db2.gz GZBBIBAPGVUOTA-UHFFFAOYSA-N 1 2 353.382 2.225 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@](C)(F)C1 ZINC000295798299 553060107 /nfs/dbraw/zinc/06/01/07/553060107.db2.gz VTXZNSOTDQRAEC-INIZCTEOSA-N 1 2 371.413 2.072 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@](C)(F)C1 ZINC000295798299 553060110 /nfs/dbraw/zinc/06/01/10/553060110.db2.gz VTXZNSOTDQRAEC-INIZCTEOSA-N 1 2 371.413 2.072 20 5 FEBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000295863151 553069123 /nfs/dbraw/zinc/06/91/23/553069123.db2.gz FEKUUULYKATURQ-CYBMUJFWSA-N 1 2 356.379 2.441 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1N(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296066512 553099295 /nfs/dbraw/zinc/09/92/95/553099295.db2.gz XOTZMICLZACQJC-GDBMZVCRSA-N 1 2 360.414 2.151 20 5 FEBDLO CN(C(=O)C[N@H+](C)CCNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000297291924 553274325 /nfs/dbraw/zinc/27/43/25/553274325.db2.gz AOTKEYKCURISNF-UHFFFAOYSA-N 1 2 366.418 2.014 20 5 FEBDLO CN(C(=O)C[N@@H+](C)CCNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000297291924 553274327 /nfs/dbraw/zinc/27/43/27/553274327.db2.gz AOTKEYKCURISNF-UHFFFAOYSA-N 1 2 366.418 2.014 20 5 FEBDLO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000297531963 553304817 /nfs/dbraw/zinc/30/48/17/553304817.db2.gz IEOQCTOEZUALHR-YOEHRIQHSA-N 1 2 362.430 2.162 20 5 FEBDLO Cc1[nH+]c2cc(CNC(=O)c3nn(C)cc3[N+](=O)[O-])ccc2n1C1CC1 ZINC000298460210 553427310 /nfs/dbraw/zinc/42/73/10/553427310.db2.gz QNKYLJQIPUBKMM-UHFFFAOYSA-N 1 2 354.370 2.251 20 5 FEBDLO Cc1nn(C)c(NC[C@H](c2cccs2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000298735744 553466033 /nfs/dbraw/zinc/46/60/33/553466033.db2.gz PPWZLDBDSFBALH-GFCCVEGCSA-N 1 2 351.432 2.184 20 5 FEBDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000301099773 553621735 /nfs/dbraw/zinc/62/17/35/553621735.db2.gz SOIDSRXXTRXKPP-CVEARBPZSA-N 1 2 360.458 2.412 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000301184408 553629224 /nfs/dbraw/zinc/62/92/24/553629224.db2.gz OPLWGTSCNOBZIO-GOSISDBHSA-N 1 2 354.410 2.252 20 5 FEBDLO O=[N+]([O-])c1cnc(NC[C@]2([NH+]3CCOCC3)CCSC2)c(Cl)c1 ZINC000301280327 553638759 /nfs/dbraw/zinc/63/87/59/553638759.db2.gz NZPDMHBEPYCZPB-CQSZACIVSA-N 1 2 358.851 2.263 20 5 FEBDLO Cn1c(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)ccc1[N+](=O)[O-] ZINC000504838312 561663010 /nfs/dbraw/zinc/66/30/10/561663010.db2.gz GEKWZRBFIFXSIS-UHFFFAOYSA-N 1 2 369.381 2.483 20 5 FEBDLO CC(C)c1nc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(N(C)C)[nH+]1 ZINC000301962152 553694470 /nfs/dbraw/zinc/69/44/70/553694470.db2.gz MYUXVAYVOURPOY-GFCCVEGCSA-N 1 2 372.433 2.055 20 5 FEBDLO CC(C)c1nc(N(C)C)nc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH+]1 ZINC000301962152 553694472 /nfs/dbraw/zinc/69/44/72/553694472.db2.gz MYUXVAYVOURPOY-GFCCVEGCSA-N 1 2 372.433 2.055 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000331629236 554297865 /nfs/dbraw/zinc/29/78/65/554297865.db2.gz HRVOWQJTJDFCHV-CQSZACIVSA-N 1 2 367.471 2.355 20 5 FEBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000509480020 561801157 /nfs/dbraw/zinc/80/11/57/561801157.db2.gz OVHWQXCAQWYKRQ-QGZVFWFLSA-N 1 2 371.441 2.415 20 5 FEBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000509480020 561801158 /nfs/dbraw/zinc/80/11/58/561801158.db2.gz OVHWQXCAQWYKRQ-QGZVFWFLSA-N 1 2 371.441 2.415 20 5 FEBDLO CC1(C)CC[C@@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)O1 ZINC000332084644 554376931 /nfs/dbraw/zinc/37/69/31/554376931.db2.gz DLYYLWJJZNGLGP-LBPRGKRZSA-N 1 2 353.444 2.372 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000332118299 554384027 /nfs/dbraw/zinc/38/40/27/554384027.db2.gz FBOLXAJNAGEOIY-GJZGRUSLSA-N 1 2 351.428 2.048 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000332118299 554384029 /nfs/dbraw/zinc/38/40/29/554384029.db2.gz FBOLXAJNAGEOIY-GJZGRUSLSA-N 1 2 351.428 2.048 20 5 FEBDLO Cc1cc(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332518024 554460987 /nfs/dbraw/zinc/46/09/87/554460987.db2.gz KUKJUYPQSFJUGI-HUUCEWRRSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1cc(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332518024 554460989 /nfs/dbraw/zinc/46/09/89/554460989.db2.gz KUKJUYPQSFJUGI-HUUCEWRRSA-N 1 2 367.471 2.459 20 5 FEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332527561 554463416 /nfs/dbraw/zinc/46/34/16/554463416.db2.gz DDINULAEKCDNPY-GJZGRUSLSA-N 1 2 365.455 2.252 20 5 FEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332527561 554463422 /nfs/dbraw/zinc/46/34/22/554463422.db2.gz DDINULAEKCDNPY-GJZGRUSLSA-N 1 2 365.455 2.252 20 5 FEBDLO CC(C)[C@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCS1 ZINC000332588056 554477397 /nfs/dbraw/zinc/47/73/97/554477397.db2.gz KXKCOXNVBJCCBY-OAHLLOKOSA-N 1 2 367.427 2.335 20 5 FEBDLO CC(C)[C@H]1C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCS1 ZINC000332588056 554477400 /nfs/dbraw/zinc/47/74/00/554477400.db2.gz KXKCOXNVBJCCBY-OAHLLOKOSA-N 1 2 367.427 2.335 20 5 FEBDLO CS(=O)(=O)NCC1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000510209075 561828282 /nfs/dbraw/zinc/82/82/82/561828282.db2.gz OXSQJUXJZUIYNN-UHFFFAOYSA-N 1 2 361.851 2.009 20 5 FEBDLO Cc1cc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)ccc1[N+](=O)[O-] ZINC000510455105 561835270 /nfs/dbraw/zinc/83/52/70/561835270.db2.gz AYOZPYURIFGEHO-CQSZACIVSA-N 1 2 350.400 2.066 20 5 FEBDLO Cc1ccc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)c([N+](=O)[O-])c1 ZINC000511300628 561864511 /nfs/dbraw/zinc/86/45/11/561864511.db2.gz MLOIQWIAUDAQBO-CQSZACIVSA-N 1 2 350.400 2.066 20 5 FEBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(Cc3ccc(F)cc3[N+](=O)[O-])n2)C1 ZINC000351409437 554854146 /nfs/dbraw/zinc/85/41/46/554854146.db2.gz RUVGVCNWUZSNDH-CQSZACIVSA-N 1 2 350.350 2.489 20 5 FEBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(Cc3ccc(F)cc3[N+](=O)[O-])n2)C1 ZINC000351409437 554854151 /nfs/dbraw/zinc/85/41/51/554854151.db2.gz RUVGVCNWUZSNDH-CQSZACIVSA-N 1 2 350.350 2.489 20 5 FEBDLO Cc1nn(C)c(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000511395320 561867834 /nfs/dbraw/zinc/86/78/34/561867834.db2.gz QINRRBREEHGVQM-UHFFFAOYSA-N 1 2 370.369 2.165 20 5 FEBDLO O=C(NCCn1cc[nH+]c1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000361739800 554932159 /nfs/dbraw/zinc/93/21/59/554932159.db2.gz ZMCYWVODIBNASH-SJLPKXTDSA-N 1 2 369.425 2.139 20 5 FEBDLO O=C(NCCn1cc[nH+]c1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 ZINC000361739801 554932304 /nfs/dbraw/zinc/93/23/04/554932304.db2.gz ZMCYWVODIBNASH-WMZOPIPTSA-N 1 2 369.425 2.139 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000363209421 555054637 /nfs/dbraw/zinc/05/46/37/555054637.db2.gz OKYGPYDNIZLNNI-UHFFFAOYSA-N 1 2 358.398 2.280 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000363209421 555054641 /nfs/dbraw/zinc/05/46/41/555054641.db2.gz OKYGPYDNIZLNNI-UHFFFAOYSA-N 1 2 358.398 2.280 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)Nc1cc(F)ccc1F ZINC000364323497 555291297 /nfs/dbraw/zinc/29/12/97/555291297.db2.gz IXQMFJXKXHCOIY-GFCCVEGCSA-N 1 2 365.340 2.345 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)Nc1cc(F)ccc1F ZINC000364323497 555291298 /nfs/dbraw/zinc/29/12/98/555291298.db2.gz IXQMFJXKXHCOIY-GFCCVEGCSA-N 1 2 365.340 2.345 20 5 FEBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000364694026 555376931 /nfs/dbraw/zinc/37/69/31/555376931.db2.gz GCVQPRMXHGGLSC-CQSZACIVSA-N 1 2 373.413 2.413 20 5 FEBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000364694026 555376933 /nfs/dbraw/zinc/37/69/33/555376933.db2.gz GCVQPRMXHGGLSC-CQSZACIVSA-N 1 2 373.413 2.413 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c1C ZINC000364725791 555386681 /nfs/dbraw/zinc/38/66/81/555386681.db2.gz VEDNEOSDYFNOGJ-ZDUSSCGKSA-N 1 2 350.400 2.461 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512838447 561917320 /nfs/dbraw/zinc/91/73/20/561917320.db2.gz CSYPBTPKEDUSFL-SNVBAGLBSA-N 1 2 359.329 2.103 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000512838447 561917322 /nfs/dbraw/zinc/91/73/22/561917322.db2.gz CSYPBTPKEDUSFL-SNVBAGLBSA-N 1 2 359.329 2.103 20 5 FEBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000365205701 555510664 /nfs/dbraw/zinc/51/06/64/555510664.db2.gz SYAIHFHEWBSYQG-ZCFIWIBFSA-N 1 2 371.216 2.429 20 5 FEBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000365205701 555510665 /nfs/dbraw/zinc/51/06/65/555510665.db2.gz SYAIHFHEWBSYQG-ZCFIWIBFSA-N 1 2 371.216 2.429 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000366334998 555814780 /nfs/dbraw/zinc/81/47/80/555814780.db2.gz URAPGZZEBUUYRI-XJKSGUPXSA-N 1 2 362.430 2.127 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000366334998 555814783 /nfs/dbraw/zinc/81/47/83/555814783.db2.gz URAPGZZEBUUYRI-XJKSGUPXSA-N 1 2 362.430 2.127 20 5 FEBDLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000366790837 555935139 /nfs/dbraw/zinc/93/51/39/555935139.db2.gz BPJJDYHQWOANQS-CYBMUJFWSA-N 1 2 355.398 2.087 20 5 FEBDLO Cc1cc(OCC(=O)NCCc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000366805736 555938705 /nfs/dbraw/zinc/93/87/05/555938705.db2.gz KUNYHVKRXHHNML-UHFFFAOYSA-N 1 2 358.398 2.174 20 5 FEBDLO Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)n1 ZINC000367556524 556081827 /nfs/dbraw/zinc/08/18/27/556081827.db2.gz IMHGWTBLBUUXQJ-UHFFFAOYSA-N 1 2 364.365 2.496 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@@H]4CCOC[C@H]43)o2)c1 ZINC000367769701 556134801 /nfs/dbraw/zinc/13/48/01/556134801.db2.gz DXDKBIPZAWPPPM-HZPDHXFCSA-N 1 2 359.382 2.282 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@@H]4CCOC[C@H]43)o2)c1 ZINC000367769701 556134803 /nfs/dbraw/zinc/13/48/03/556134803.db2.gz DXDKBIPZAWPPPM-HZPDHXFCSA-N 1 2 359.382 2.282 20 5 FEBDLO O=C1[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CCN2C(=O)N1c1ccccc1 ZINC000367800476 556142044 /nfs/dbraw/zinc/14/20/44/556142044.db2.gz JGOAMXGQJYNZAK-KRWDZBQOSA-N 1 2 366.377 2.248 20 5 FEBDLO O=C1[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)CCN2C(=O)N1c1ccccc1 ZINC000367800476 556142047 /nfs/dbraw/zinc/14/20/47/556142047.db2.gz JGOAMXGQJYNZAK-KRWDZBQOSA-N 1 2 366.377 2.248 20 5 FEBDLO O=C1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CCN2C(=O)N1c1ccccc1 ZINC000367800477 556142194 /nfs/dbraw/zinc/14/21/94/556142194.db2.gz JGOAMXGQJYNZAK-QGZVFWFLSA-N 1 2 366.377 2.248 20 5 FEBDLO O=C1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)CCN2C(=O)N1c1ccccc1 ZINC000367800477 556142197 /nfs/dbraw/zinc/14/21/97/556142197.db2.gz JGOAMXGQJYNZAK-QGZVFWFLSA-N 1 2 366.377 2.248 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000368070915 556211019 /nfs/dbraw/zinc/21/10/19/556211019.db2.gz DWASGCDTOHHKAG-RDJZCZTQSA-N 1 2 363.414 2.431 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000368070915 556211026 /nfs/dbraw/zinc/21/10/26/556211026.db2.gz DWASGCDTOHHKAG-RDJZCZTQSA-N 1 2 363.414 2.431 20 5 FEBDLO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000368294384 556271168 /nfs/dbraw/zinc/27/11/68/556271168.db2.gz QNCTWYFYJBWPCN-AWEZNQCLSA-N 1 2 350.400 2.027 20 5 FEBDLO CC1(C)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@]2(CCOC2)O1 ZINC000368447457 556312125 /nfs/dbraw/zinc/31/21/25/556312125.db2.gz RUDCXQLRMAJDRL-SFHVURJKSA-N 1 2 374.397 2.415 20 5 FEBDLO CC1(C)C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@]2(CCOC2)O1 ZINC000368447457 556312128 /nfs/dbraw/zinc/31/21/28/556312128.db2.gz RUDCXQLRMAJDRL-SFHVURJKSA-N 1 2 374.397 2.415 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000368456610 556315459 /nfs/dbraw/zinc/31/54/59/556315459.db2.gz BKOLZHFNPAJLGK-OLZOCXBDSA-N 1 2 370.413 2.174 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000368456610 556315460 /nfs/dbraw/zinc/31/54/60/556315460.db2.gz BKOLZHFNPAJLGK-OLZOCXBDSA-N 1 2 370.413 2.174 20 5 FEBDLO Cn1c[nH+]cc1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000515465376 562011398 /nfs/dbraw/zinc/01/13/98/562011398.db2.gz BZTFXVJRWGHBEV-UHFFFAOYSA-N 1 2 354.164 2.413 20 5 FEBDLO C[N@@H+]1CCc2c(cccc2NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000368795239 556414772 /nfs/dbraw/zinc/41/47/72/556414772.db2.gz OILMSABIHNBOSB-UHFFFAOYSA-N 1 2 353.425 2.445 20 5 FEBDLO C[N@H+]1CCc2c(cccc2NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000368795239 556414776 /nfs/dbraw/zinc/41/47/76/556414776.db2.gz OILMSABIHNBOSB-UHFFFAOYSA-N 1 2 353.425 2.445 20 5 FEBDLO Cc1noc([C@@]2(O)CC[N@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)C2)n1 ZINC000368906720 556444546 /nfs/dbraw/zinc/44/45/46/556444546.db2.gz SRAIJZFDGZSXAO-CQSZACIVSA-N 1 2 372.303 2.399 20 5 FEBDLO Cc1noc([C@@]2(O)CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)C2)n1 ZINC000368906720 556444547 /nfs/dbraw/zinc/44/45/47/556444547.db2.gz SRAIJZFDGZSXAO-CQSZACIVSA-N 1 2 372.303 2.399 20 5 FEBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000368966012 556461662 /nfs/dbraw/zinc/46/16/62/556461662.db2.gz MYPCKIZHRNQTII-BHYNMZESSA-N 1 2 355.341 2.282 20 5 FEBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000368966012 556461666 /nfs/dbraw/zinc/46/16/66/556461666.db2.gz MYPCKIZHRNQTII-BHYNMZESSA-N 1 2 355.341 2.282 20 5 FEBDLO CCCC(=O)N1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000369120017 556509968 /nfs/dbraw/zinc/50/99/68/556509968.db2.gz ZFNDIYKMTCXGAE-QGZVFWFLSA-N 1 2 374.441 2.035 20 5 FEBDLO CCCC(=O)N1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000369120017 556509969 /nfs/dbraw/zinc/50/99/69/556509969.db2.gz ZFNDIYKMTCXGAE-QGZVFWFLSA-N 1 2 374.441 2.035 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCOc2c(F)cccc2C1 ZINC000369302563 556568517 /nfs/dbraw/zinc/56/85/17/556568517.db2.gz KRRRWMODJBKEEV-CQSZACIVSA-N 1 2 362.357 2.368 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCOc2c(F)cccc2C1 ZINC000369302563 556568519 /nfs/dbraw/zinc/56/85/19/556568519.db2.gz KRRRWMODJBKEEV-CQSZACIVSA-N 1 2 362.357 2.368 20 5 FEBDLO C[NH+]1CCN(C[C@@H]2CCCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000369308982 556570812 /nfs/dbraw/zinc/57/08/12/556570812.db2.gz DLAQCZJEFGBDKK-DVBCCOPCSA-N 1 2 372.469 2.094 20 5 FEBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C[C@@H](C)O2 ZINC000369318499 556573611 /nfs/dbraw/zinc/57/36/11/556573611.db2.gz DCPLOUHVHQLMCI-VFVRVIDISA-N 1 2 374.397 2.413 20 5 FEBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C[C@@H](C)O2 ZINC000369318499 556573614 /nfs/dbraw/zinc/57/36/14/556573614.db2.gz DCPLOUHVHQLMCI-VFVRVIDISA-N 1 2 374.397 2.413 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000369351597 556577111 /nfs/dbraw/zinc/57/71/11/556577111.db2.gz FGWVZWLBVPIPST-HNNXBMFYSA-N 1 2 357.414 2.460 20 5 FEBDLO COc1cc(C[NH+]2CCC(Oc3cnccn3)CC2)c([N+](=O)[O-])cc1OC ZINC000369682990 556667269 /nfs/dbraw/zinc/66/72/69/556667269.db2.gz VAZUQTHAXFOUDL-UHFFFAOYSA-N 1 2 374.397 2.445 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3nc(-c4ccccn4)no3)C2)nc1 ZINC000369830382 556706710 /nfs/dbraw/zinc/70/67/10/556706710.db2.gz PLELKKLBWYOYLY-LBPRGKRZSA-N 1 2 367.369 2.121 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3nc(-c4ccccn4)no3)C2)nc1 ZINC000369830382 556706712 /nfs/dbraw/zinc/70/67/12/556706712.db2.gz PLELKKLBWYOYLY-LBPRGKRZSA-N 1 2 367.369 2.121 20 5 FEBDLO Cc1c([C@@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000371381508 557167748 /nfs/dbraw/zinc/16/77/48/557167748.db2.gz YRVMRPZPZBSPCB-KRWDZBQOSA-N 1 2 357.414 2.437 20 5 FEBDLO Cc1c([C@@H]2CCC[N@@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000371381508 557167750 /nfs/dbraw/zinc/16/77/50/557167750.db2.gz YRVMRPZPZBSPCB-KRWDZBQOSA-N 1 2 357.414 2.437 20 5 FEBDLO O=C([C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-])N1CCSCC1 ZINC000371585208 557229912 /nfs/dbraw/zinc/22/99/12/557229912.db2.gz OJVUYGAFJXKLKT-HNNXBMFYSA-N 1 2 353.419 2.274 20 5 FEBDLO O=C([C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-])N1CCSCC1 ZINC000371585208 557229917 /nfs/dbraw/zinc/22/99/17/557229917.db2.gz OJVUYGAFJXKLKT-HNNXBMFYSA-N 1 2 353.419 2.274 20 5 FEBDLO O=C(N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000371706989 557270438 /nfs/dbraw/zinc/27/04/38/557270438.db2.gz MPPKPAPIKSLMON-RAEVTNRLSA-N 1 2 351.353 2.024 20 5 FEBDLO O=C(N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000371706989 557270440 /nfs/dbraw/zinc/27/04/40/557270440.db2.gz MPPKPAPIKSLMON-RAEVTNRLSA-N 1 2 351.353 2.024 20 5 FEBDLO Cc1cc(N2CCC(NC(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)nc[nH+]1 ZINC000371911012 557326890 /nfs/dbraw/zinc/32/68/90/557326890.db2.gz JOYIWTXCCBFANA-UHFFFAOYSA-N 1 2 359.361 2.231 20 5 FEBDLO Cc1cc(OCC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000373721399 557745127 /nfs/dbraw/zinc/74/51/27/557745127.db2.gz SXAZSCWIFYCILQ-MRXNPFEDSA-N 1 2 357.366 2.357 20 5 FEBDLO COc1ccccc1[C@H]1CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000374376704 557874305 /nfs/dbraw/zinc/87/43/05/557874305.db2.gz XYQGOXPORNUYIF-OAHLLOKOSA-N 1 2 371.393 2.399 20 5 FEBDLO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000374391293 557877446 /nfs/dbraw/zinc/87/74/46/557877446.db2.gz XGAQNRHJCQBGQR-HNNXBMFYSA-N 1 2 359.357 2.286 20 5 FEBDLO COc1cc(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)c([N+](=O)[O-])cc1OC ZINC000374437132 557883943 /nfs/dbraw/zinc/88/39/43/557883943.db2.gz MHQZLLXIQYLLOH-GFCCVEGCSA-N 1 2 374.397 2.424 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1C ZINC000374753439 557925828 /nfs/dbraw/zinc/92/58/28/557925828.db2.gz LGOONVAEDSACAT-CYBMUJFWSA-N 1 2 350.400 2.461 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000376137175 558131675 /nfs/dbraw/zinc/13/16/75/558131675.db2.gz YIDXNMWSRLIMND-LBTNJELSSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000376137175 558131676 /nfs/dbraw/zinc/13/16/76/558131676.db2.gz YIDXNMWSRLIMND-LBTNJELSSA-N 1 2 363.414 2.192 20 5 FEBDLO C[NH+](C)[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCOc2ccccc21 ZINC000378427658 558554588 /nfs/dbraw/zinc/55/45/88/558554588.db2.gz YDOOOGYBOJPGIG-GOSISDBHSA-N 1 2 357.366 2.479 20 5 FEBDLO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378518655 558574132 /nfs/dbraw/zinc/57/41/32/558574132.db2.gz MZAOTTNDKVZWQB-HNNXBMFYSA-N 1 2 352.354 2.481 20 5 FEBDLO CCOc1cc([N+](=O)[O-])c(C(=O)NCCCCn2cc[nH+]c2)cc1OC ZINC000523662976 562217151 /nfs/dbraw/zinc/21/71/51/562217151.db2.gz LFJVTHWFABJASQ-UHFFFAOYSA-N 1 2 362.386 2.409 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000408182414 558654496 /nfs/dbraw/zinc/65/44/96/558654496.db2.gz KBSYJJWUMNYPQS-TZMCWYRMSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000408182414 558654499 /nfs/dbraw/zinc/65/44/99/558654499.db2.gz KBSYJJWUMNYPQS-TZMCWYRMSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000408338926 558668134 /nfs/dbraw/zinc/66/81/34/558668134.db2.gz NBAPQFHDWXHOIG-HUUCEWRRSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000408338926 558668135 /nfs/dbraw/zinc/66/81/35/558668135.db2.gz NBAPQFHDWXHOIG-HUUCEWRRSA-N 1 2 367.471 2.459 20 5 FEBDLO CC(C)Oc1cc(C(=O)NCC[N@@H+]2CCOCC2(C)C)ccc1[N+](=O)[O-] ZINC000411985233 558999402 /nfs/dbraw/zinc/99/94/02/558999402.db2.gz IQCVHRWMZCSBFP-UHFFFAOYSA-N 1 2 365.430 2.223 20 5 FEBDLO CC(C)Oc1cc(C(=O)NCC[N@H+]2CCOCC2(C)C)ccc1[N+](=O)[O-] ZINC000411985233 558999403 /nfs/dbraw/zinc/99/94/03/558999403.db2.gz IQCVHRWMZCSBFP-UHFFFAOYSA-N 1 2 365.430 2.223 20 5 FEBDLO Cc1nnc([C@@H]2CC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)[nH]1 ZINC000412041960 559005597 /nfs/dbraw/zinc/00/55/97/559005597.db2.gz NMISTEAOSAKERM-GFCCVEGCSA-N 1 2 355.358 2.061 20 5 FEBDLO Cc1nnc([C@@H]2CC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)[nH]1 ZINC000412041960 559005598 /nfs/dbraw/zinc/00/55/98/559005598.db2.gz NMISTEAOSAKERM-GFCCVEGCSA-N 1 2 355.358 2.061 20 5 FEBDLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)n1 ZINC000412041960 559005600 /nfs/dbraw/zinc/00/56/00/559005600.db2.gz NMISTEAOSAKERM-GFCCVEGCSA-N 1 2 355.358 2.061 20 5 FEBDLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)n1 ZINC000412041960 559005602 /nfs/dbraw/zinc/00/56/02/559005602.db2.gz NMISTEAOSAKERM-GFCCVEGCSA-N 1 2 355.358 2.061 20 5 FEBDLO Cc1nc([C@@H]2CC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)n[nH]1 ZINC000412041960 559005604 /nfs/dbraw/zinc/00/56/04/559005604.db2.gz NMISTEAOSAKERM-GFCCVEGCSA-N 1 2 355.358 2.061 20 5 FEBDLO Cc1nc([C@@H]2CC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)n[nH]1 ZINC000412041960 559005605 /nfs/dbraw/zinc/00/56/05/559005605.db2.gz NMISTEAOSAKERM-GFCCVEGCSA-N 1 2 355.358 2.061 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412053854 559007019 /nfs/dbraw/zinc/00/70/19/559007019.db2.gz GRWQWRUJFURANQ-OAHLLOKOSA-N 1 2 374.441 2.319 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412053854 559007020 /nfs/dbraw/zinc/00/70/20/559007020.db2.gz GRWQWRUJFURANQ-OAHLLOKOSA-N 1 2 374.441 2.319 20 5 FEBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CCO1 ZINC000412293713 559025476 /nfs/dbraw/zinc/02/54/76/559025476.db2.gz YSSHFFVZJLZMNH-OAHLLOKOSA-N 1 2 365.430 2.223 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CCO1 ZINC000412293713 559025477 /nfs/dbraw/zinc/02/54/77/559025477.db2.gz YSSHFFVZJLZMNH-OAHLLOKOSA-N 1 2 365.430 2.223 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412339092 559029072 /nfs/dbraw/zinc/02/90/72/559029072.db2.gz OYWZAHJUGKNMKS-HNONPPJISA-N 1 2 359.426 2.020 20 5 FEBDLO COC1([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCOCC1 ZINC000421760931 559552229 /nfs/dbraw/zinc/55/22/29/559552229.db2.gz QDUIXMFISZJDIZ-CYBMUJFWSA-N 1 2 374.397 2.094 20 5 FEBDLO O=C(NC[C@H]1CC[NH2+]CC1(F)F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423698582 559636366 /nfs/dbraw/zinc/63/63/66/559636366.db2.gz NRKKHVNFRWHYJK-SNVBAGLBSA-N 1 2 350.325 2.118 20 5 FEBDLO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425561746 559709920 /nfs/dbraw/zinc/70/99/20/559709920.db2.gz BEKKYIVDPVCMGY-UHFFFAOYSA-N 1 2 367.369 2.025 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000426873058 559743378 /nfs/dbraw/zinc/74/33/78/559743378.db2.gz ZMZQCPBIXYOCSO-HNNXBMFYSA-N 1 2 365.430 2.080 20 5 FEBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CCO1 ZINC000428071983 559769198 /nfs/dbraw/zinc/76/91/98/559769198.db2.gz BLGDPQHZIBGARC-CYBMUJFWSA-N 1 2 353.444 2.157 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CCO1 ZINC000428071983 559769199 /nfs/dbraw/zinc/76/91/99/559769199.db2.gz BLGDPQHZIBGARC-CYBMUJFWSA-N 1 2 353.444 2.157 20 5 FEBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428367255 559773986 /nfs/dbraw/zinc/77/39/86/559773986.db2.gz PJVUHKFXLKIUDS-GFCCVEGCSA-N 1 2 364.789 2.345 20 5 FEBDLO CC(C)([NH2+]CC1=Nc2ccccc2S(=O)(=O)N1)c1ccccc1[N+](=O)[O-] ZINC000429256212 559794042 /nfs/dbraw/zinc/79/40/42/559794042.db2.gz WASCBBLFBNOSRZ-UHFFFAOYSA-N 1 2 374.422 2.442 20 5 FEBDLO CCN1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000433470660 559882451 /nfs/dbraw/zinc/88/24/51/559882451.db2.gz LEYIBPRDVSRVSP-CQSZACIVSA-N 1 2 363.805 2.490 20 5 FEBDLO Cn1c(C(=O)NCc2[nH+]ccn2CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000434381216 559899105 /nfs/dbraw/zinc/89/91/05/559899105.db2.gz BBTDNUPHIROSCN-UHFFFAOYSA-N 1 2 353.382 2.303 20 5 FEBDLO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436736876 559950620 /nfs/dbraw/zinc/95/06/20/559950620.db2.gz PHIVJNDKPZQZMA-MRXNPFEDSA-N 1 2 359.382 2.342 20 5 FEBDLO Cc1cnc(N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000440653726 560015424 /nfs/dbraw/zinc/01/54/24/560015424.db2.gz QPBRGYUNAXMREE-KRWDZBQOSA-N 1 2 350.419 2.198 20 5 FEBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000441490613 560033791 /nfs/dbraw/zinc/03/37/91/560033791.db2.gz MRAFPXDCKAYLOS-QGZVFWFLSA-N 1 2 368.397 2.162 20 5 FEBDLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444670900 560117943 /nfs/dbraw/zinc/11/79/43/560117943.db2.gz BLSUWIWTIBSWRS-CHWSQXEVSA-N 1 2 362.386 2.014 20 5 FEBDLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444670900 560117944 /nfs/dbraw/zinc/11/79/44/560117944.db2.gz BLSUWIWTIBSWRS-CHWSQXEVSA-N 1 2 362.386 2.014 20 5 FEBDLO CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000449475876 560231543 /nfs/dbraw/zinc/23/15/43/560231543.db2.gz YDYFPGGAEGOKIW-UHFFFAOYSA-N 1 2 355.441 2.196 20 5 FEBDLO CC(C)OC(=O)[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449972851 560246804 /nfs/dbraw/zinc/24/68/04/560246804.db2.gz GLUGRGBYNJQUJR-LBPRGKRZSA-N 1 2 360.370 2.098 20 5 FEBDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450248817 560255613 /nfs/dbraw/zinc/25/56/13/560255613.db2.gz YOUSIQGXVIVIIR-CQSZACIVSA-N 1 2 371.441 2.180 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451904745 560336052 /nfs/dbraw/zinc/33/60/52/560336052.db2.gz KITIJDAIZQKCAY-HZMBPMFUSA-N 1 2 361.320 2.087 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451904745 560336053 /nfs/dbraw/zinc/33/60/53/560336053.db2.gz KITIJDAIZQKCAY-HZMBPMFUSA-N 1 2 361.320 2.087 20 5 FEBDLO O=C(N[C@H]([C@H](CO)C1CC1)C1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452974662 560379622 /nfs/dbraw/zinc/37/96/22/560379622.db2.gz ZXSMPMFKOHTBJU-QAPCUYQASA-N 1 2 370.409 2.307 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000456311579 560514871 /nfs/dbraw/zinc/51/48/71/560514871.db2.gz SAJCZFJJUYNZLC-VNQPRFMTSA-N 1 2 370.409 2.404 20 5 FEBDLO Cn1c[nH+]c(CCNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000458643558 560637991 /nfs/dbraw/zinc/63/79/91/560637991.db2.gz WILQMFFLZLCDNX-UHFFFAOYSA-N 1 2 351.794 2.066 20 5 FEBDLO Cn1c[nH+]c(CCNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000459188545 560673170 /nfs/dbraw/zinc/67/31/70/560673170.db2.gz VUZHSPMCBYJCAR-UHFFFAOYSA-N 1 2 355.301 2.294 20 5 FEBDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469029094 560945263 /nfs/dbraw/zinc/94/52/63/560945263.db2.gz VILXEPUUKQCUEF-UHFFFAOYSA-N 1 2 371.393 2.063 20 5 FEBDLO CCC(CC)[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000469510132 560956639 /nfs/dbraw/zinc/95/66/39/560956639.db2.gz ICOWOXFKCWHJPE-KRWDZBQOSA-N 1 2 365.430 2.167 20 5 FEBDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000469827265 560965398 /nfs/dbraw/zinc/96/53/98/560965398.db2.gz BGRHSPWJXDSXML-ONGXEEELSA-N 1 2 355.778 2.070 20 5 FEBDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000469827265 560965399 /nfs/dbraw/zinc/96/53/99/560965399.db2.gz BGRHSPWJXDSXML-ONGXEEELSA-N 1 2 355.778 2.070 20 5 FEBDLO CCN1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000471063891 560997250 /nfs/dbraw/zinc/99/72/50/560997250.db2.gz WLARNIFGZZDGHX-BBRMVZONSA-N 1 2 372.429 2.024 20 5 FEBDLO CCN1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000471067465 560997366 /nfs/dbraw/zinc/99/73/66/560997366.db2.gz WHNBYMBUDXCMLZ-HNNXBMFYSA-N 1 2 363.393 2.344 20 5 FEBDLO Cc1cc(S(=O)(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000533819761 562518984 /nfs/dbraw/zinc/51/89/84/562518984.db2.gz QTIAWGWDMZZLKK-INIZCTEOSA-N 1 2 361.423 2.368 20 5 FEBDLO Cc1cc(S(=O)(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000533819761 562518985 /nfs/dbraw/zinc/51/89/85/562518985.db2.gz QTIAWGWDMZZLKK-INIZCTEOSA-N 1 2 361.423 2.368 20 5 FEBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000535583591 562562040 /nfs/dbraw/zinc/56/20/40/562562040.db2.gz SXAGOVLNLMJTFW-UHFFFAOYSA-N 1 2 365.393 2.001 20 5 FEBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000535583591 562562041 /nfs/dbraw/zinc/56/20/41/562562041.db2.gz SXAGOVLNLMJTFW-UHFFFAOYSA-N 1 2 365.393 2.001 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000541821071 562620498 /nfs/dbraw/zinc/62/04/98/562620498.db2.gz KFSSKZDHLWXVDU-AWEZNQCLSA-N 1 2 367.427 2.386 20 5 FEBDLO Cc1sc(S(=O)(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000545934351 562631481 /nfs/dbraw/zinc/63/14/81/562631481.db2.gz DMLAHLPJIYTIOD-ZDUSSCGKSA-N 1 2 367.452 2.430 20 5 FEBDLO Cc1sc(S(=O)(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000545934351 562631482 /nfs/dbraw/zinc/63/14/82/562631482.db2.gz DMLAHLPJIYTIOD-ZDUSSCGKSA-N 1 2 367.452 2.430 20 5 FEBDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602464521 567983137 /nfs/dbraw/zinc/98/31/37/567983137.db2.gz YVGLIGIYBYBQGK-LBPRGKRZSA-N 1 2 365.384 2.485 20 5 FEBDLO Cn1cc(C[N@H+](CCc2ccccn2)Cc2cccnc2)c([N+](=O)[O-])n1 ZINC000602645294 568003888 /nfs/dbraw/zinc/00/38/88/568003888.db2.gz HRJCOQFTVONPRF-UHFFFAOYSA-N 1 2 352.398 2.363 20 5 FEBDLO Cn1cc(C[N@@H+](CCc2ccccn2)Cc2cccnc2)c([N+](=O)[O-])n1 ZINC000602645294 568003889 /nfs/dbraw/zinc/00/38/89/568003889.db2.gz HRJCOQFTVONPRF-UHFFFAOYSA-N 1 2 352.398 2.363 20 5 FEBDLO COC(=O)COc1ccc(C[NH+]2CC3(CCC3(F)F)C2)cc1[N+](=O)[O-] ZINC000569399533 568400693 /nfs/dbraw/zinc/40/06/93/568400693.db2.gz VFDAEIYZSUIKHI-UHFFFAOYSA-N 1 2 356.325 2.378 20 5 FEBDLO O=[N+]([O-])c1cnc(Oc2cccc(-n3cc[nH+]c3)c2)c(-c2nn[nH]n2)c1 ZINC000738373478 599527609 /nfs/dbraw/zinc/52/76/09/599527609.db2.gz DNQCSDLDKJRWNH-UHFFFAOYSA-N 1 2 350.298 2.148 20 5 FEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000809844870 674516118 /nfs/dbraw/zinc/51/61/18/674516118.db2.gz XHGHPWHLIIQTFQ-VIFPVBQESA-N 1 2 365.814 2.102 20 5 FEBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000809844870 674516119 /nfs/dbraw/zinc/51/61/19/674516119.db2.gz XHGHPWHLIIQTFQ-VIFPVBQESA-N 1 2 365.814 2.102 20 5 FEBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1n1cc[nH+]c1 ZINC000820728106 607047800 /nfs/dbraw/zinc/04/78/00/607047800.db2.gz STHPEBBYWGRSHO-IAQYHMDHSA-N 1 2 354.374 2.059 20 5 FEBDLO CCn1c(SCC[NH+]2CCOCC2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000104975496 670797662 /nfs/dbraw/zinc/79/76/62/670797662.db2.gz RSQMQJBJCVFTBB-UHFFFAOYSA-N 1 2 363.443 2.298 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC(F)(F)c2ccc(Cl)cc2)c1 ZINC000571875232 670935189 /nfs/dbraw/zinc/93/51/89/670935189.db2.gz ZGFOCERAFVNNQA-ZDUSSCGKSA-N 1 2 360.748 2.187 20 5 FEBDLO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000120145596 671918260 /nfs/dbraw/zinc/91/82/60/671918260.db2.gz IOECWSQARFNSKS-UHFFFAOYSA-N 1 2 364.793 2.148 20 5 FEBDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000122458402 671966825 /nfs/dbraw/zinc/96/68/25/671966825.db2.gz JTTCQAVPCBCHPX-QWHCGFSZSA-N 1 2 353.423 2.374 20 5 FEBDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000122458402 671966827 /nfs/dbraw/zinc/96/68/27/671966827.db2.gz JTTCQAVPCBCHPX-QWHCGFSZSA-N 1 2 353.423 2.374 20 5 FEBDLO Cc1nn(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000170638569 672323103 /nfs/dbraw/zinc/32/31/03/672323103.db2.gz OHUAOQPNXNEEDW-CYBMUJFWSA-N 1 2 353.423 2.212 20 5 FEBDLO Cc1nn(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000170638569 672323106 /nfs/dbraw/zinc/32/31/06/672323106.db2.gz OHUAOQPNXNEEDW-CYBMUJFWSA-N 1 2 353.423 2.212 20 5 FEBDLO Cc1cc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000590588989 672592752 /nfs/dbraw/zinc/59/27/52/672592752.db2.gz FWMQYHAFGWWQMX-CYBMUJFWSA-N 1 2 371.390 2.217 20 5 FEBDLO COC(=O)[C@@H]1CCCCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000611575666 676045115 /nfs/dbraw/zinc/04/51/15/676045115.db2.gz JNSZAXCDJJPRBT-AWEZNQCLSA-N 1 2 352.387 2.400 20 5 FEBDLO COC(=O)[C@@H]1CCCCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000611575666 676045117 /nfs/dbraw/zinc/04/51/17/676045117.db2.gz JNSZAXCDJJPRBT-AWEZNQCLSA-N 1 2 352.387 2.400 20 5 FEBDLO C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000612556046 676087584 /nfs/dbraw/zinc/08/75/84/676087584.db2.gz JACWECRWHUNDSF-JOYOIKCWSA-N 1 2 361.320 2.063 20 5 FEBDLO C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@H]1C[N@@H+](C)CCO1 ZINC000612556046 676087587 /nfs/dbraw/zinc/08/75/87/676087587.db2.gz JACWECRWHUNDSF-JOYOIKCWSA-N 1 2 361.320 2.063 20 5 FEBDLO NC(=O)CC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000727158731 673158600 /nfs/dbraw/zinc/15/86/00/673158600.db2.gz XYUDWAVLHYZNSU-NSHDSACASA-N 1 2 368.821 2.164 20 5 FEBDLO NC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000727158731 673158603 /nfs/dbraw/zinc/15/86/03/673158603.db2.gz XYUDWAVLHYZNSU-NSHDSACASA-N 1 2 368.821 2.164 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595068366 673190488 /nfs/dbraw/zinc/19/04/88/673190488.db2.gz LLHFLBQEGFLISN-ZIAGYGMSSA-N 1 2 352.341 2.432 20 5 FEBDLO O=C1CC[C@@H]2C[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595728209 673286355 /nfs/dbraw/zinc/28/63/55/673286355.db2.gz LRVHMZRNOYBPCV-ZWNOBZJWSA-N 1 2 368.231 2.458 20 5 FEBDLO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595728209 673286358 /nfs/dbraw/zinc/28/63/58/673286358.db2.gz LRVHMZRNOYBPCV-ZWNOBZJWSA-N 1 2 368.231 2.458 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595782394 673324831 /nfs/dbraw/zinc/32/48/31/673324831.db2.gz ZETOERMOGCEXIW-FRRDWIJNSA-N 1 2 351.403 2.430 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595782394 673324833 /nfs/dbraw/zinc/32/48/33/673324833.db2.gz ZETOERMOGCEXIW-FRRDWIJNSA-N 1 2 351.403 2.430 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000598000496 673529030 /nfs/dbraw/zinc/52/90/30/673529030.db2.gz VGVWYCHUHMOMBU-NEPJUHHUSA-N 1 2 353.444 2.156 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000598000496 673529032 /nfs/dbraw/zinc/52/90/32/673529032.db2.gz VGVWYCHUHMOMBU-NEPJUHHUSA-N 1 2 353.444 2.156 20 5 FEBDLO C[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000542895540 673613627 /nfs/dbraw/zinc/61/36/27/673613627.db2.gz XZYBSUICVCWMTB-JTQLQIEISA-N 1 2 354.313 2.459 20 5 FEBDLO CC(C)[C@@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[NH+]1CCOCC1 ZINC000601101576 673826086 /nfs/dbraw/zinc/82/60/86/673826086.db2.gz OUNWVOXZDYZTCE-SNVBAGLBSA-N 1 2 365.356 2.116 20 5 FEBDLO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)OC(C)(C)C ZINC000602504609 673907082 /nfs/dbraw/zinc/90/70/82/673907082.db2.gz IHRIKYPYFPKVHC-LBPRGKRZSA-N 1 2 350.419 2.278 20 5 FEBDLO Cn1cc(C[NH2+][C@@](C)(CO)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])n1 ZINC000602779556 673910883 /nfs/dbraw/zinc/91/08/83/673910883.db2.gz ILJNSARPOFSCDG-AWEZNQCLSA-N 1 2 358.320 2.344 20 5 FEBDLO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000548410955 673956581 /nfs/dbraw/zinc/95/65/81/673956581.db2.gz WRMBPWWJBCZOOB-UHFFFAOYSA-N 1 2 363.805 2.319 20 5 FEBDLO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000548410955 673956584 /nfs/dbraw/zinc/95/65/84/673956584.db2.gz WRMBPWWJBCZOOB-UHFFFAOYSA-N 1 2 363.805 2.319 20 5 FEBDLO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000822528721 675490569 /nfs/dbraw/zinc/49/05/69/675490569.db2.gz IUJQHAQFHIENLD-VIFPVBQESA-N 1 2 365.777 2.222 20 5 FEBDLO O=C(NC[C@@H]1CSCCS1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000826753203 675703584 /nfs/dbraw/zinc/70/35/84/675703584.db2.gz OOPRAZPFXRDHIB-GFCCVEGCSA-N 1 2 364.452 2.359 20 5 FEBDLO O=C(NCC1=CC[N@H+](Cc2cccc(F)c2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000673706 680437002 /nfs/dbraw/zinc/43/70/02/680437002.db2.gz JNGPWUPDTJMMIO-UKRRQHHQSA-N 1 2 367.808 2.393 20 5 FEBDLO O=C(NCC1=CC[N@@H+](Cc2cccc(F)c2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000673706 680437003 /nfs/dbraw/zinc/43/70/03/680437003.db2.gz JNGPWUPDTJMMIO-UKRRQHHQSA-N 1 2 367.808 2.393 20 5 FEBDLO O=C(NCC1CC[NH+](Cc2cc(Cl)ccc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001399059 680460130 /nfs/dbraw/zinc/46/01/30/680460130.db2.gz HXSOGMQCFHNTOS-GDBMZVCRSA-N 1 2 369.824 2.473 20 5 FEBDLO CCOCC[NH+]1CCN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC000836671461 680497529 /nfs/dbraw/zinc/49/75/29/680497529.db2.gz CFLBQGXCXNANCR-UHFFFAOYSA-N 1 2 355.822 2.351 20 5 FEBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001042711096 680539517 /nfs/dbraw/zinc/53/95/17/680539517.db2.gz POYKBKHBESEMHU-ZIAGYGMSSA-N 1 2 357.332 2.013 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000768562077 680950583 /nfs/dbraw/zinc/95/05/83/680950583.db2.gz MTTCJRRQUHEAHO-MNOVXSKESA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000768562077 680950584 /nfs/dbraw/zinc/95/05/84/680950584.db2.gz MTTCJRRQUHEAHO-MNOVXSKESA-N 1 2 361.851 2.270 20 5 FEBDLO CC(C)(C)OC(=O)NCCC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000844751529 681079735 /nfs/dbraw/zinc/07/97/35/681079735.db2.gz VZSYXGCNGBYSOJ-UHFFFAOYSA-N 1 2 353.423 2.376 20 5 FEBDLO Cc1noc([C@H](C)[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)n1 ZINC000847055865 681325985 /nfs/dbraw/zinc/32/59/85/681325985.db2.gz GCUMXIMDHANZNQ-VIFPVBQESA-N 1 2 351.338 2.447 20 5 FEBDLO Cc1noc([C@H](C)[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)n1 ZINC000847055865 681325986 /nfs/dbraw/zinc/32/59/86/681325986.db2.gz GCUMXIMDHANZNQ-VIFPVBQESA-N 1 2 351.338 2.447 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1F ZINC000847176200 681340027 /nfs/dbraw/zinc/34/00/27/681340027.db2.gz ACVAVYLZOPTNNQ-UPJWGTAASA-N 1 2 353.394 2.270 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1F ZINC000847176200 681340031 /nfs/dbraw/zinc/34/00/31/681340031.db2.gz ACVAVYLZOPTNNQ-UPJWGTAASA-N 1 2 353.394 2.270 20 5 FEBDLO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847179158 681340402 /nfs/dbraw/zinc/34/04/02/681340402.db2.gz IDCGAGYDZLCVNE-UTUOFQBUSA-N 1 2 355.822 2.476 20 5 FEBDLO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847179158 681340405 /nfs/dbraw/zinc/34/04/05/681340405.db2.gz IDCGAGYDZLCVNE-UTUOFQBUSA-N 1 2 355.822 2.476 20 5 FEBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000874711527 685451474 /nfs/dbraw/zinc/45/14/74/685451474.db2.gz QEVXSTXPATYMPU-GFCCVEGCSA-N 1 2 355.822 2.397 20 5 FEBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000874711527 685451478 /nfs/dbraw/zinc/45/14/78/685451478.db2.gz QEVXSTXPATYMPU-GFCCVEGCSA-N 1 2 355.822 2.397 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000915854170 685518960 /nfs/dbraw/zinc/51/89/60/685518960.db2.gz HBLRWSZHIYWLCT-CYBMUJFWSA-N 1 2 350.419 2.066 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000915854170 685518961 /nfs/dbraw/zinc/51/89/61/685518961.db2.gz HBLRWSZHIYWLCT-CYBMUJFWSA-N 1 2 350.419 2.066 20 5 FEBDLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000788084013 682502385 /nfs/dbraw/zinc/50/23/85/682502385.db2.gz OTPOFQUBRYAYQN-AWEZNQCLSA-N 1 2 351.378 2.396 20 5 FEBDLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000788084013 682502386 /nfs/dbraw/zinc/50/23/86/682502386.db2.gz OTPOFQUBRYAYQN-AWEZNQCLSA-N 1 2 351.378 2.396 20 5 FEBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000794642794 682986550 /nfs/dbraw/zinc/98/65/50/682986550.db2.gz NYTAWTAXYBTSSP-UHFFFAOYSA-N 1 2 365.411 2.058 20 5 FEBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000794642794 682986554 /nfs/dbraw/zinc/98/65/54/682986554.db2.gz NYTAWTAXYBTSSP-UHFFFAOYSA-N 1 2 365.411 2.058 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861669783 683453003 /nfs/dbraw/zinc/45/30/03/683453003.db2.gz CSKNFICRJQGKAA-NEPJUHHUSA-N 1 2 353.806 2.183 20 5 FEBDLO COCC1(O)CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000930103999 683679404 /nfs/dbraw/zinc/67/94/04/683679404.db2.gz KXENWVVUXICMPJ-UHFFFAOYSA-N 1 2 359.220 2.331 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000932051428 684398500 /nfs/dbraw/zinc/39/85/00/684398500.db2.gz GIFFFLYGRSZJHT-RYUDHWBXSA-N 1 2 353.444 2.156 20 5 FEBDLO CC(C)(CCC(=O)NCc1cc[nH+]c(N2CCSCC2)c1)[N+](=O)[O-] ZINC000870996706 684778538 /nfs/dbraw/zinc/77/85/38/684778538.db2.gz FTLGTKPENXXCLO-UHFFFAOYSA-N 1 2 352.460 2.087 20 5 FEBDLO C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872085672 684918644 /nfs/dbraw/zinc/91/86/44/684918644.db2.gz OIVRFZXAPSBDHB-QMMMGPOBSA-N 1 2 358.313 2.362 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880316739 687033306 /nfs/dbraw/zinc/03/33/06/687033306.db2.gz GUVWBUHBGKLDPV-NSHDSACASA-N 1 2 362.411 2.488 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880316739 687033312 /nfs/dbraw/zinc/03/33/12/687033312.db2.gz GUVWBUHBGKLDPV-NSHDSACASA-N 1 2 362.411 2.488 20 5 FEBDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)Oc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000881855516 687235443 /nfs/dbraw/zinc/23/54/43/687235443.db2.gz RSNYFPREUSCUGH-UHFFFAOYSA-N 1 2 366.370 2.490 20 5 FEBDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)Oc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000881855516 687235447 /nfs/dbraw/zinc/23/54/47/687235447.db2.gz RSNYFPREUSCUGH-UHFFFAOYSA-N 1 2 366.370 2.490 20 5 FEBDLO O=[N+]([O-])c1c(Br)cc(F)cc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000882114463 687306300 /nfs/dbraw/zinc/30/63/00/687306300.db2.gz QTZIKVXSKMDDBE-LLVKDONJSA-N 1 2 374.210 2.407 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886801144 688314791 /nfs/dbraw/zinc/31/47/91/688314791.db2.gz IITSZSBMWGRWNT-YGRLFVJLSA-N 1 2 361.320 2.169 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886801144 688314796 /nfs/dbraw/zinc/31/47/96/688314796.db2.gz IITSZSBMWGRWNT-YGRLFVJLSA-N 1 2 361.320 2.169 20 5 FEBDLO Cn1ncc([N+](=O)[O-])c1N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000893057551 689289599 /nfs/dbraw/zinc/28/95/99/689289599.db2.gz ZJOPLLMPSBZCLV-HUUCEWRRSA-N 1 2 365.821 2.466 20 5 FEBDLO Cn1ncc([N+](=O)[O-])c1N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000893057551 689289603 /nfs/dbraw/zinc/28/96/03/689289603.db2.gz ZJOPLLMPSBZCLV-HUUCEWRRSA-N 1 2 365.821 2.466 20 5 FEBDLO C[C@@H](Nc1cccc(Br)c1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000895244922 689683524 /nfs/dbraw/zinc/68/35/24/689683524.db2.gz ATKKDTRDWLNFDV-MFKMUULPSA-N 1 2 357.252 2.404 20 5 FEBDLO C[C@@H](Nc1cccc(Br)c1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000895244922 689683527 /nfs/dbraw/zinc/68/35/27/689683527.db2.gz ATKKDTRDWLNFDV-MFKMUULPSA-N 1 2 357.252 2.404 20 5 FEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800201648 674032590 /nfs/dbraw/zinc/03/25/90/674032590.db2.gz KCYCRDYDFHQQEB-GDBMZVCRSA-N 1 2 350.415 2.427 20 5 FEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800201648 674032592 /nfs/dbraw/zinc/03/25/92/674032592.db2.gz KCYCRDYDFHQQEB-GDBMZVCRSA-N 1 2 350.415 2.427 20 5 FEBDLO COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)c2[nH+]ccn2C)cc1 ZINC000024026236 539723714 /nfs/dbraw/zinc/72/37/14/539723714.db2.gz BIPSBWBBYDMYNC-INIZCTEOSA-N 1 2 369.381 2.195 20 5 FEBDLO Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026485399 539788516 /nfs/dbraw/zinc/78/85/16/539788516.db2.gz YRIDLLAQOBMEFA-HNNXBMFYSA-N 1 2 369.425 2.447 20 5 FEBDLO Cc1cccc(N2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)c1 ZINC000027386015 539806608 /nfs/dbraw/zinc/80/66/08/539806608.db2.gz ANLKWTIBZWMANN-UHFFFAOYSA-N 1 2 354.410 2.324 20 5 FEBDLO CN(C)c1ccc(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c[nH+]1 ZINC000042046940 540047355 /nfs/dbraw/zinc/04/73/55/540047355.db2.gz KLIJCXPWPFCKEW-UHFFFAOYSA-N 1 2 366.381 2.172 20 5 FEBDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000045032486 540147343 /nfs/dbraw/zinc/14/73/43/540147343.db2.gz YHKFGZBBRMIRQN-UHFFFAOYSA-N 1 2 357.370 2.148 20 5 FEBDLO COc1ccc(NC(=O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000052844420 540493459 /nfs/dbraw/zinc/49/34/59/540493459.db2.gz NVGCXETXOPJXFD-UHFFFAOYSA-N 1 2 370.409 2.364 20 5 FEBDLO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000052987639 540504977 /nfs/dbraw/zinc/50/49/77/540504977.db2.gz PEGCLUSUMAVNJZ-QGZVFWFLSA-N 1 2 355.394 2.398 20 5 FEBDLO COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)c2[nH+]ccn2C)cc1 ZINC000053477795 540538137 /nfs/dbraw/zinc/53/81/37/540538137.db2.gz JFWPYIAZCIHUPN-OAHLLOKOSA-N 1 2 355.354 2.184 20 5 FEBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000054645556 540599570 /nfs/dbraw/zinc/59/95/70/540599570.db2.gz OLUXPVJHWGDVSD-UHFFFAOYSA-N 1 2 369.425 2.060 20 5 FEBDLO CCC[C@H](C)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000055104400 540628487 /nfs/dbraw/zinc/62/84/87/540628487.db2.gz GMAZVVCNPAZXLT-ZDUSSCGKSA-N 1 2 370.475 2.131 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC000055583960 540661721 /nfs/dbraw/zinc/66/17/21/540661721.db2.gz IUSGDTGAXXFFPT-UHFFFAOYSA-N 1 2 373.862 2.497 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000060391698 541109071 /nfs/dbraw/zinc/10/90/71/541109071.db2.gz ZFOSXEKLDLKSOP-CYBMUJFWSA-N 1 2 353.806 2.185 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2cn3ccccc3[nH+]2)cc1C ZINC000060497463 541114476 /nfs/dbraw/zinc/11/44/76/541114476.db2.gz HOIFKURQXRYMQQ-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO C[N@H+](Cc1ccccc1F)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000061021103 541125117 /nfs/dbraw/zinc/12/51/17/541125117.db2.gz GECZZSOBFQWGIO-INIZCTEOSA-N 1 2 357.341 2.498 20 5 FEBDLO C[N@@H+](Cc1ccccc1F)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000061021103 541125120 /nfs/dbraw/zinc/12/51/20/541125120.db2.gz GECZZSOBFQWGIO-INIZCTEOSA-N 1 2 357.341 2.498 20 5 FEBDLO Cn1cc(C(=O)NCCNc2cccc[nH+]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065044665 541224452 /nfs/dbraw/zinc/22/44/52/541224452.db2.gz LMTGWHBWWULTCX-UHFFFAOYSA-N 1 2 366.381 2.232 20 5 FEBDLO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccs2)CC1 ZINC000065858025 541267403 /nfs/dbraw/zinc/26/74/03/541267403.db2.gz HAPWHRKTNSGDHJ-UHFFFAOYSA-N 1 2 360.439 2.413 20 5 FEBDLO O=C(NCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1F ZINC000066467846 541321473 /nfs/dbraw/zinc/32/14/73/541321473.db2.gz ATPUITQOSRLSNK-UHFFFAOYSA-N 1 2 372.400 2.286 20 5 FEBDLO CS(=O)(=O)c1ccc(NCc2ccnc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000068320594 541576536 /nfs/dbraw/zinc/57/65/36/541576536.db2.gz BZZSDDKISKRHPZ-UHFFFAOYSA-N 1 2 373.394 2.191 20 5 FEBDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1[N+](=O)[O-] ZINC000069687477 541704386 /nfs/dbraw/zinc/70/43/86/541704386.db2.gz GZGCVQQVESBTBP-MRXNPFEDSA-N 1 2 355.394 2.226 20 5 FEBDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1[N+](=O)[O-] ZINC000069687477 541704391 /nfs/dbraw/zinc/70/43/91/541704391.db2.gz GZGCVQQVESBTBP-MRXNPFEDSA-N 1 2 355.394 2.226 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nc(-c4ccco4)no3)C2)nc1 ZINC000072665033 541847510 /nfs/dbraw/zinc/84/75/10/541847510.db2.gz FPPNGCSDQZANGW-LLVKDONJSA-N 1 2 356.342 2.319 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3nc(-c4ccco4)no3)C2)nc1 ZINC000072665033 541847513 /nfs/dbraw/zinc/84/75/13/541847513.db2.gz FPPNGCSDQZANGW-LLVKDONJSA-N 1 2 356.342 2.319 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3nc(-c4ccco4)no3)C2)nc1 ZINC000072665032 541847529 /nfs/dbraw/zinc/84/75/29/541847529.db2.gz FPPNGCSDQZANGW-NSHDSACASA-N 1 2 356.342 2.319 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3nc(-c4ccco4)no3)C2)nc1 ZINC000072665032 541847533 /nfs/dbraw/zinc/84/75/33/541847533.db2.gz FPPNGCSDQZANGW-NSHDSACASA-N 1 2 356.342 2.319 20 5 FEBDLO CC(C)OCC[NH+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000074391172 542078732 /nfs/dbraw/zinc/07/87/32/542078732.db2.gz YWKKZMFZJGHCNJ-UHFFFAOYSA-N 1 2 360.414 2.259 20 5 FEBDLO COC(=O)[C@@]1(F)CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000074777571 542120456 /nfs/dbraw/zinc/12/04/56/542120456.db2.gz DTDOMIRXHAATPZ-QGZVFWFLSA-N 1 2 360.345 2.452 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])cc(F)c1F)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000078189437 542447371 /nfs/dbraw/zinc/44/73/71/542447371.db2.gz WKUQKZIEWIMTMV-LBPRGKRZSA-N 1 2 369.368 2.200 20 5 FEBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078146611 542445135 /nfs/dbraw/zinc/44/51/35/542445135.db2.gz WDGMXVMHPROHQX-XJKSGUPXSA-N 1 2 359.382 2.207 20 5 FEBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078146611 542445139 /nfs/dbraw/zinc/44/51/39/542445139.db2.gz WDGMXVMHPROHQX-XJKSGUPXSA-N 1 2 359.382 2.207 20 5 FEBDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000078544515 542467252 /nfs/dbraw/zinc/46/72/52/542467252.db2.gz IDFNBTMMUSZHRA-LLVKDONJSA-N 1 2 355.826 2.006 20 5 FEBDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000078699925 542476697 /nfs/dbraw/zinc/47/66/97/542476697.db2.gz FTSNTMBOANPUEH-QGZVFWFLSA-N 1 2 358.398 2.035 20 5 FEBDLO CC(C)OCC[NH+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000080482657 542591640 /nfs/dbraw/zinc/59/16/40/542591640.db2.gz GGPFNVJNPRESNH-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO O=C(NCC1([NH+]2CCOCC2)CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000081763002 542675855 /nfs/dbraw/zinc/67/58/55/542675855.db2.gz JZDBYKXKJDAYPG-UHFFFAOYSA-N 1 2 351.378 2.109 20 5 FEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000088595342 542753978 /nfs/dbraw/zinc/75/39/78/542753978.db2.gz UORILALJYFDMCZ-CVEARBPZSA-N 1 2 360.458 2.284 20 5 FEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000088595342 542753980 /nfs/dbraw/zinc/75/39/80/542753980.db2.gz UORILALJYFDMCZ-CVEARBPZSA-N 1 2 360.458 2.284 20 5 FEBDLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092189336 542848222 /nfs/dbraw/zinc/84/82/22/542848222.db2.gz CLIXCHQSLAGGKQ-ZDUSSCGKSA-N 1 2 370.356 2.186 20 5 FEBDLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092189336 542848223 /nfs/dbraw/zinc/84/82/23/542848223.db2.gz CLIXCHQSLAGGKQ-ZDUSSCGKSA-N 1 2 370.356 2.186 20 5 FEBDLO O=[N+]([O-])c1c(NCc2ccc[nH+]c2N2CCOCC2)nc2sccn21 ZINC000045026581 136121861 /nfs/dbraw/zinc/12/18/61/136121861.db2.gz ALLDKXKFCUJVQM-UHFFFAOYSA-N 1 2 360.399 2.148 20 5 FEBDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])no1 ZINC000101531487 543029113 /nfs/dbraw/zinc/02/91/13/543029113.db2.gz PLILWOQNEJYPJM-UHFFFAOYSA-N 1 2 367.793 2.358 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000101923033 543049945 /nfs/dbraw/zinc/04/99/45/543049945.db2.gz XRXCKCDDWXTKPY-UHFFFAOYSA-N 1 2 350.400 2.126 20 5 FEBDLO COc1cc(C[N@H+](C)[C@H]2CCCCNC2=O)c([N+](=O)[O-])cc1OC(F)F ZINC000105614074 543178005 /nfs/dbraw/zinc/17/80/05/543178005.db2.gz FAMKLOCMHZWVFQ-NSHDSACASA-N 1 2 373.356 2.305 20 5 FEBDLO COc1cc(C[N@@H+](C)[C@H]2CCCCNC2=O)c([N+](=O)[O-])cc1OC(F)F ZINC000105614074 543178008 /nfs/dbraw/zinc/17/80/08/543178008.db2.gz FAMKLOCMHZWVFQ-NSHDSACASA-N 1 2 373.356 2.305 20 5 FEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858768 543541810 /nfs/dbraw/zinc/54/18/10/543541810.db2.gz JMDJNGWTLKIYMX-WFASDCNBSA-N 1 2 365.455 2.055 20 5 FEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114858768 543541813 /nfs/dbraw/zinc/54/18/13/543541813.db2.gz JMDJNGWTLKIYMX-WFASDCNBSA-N 1 2 365.455 2.055 20 5 FEBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000122966118 543734255 /nfs/dbraw/zinc/73/42/55/543734255.db2.gz BBKZJLVNRPVDHT-UHFFFAOYSA-N 1 2 363.399 2.390 20 5 FEBDLO COc1cc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000126345000 543931373 /nfs/dbraw/zinc/93/13/73/543931373.db2.gz ZYHKBUYEXSMNNM-VHMAXNEBSA-N 1 2 366.386 2.404 20 5 FEBDLO COc1cc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000126345000 543931374 /nfs/dbraw/zinc/93/13/74/543931374.db2.gz ZYHKBUYEXSMNNM-VHMAXNEBSA-N 1 2 366.386 2.404 20 5 FEBDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000127458945 543994455 /nfs/dbraw/zinc/99/44/55/543994455.db2.gz BMABCVRXJKQQSY-UHFFFAOYSA-N 1 2 371.802 2.485 20 5 FEBDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000128430352 544052173 /nfs/dbraw/zinc/05/21/73/544052173.db2.gz GBCHEEAQNCPXOJ-OAHLLOKOSA-N 1 2 373.413 2.478 20 5 FEBDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000128430352 544052175 /nfs/dbraw/zinc/05/21/75/544052175.db2.gz GBCHEEAQNCPXOJ-OAHLLOKOSA-N 1 2 373.413 2.478 20 5 FEBDLO CN(C)c1[nH+]cccc1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146796092 544442315 /nfs/dbraw/zinc/44/23/15/544442315.db2.gz FGZMSMRXRUVBML-UHFFFAOYSA-N 1 2 370.818 2.188 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000151260831 544522169 /nfs/dbraw/zinc/52/21/69/544522169.db2.gz OSRRHKLKQLVYCI-IUODEOHRSA-N 1 2 364.427 2.372 20 5 FEBDLO O=C(NCc1[nH+]ccn1CCCc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000152533706 544665537 /nfs/dbraw/zinc/66/55/37/544665537.db2.gz LONWBABDPMDLAK-UHFFFAOYSA-N 1 2 354.370 2.077 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)ccc1Cl ZINC000154731638 544942942 /nfs/dbraw/zinc/94/29/42/544942942.db2.gz UIESMNLSGFSXAA-CYBMUJFWSA-N 1 2 373.862 2.248 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)ccc1Cl ZINC000154731638 544942945 /nfs/dbraw/zinc/94/29/45/544942945.db2.gz UIESMNLSGFSXAA-CYBMUJFWSA-N 1 2 373.862 2.248 20 5 FEBDLO CC(C)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nc(C2CC2)no1 ZINC000179800893 327660345 /nfs/dbraw/zinc/66/03/45/327660345.db2.gz NEWCFSAQRIMFNF-CQSZACIVSA-N 1 2 359.386 2.441 20 5 FEBDLO O=C(N[C@@H](CCO)c1ccco1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000187945857 328055809 /nfs/dbraw/zinc/05/58/09/328055809.db2.gz RHXITTIIIOWTGS-ZDUSSCGKSA-N 1 2 356.338 2.227 20 5 FEBDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000188781265 328110428 /nfs/dbraw/zinc/11/04/28/328110428.db2.gz TZAMJTNXIARWIT-DOTOQJQBSA-N 1 2 360.366 2.353 20 5 FEBDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000188781265 328110430 /nfs/dbraw/zinc/11/04/30/328110430.db2.gz TZAMJTNXIARWIT-DOTOQJQBSA-N 1 2 360.366 2.353 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000189853690 328171666 /nfs/dbraw/zinc/17/16/66/328171666.db2.gz LPDBAXLFYUIDFT-CQSZACIVSA-N 1 2 353.444 2.070 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000189853690 328171668 /nfs/dbraw/zinc/17/16/68/328171668.db2.gz LPDBAXLFYUIDFT-CQSZACIVSA-N 1 2 353.444 2.070 20 5 FEBDLO CCS(=O)(=O)CCCCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000190357636 328202672 /nfs/dbraw/zinc/20/26/72/328202672.db2.gz WJASVIWDNVFCJU-UHFFFAOYSA-N 1 2 369.487 2.322 20 5 FEBDLO COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC000191559080 328271330 /nfs/dbraw/zinc/27/13/30/328271330.db2.gz YLAHJGWMWSEMMP-UHFFFAOYSA-N 1 2 368.349 2.086 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000191907629 328288250 /nfs/dbraw/zinc/28/82/50/328288250.db2.gz FTCUEBVFVGJSGX-UHFFFAOYSA-N 1 2 364.427 2.434 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)c2ccc[nH+]c2N(C)C)c1C ZINC000080279845 325126954 /nfs/dbraw/zinc/12/69/54/325126954.db2.gz CBLASZVKVKUXQY-UHFFFAOYSA-N 1 2 364.427 2.498 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCOC(C)C)CC2)c1 ZINC000080488128 325132655 /nfs/dbraw/zinc/13/26/55/325132655.db2.gz GUDINHKZMVCJBH-UHFFFAOYSA-N 1 2 367.471 2.500 20 5 FEBDLO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000109095684 325658743 /nfs/dbraw/zinc/65/87/43/325658743.db2.gz OFKPASBEVSDAPF-OAHLLOKOSA-N 1 2 367.369 2.266 20 5 FEBDLO CN(Cc1[nH+]ccn1C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116749041 326032270 /nfs/dbraw/zinc/03/22/70/326032270.db2.gz ZVQCOCKNKVIMBF-UHFFFAOYSA-N 1 2 352.778 2.409 20 5 FEBDLO Cc1c(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000118792976 326102635 /nfs/dbraw/zinc/10/26/35/326102635.db2.gz VQPTWBPNARUQJC-UHFFFAOYSA-N 1 2 374.401 2.076 20 5 FEBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)n1 ZINC000120295460 326247367 /nfs/dbraw/zinc/24/73/67/326247367.db2.gz JRGFOOKMXVDONN-CQSZACIVSA-N 1 2 353.386 2.414 20 5 FEBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)n1 ZINC000120295460 326247370 /nfs/dbraw/zinc/24/73/70/326247370.db2.gz JRGFOOKMXVDONN-CQSZACIVSA-N 1 2 353.386 2.414 20 5 FEBDLO COCCCOC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000122439711 326397043 /nfs/dbraw/zinc/39/70/43/326397043.db2.gz KLHMULRWXTZHLR-CQSZACIVSA-N 1 2 365.430 2.439 20 5 FEBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130988750 326567011 /nfs/dbraw/zinc/56/70/11/326567011.db2.gz VYAVSUUNALAHTM-UHFFFAOYSA-N 1 2 371.393 2.024 20 5 FEBDLO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000131238368 326570657 /nfs/dbraw/zinc/57/06/57/326570657.db2.gz OFOHYEUMDQWFOZ-CQSZACIVSA-N 1 2 355.398 2.187 20 5 FEBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000152446305 326707647 /nfs/dbraw/zinc/70/76/47/326707647.db2.gz SFDKWTBWDDGYDM-CYBMUJFWSA-N 1 2 374.372 2.293 20 5 FEBDLO O=C(NCCCn1cc[nH+]c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174006810 327300953 /nfs/dbraw/zinc/30/09/53/327300953.db2.gz KPAHZGXJMDIZIC-UHFFFAOYSA-N 1 2 373.413 2.434 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000175063027 327371833 /nfs/dbraw/zinc/37/18/33/327371833.db2.gz CEZOPFUFSBIJMZ-CQSZACIVSA-N 1 2 367.427 2.386 20 5 FEBDLO Cc1nn(C)c(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000264189316 328998179 /nfs/dbraw/zinc/99/81/79/328998179.db2.gz FYAQMMMJFWXOFP-ZDUSSCGKSA-N 1 2 373.413 2.282 20 5 FEBDLO Nc1c(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cccc1[N+](=O)[O-] ZINC000267224203 329304176 /nfs/dbraw/zinc/30/41/76/329304176.db2.gz XFXQQPDKGHYFNK-UHFFFAOYSA-N 1 2 355.398 2.492 20 5 FEBDLO Cc1nc(NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000268472609 329424003 /nfs/dbraw/zinc/42/40/03/329424003.db2.gz JVTQJHPTGICDIK-UHFFFAOYSA-N 1 2 370.413 2.007 20 5 FEBDLO COc1cc(C)[nH+]c(CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000271187433 329670933 /nfs/dbraw/zinc/67/09/33/329670933.db2.gz FCVYRYUGUVMIHN-SFHVURJKSA-N 1 2 370.365 2.274 20 5 FEBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272078702 329750080 /nfs/dbraw/zinc/75/00/80/329750080.db2.gz ANKZJJFYMJZNMA-LLVKDONJSA-N 1 2 368.390 2.334 20 5 FEBDLO C[C@H](CC[S@](C)=O)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272569535 329792899 /nfs/dbraw/zinc/79/28/99/329792899.db2.gz VRJBXFZNHSHLKQ-PIQRMGSASA-N 1 2 350.444 2.164 20 5 FEBDLO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000274517324 329956801 /nfs/dbraw/zinc/95/68/01/329956801.db2.gz XGZKSMWZKQZJGC-GDBMZVCRSA-N 1 2 373.413 2.238 20 5 FEBDLO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@@H+]1CC(C)(C)O ZINC000275581604 330066467 /nfs/dbraw/zinc/06/64/67/330066467.db2.gz QIHQNOFGYLUTFP-JTQLQIEISA-N 1 2 373.251 2.034 20 5 FEBDLO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@H+]1CC(C)(C)O ZINC000275581604 330066469 /nfs/dbraw/zinc/06/64/69/330066469.db2.gz QIHQNOFGYLUTFP-JTQLQIEISA-N 1 2 373.251 2.034 20 5 FEBDLO Cc1n[nH]c(C(=O)N2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)c1[N+](=O)[O-] ZINC000275746187 330084360 /nfs/dbraw/zinc/08/43/60/330084360.db2.gz UGIPGSFXZOVCHE-LBPRGKRZSA-N 1 2 358.402 2.097 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000276202931 330128913 /nfs/dbraw/zinc/12/89/13/330128913.db2.gz IWOZWBGVUHHZFN-LBPRGKRZSA-N 1 2 362.411 2.084 20 5 FEBDLO CCOc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000367077402 330214335 /nfs/dbraw/zinc/21/43/35/330214335.db2.gz IOXCYJVSJDUAMH-OAHLLOKOSA-N 1 2 356.382 2.175 20 5 FEBDLO Cc1cc(C[NH+]2CCC(N(C)C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)on1 ZINC000367150831 330223161 /nfs/dbraw/zinc/22/31/61/330223161.db2.gz JTIIYHPVRLTOSN-UHFFFAOYSA-N 1 2 374.397 2.333 20 5 FEBDLO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161266853 546114771 /nfs/dbraw/zinc/11/47/71/546114771.db2.gz MVLGULTUFPNELH-AWEZNQCLSA-N 1 2 355.398 2.187 20 5 FEBDLO CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[NH+]1CCOCC1 ZINC000179950344 547032355 /nfs/dbraw/zinc/03/23/55/547032355.db2.gz NUWNAWNVINUIQL-UHFFFAOYSA-N 1 2 373.356 2.037 20 5 FEBDLO C[NH+](C)CCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000180239579 547071612 /nfs/dbraw/zinc/07/16/12/547071612.db2.gz IELZWQFJNCJYBL-UHFFFAOYSA-N 1 2 371.440 2.398 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000485136166 561313671 /nfs/dbraw/zinc/31/36/71/561313671.db2.gz UEKYGAHWOYQZBB-UHFFFAOYSA-N 1 2 352.398 2.199 20 5 FEBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000186628521 548162449 /nfs/dbraw/zinc/16/24/49/548162449.db2.gz RPROBMZRQJDZRJ-QPJJXVBHSA-N 1 2 367.409 2.043 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(N3CC[NH+](Cc4cccnc4)CC3)n2)cc1 ZINC000486421311 561346662 /nfs/dbraw/zinc/34/66/62/561346662.db2.gz ARNSJENZYQRGOO-UHFFFAOYSA-N 1 2 366.381 2.362 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1 ZINC000486630058 561352912 /nfs/dbraw/zinc/35/29/12/561352912.db2.gz UBPSSPIEVDBIEJ-HNNXBMFYSA-N 1 2 355.460 2.172 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c1 ZINC000486630058 561352913 /nfs/dbraw/zinc/35/29/13/561352913.db2.gz UBPSSPIEVDBIEJ-HNNXBMFYSA-N 1 2 355.460 2.172 20 5 FEBDLO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000487208952 561366178 /nfs/dbraw/zinc/36/61/78/561366178.db2.gz KJOKWGCIVAOYRM-ZDUSSCGKSA-N 1 2 357.322 2.012 20 5 FEBDLO CC(C)CN1C[C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000488733495 561395554 /nfs/dbraw/zinc/39/55/54/561395554.db2.gz JTRXIMXWZYGLPT-OAHLLOKOSA-N 1 2 362.430 2.051 20 5 FEBDLO CC(C)CN1C[C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000488733495 561395555 /nfs/dbraw/zinc/39/55/55/561395555.db2.gz JTRXIMXWZYGLPT-OAHLLOKOSA-N 1 2 362.430 2.051 20 5 FEBDLO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262308086 549809174 /nfs/dbraw/zinc/80/91/74/549809174.db2.gz CMRPVZCKTGDMOK-GJZGRUSLSA-N 1 2 359.357 2.315 20 5 FEBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)c1 ZINC000264093370 549978325 /nfs/dbraw/zinc/97/83/25/549978325.db2.gz BZSRDJZKHYHWAX-CYBMUJFWSA-N 1 2 358.398 2.451 20 5 FEBDLO C[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000268298591 550046307 /nfs/dbraw/zinc/04/63/07/550046307.db2.gz XIEGXJAMUQGRAG-BXUZGUMPSA-N 1 2 368.390 2.202 20 5 FEBDLO CN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492581849 561451897 /nfs/dbraw/zinc/45/18/97/561451897.db2.gz UOHLZTVIHZMEQV-AWEZNQCLSA-N 1 2 353.338 2.280 20 5 FEBDLO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272528876 550456250 /nfs/dbraw/zinc/45/62/50/550456250.db2.gz MKMGEGGKYGWJAJ-UHFFFAOYSA-N 1 2 356.382 2.090 20 5 FEBDLO CSc1ccc(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000279302013 550875157 /nfs/dbraw/zinc/87/51/57/550875157.db2.gz MMYDRJMYIOOOMP-UHFFFAOYSA-N 1 2 367.471 2.500 20 5 FEBDLO CSc1ccc(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000279302013 550875158 /nfs/dbraw/zinc/87/51/58/550875158.db2.gz MMYDRJMYIOOOMP-UHFFFAOYSA-N 1 2 367.471 2.500 20 5 FEBDLO O=C(C1CC1)N1CCN(c2ccc(Nc3ncc([N+](=O)[O-])s3)c[nH+]2)CC1 ZINC000282188450 551192292 /nfs/dbraw/zinc/19/22/92/551192292.db2.gz PBYMZSZPNRYOCP-UHFFFAOYSA-N 1 2 374.426 2.249 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)O1 ZINC000282348542 551215126 /nfs/dbraw/zinc/21/51/26/551215126.db2.gz CHYYLRJGOIJRKL-UGGSBELWSA-N 1 2 352.362 2.417 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)O1 ZINC000282348542 551215127 /nfs/dbraw/zinc/21/51/27/551215127.db2.gz CHYYLRJGOIJRKL-UGGSBELWSA-N 1 2 352.362 2.417 20 5 FEBDLO O=C(CC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000283307569 551345579 /nfs/dbraw/zinc/34/55/79/551345579.db2.gz NSXFRVKBBCTECF-GOSISDBHSA-N 1 2 368.393 2.097 20 5 FEBDLO O=C(CC[N@H+]1CCNC(=O)[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000283307569 551345581 /nfs/dbraw/zinc/34/55/81/551345581.db2.gz NSXFRVKBBCTECF-GOSISDBHSA-N 1 2 368.393 2.097 20 5 FEBDLO CNS(=O)(=O)c1ccc(N[C@H](c2[nH]cc[nH+]2)C(C)C)c([N+](=O)[O-])c1 ZINC000285725010 551801604 /nfs/dbraw/zinc/80/16/04/551801604.db2.gz SKWIHLBHSUNTBA-ZDUSSCGKSA-N 1 2 353.404 2.035 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000287611240 552025132 /nfs/dbraw/zinc/02/51/32/552025132.db2.gz YTXMOFCUSIUQMG-SWLSCSKDSA-N 1 2 369.368 2.008 20 5 FEBDLO Cc1cc(S(=O)(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)cc([N+](=O)[O-])c1F ZINC000288905558 552233976 /nfs/dbraw/zinc/23/39/76/552233976.db2.gz KAUPRUSTKUHTEQ-ZDUSSCGKSA-N 1 2 356.379 2.441 20 5 FEBDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000500484121 561574662 /nfs/dbraw/zinc/57/46/62/561574662.db2.gz FHPZYVVVHMSOHN-ZDUSSCGKSA-N 1 2 359.386 2.135 20 5 FEBDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000500484121 561574663 /nfs/dbraw/zinc/57/46/63/561574663.db2.gz FHPZYVVVHMSOHN-ZDUSSCGKSA-N 1 2 359.386 2.135 20 5 FEBDLO Cn1cc[nH+]c1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501096401 561589835 /nfs/dbraw/zinc/58/98/35/561589835.db2.gz VJGIGMMODGQJKC-UHFFFAOYSA-N 1 2 354.164 2.413 20 5 FEBDLO CC1CCN(c2ccc(C(=O)NCc3c[nH+]cn3C)cc2[N+](=O)[O-])CC1 ZINC000291525539 552633949 /nfs/dbraw/zinc/63/39/49/552633949.db2.gz VNGNZVKZBZNAKS-UHFFFAOYSA-N 1 2 357.414 2.495 20 5 FEBDLO O=C(C[NH+]1CCC2(CC1)OCCCO2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000292931544 552772131 /nfs/dbraw/zinc/77/21/31/552772131.db2.gz GXXHHJLOBKBOGY-UHFFFAOYSA-N 1 2 369.805 2.416 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCCO[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000293013238 552780566 /nfs/dbraw/zinc/78/05/66/552780566.db2.gz DUCWIEPMVKSCDE-INIZCTEOSA-N 1 2 351.403 2.289 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCCO[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000293013238 552780567 /nfs/dbraw/zinc/78/05/67/552780567.db2.gz DUCWIEPMVKSCDE-INIZCTEOSA-N 1 2 351.403 2.289 20 5 FEBDLO Cc1ncsc1CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293274620 552805876 /nfs/dbraw/zinc/80/58/76/552805876.db2.gz VDMXCSFPFTUMQF-UHFFFAOYSA-N 1 2 360.439 2.360 20 5 FEBDLO C[C@@H](Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294372207 552901116 /nfs/dbraw/zinc/90/11/16/552901116.db2.gz QZAPOGNBTKWJKI-CYBMUJFWSA-N 1 2 369.425 2.282 20 5 FEBDLO C[C@@H](Nc1cccc(C[N@H+]2CCNC(=O)C2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294372207 552901117 /nfs/dbraw/zinc/90/11/17/552901117.db2.gz QZAPOGNBTKWJKI-CYBMUJFWSA-N 1 2 369.425 2.282 20 5 FEBDLO CN(CC[NH+]1CCOCC1)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294469316 552908773 /nfs/dbraw/zinc/90/87/73/552908773.db2.gz HXCRVJCQNUGUPJ-UHFFFAOYSA-N 1 2 361.320 2.018 20 5 FEBDLO Cc1cc(Cl)c(C(=O)NCC(C)(C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000294899797 552942478 /nfs/dbraw/zinc/94/24/78/552942478.db2.gz RYTPWFFLRFZGDK-UHFFFAOYSA-N 1 2 355.822 2.397 20 5 FEBDLO COCC[NH+]1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000294989145 552949542 /nfs/dbraw/zinc/94/95/42/552949542.db2.gz TZXLXKDDASMYLG-UHFFFAOYSA-N 1 2 361.320 2.018 20 5 FEBDLO Cc1nc(N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000295628123 553035884 /nfs/dbraw/zinc/03/58/84/553035884.db2.gz BOCWZHNMUDKLNV-CQSZACIVSA-N 1 2 370.413 2.346 20 5 FEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H](O)c2ccccc2Cl)CC1 ZINC000298187101 553395925 /nfs/dbraw/zinc/39/59/25/553395925.db2.gz WKWCPFLSQMVMSF-INIZCTEOSA-N 1 2 362.817 2.499 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298210058 553398621 /nfs/dbraw/zinc/39/86/21/553398621.db2.gz YZPJBUQJPAAUNM-UHFFFAOYSA-N 1 2 373.369 2.229 20 5 FEBDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000301099780 553621991 /nfs/dbraw/zinc/62/19/91/553621991.db2.gz SOIDSRXXTRXKPP-JKSUJKDBSA-N 1 2 360.458 2.412 20 5 FEBDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301197451 553630208 /nfs/dbraw/zinc/63/02/08/553630208.db2.gz OASUJVISIXFLJM-ZDUSSCGKSA-N 1 2 364.421 2.303 20 5 FEBDLO CC(C)(CNc1ncc(Br)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000301667912 553670210 /nfs/dbraw/zinc/67/02/10/553670210.db2.gz CWQLWUKMEKMSNM-UHFFFAOYSA-N 1 2 359.224 2.275 20 5 FEBDLO Cn1cc[nH+]c1CN1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000302066216 553701505 /nfs/dbraw/zinc/70/15/05/553701505.db2.gz WEOZFSMBRYMNJT-UHFFFAOYSA-N 1 2 367.356 2.252 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330794179 554172064 /nfs/dbraw/zinc/17/20/64/554172064.db2.gz CXQNXHTVPMVOSP-YGRLFVJLSA-N 1 2 361.320 2.311 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330794179 554172061 /nfs/dbraw/zinc/17/20/61/554172061.db2.gz CXQNXHTVPMVOSP-YGRLFVJLSA-N 1 2 361.320 2.311 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000331171545 554225393 /nfs/dbraw/zinc/22/53/93/554225393.db2.gz OEHJOJSOZBAZCY-PEKRHGBISA-N 1 2 353.444 2.073 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000331171545 554225395 /nfs/dbraw/zinc/22/53/95/554225395.db2.gz OEHJOJSOZBAZCY-PEKRHGBISA-N 1 2 353.444 2.073 20 5 FEBDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000331589813 554290089 /nfs/dbraw/zinc/29/00/89/554290089.db2.gz PQVTUOAXJLDWAJ-FDQGKXFDSA-N 1 2 363.414 2.192 20 5 FEBDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000331589813 554290092 /nfs/dbraw/zinc/29/00/92/554290092.db2.gz PQVTUOAXJLDWAJ-FDQGKXFDSA-N 1 2 363.414 2.192 20 5 FEBDLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509121805 561785627 /nfs/dbraw/zinc/78/56/27/561785627.db2.gz BBYZMBGTOHMUBX-ZYHUDNBSSA-N 1 2 358.341 2.416 20 5 FEBDLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509121805 561785628 /nfs/dbraw/zinc/78/56/28/561785628.db2.gz BBYZMBGTOHMUBX-ZYHUDNBSSA-N 1 2 358.341 2.416 20 5 FEBDLO CCOc1cc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000331856821 554331964 /nfs/dbraw/zinc/33/19/64/554331964.db2.gz AUUXCVAOGFRPID-OIISXLGYSA-N 1 2 350.415 2.355 20 5 FEBDLO CCOc1cc(C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000331856821 554331967 /nfs/dbraw/zinc/33/19/67/554331967.db2.gz AUUXCVAOGFRPID-OIISXLGYSA-N 1 2 350.415 2.355 20 5 FEBDLO Cc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)[NH+]2CCOCC2)c1 ZINC000509505759 561802785 /nfs/dbraw/zinc/80/27/85/561802785.db2.gz OXQADRYPUBSQNE-KRWDZBQOSA-N 1 2 372.425 2.045 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000510382071 561832983 /nfs/dbraw/zinc/83/29/83/561832983.db2.gz SGYCUXNPZIQUBM-CQSZACIVSA-N 1 2 350.400 2.066 20 5 FEBDLO CN(C)c1[nH+]cccc1CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000510851645 561848434 /nfs/dbraw/zinc/84/84/34/561848434.db2.gz SPUBDBKWZKPLDN-UHFFFAOYSA-N 1 2 357.414 2.440 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CCc1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000350255444 554773451 /nfs/dbraw/zinc/77/34/51/554773451.db2.gz WJZVUIYAVFCNEZ-UHFFFAOYSA-N 1 2 353.342 2.279 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])C2 ZINC000363444114 555106808 /nfs/dbraw/zinc/10/68/08/555106808.db2.gz MOCRRUKMEVLHRT-AWEZNQCLSA-N 1 2 358.398 2.308 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC000363457584 555110710 /nfs/dbraw/zinc/11/07/10/555110710.db2.gz UTJMCXWKBCTKTD-ZDUSSCGKSA-N 1 2 374.441 2.303 20 5 FEBDLO Cc1cc(N2CCC(N(C)C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000363494039 555120010 /nfs/dbraw/zinc/12/00/10/555120010.db2.gz XYEWWELBFKEWBL-CABCVRRESA-N 1 2 361.446 2.001 20 5 FEBDLO CN(C(=O)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000363675751 555161666 /nfs/dbraw/zinc/16/16/66/555161666.db2.gz BVKKWPHJBIOKEQ-QGZVFWFLSA-N 1 2 374.441 2.035 20 5 FEBDLO CN(C(=O)C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000363675751 555161667 /nfs/dbraw/zinc/16/16/67/555161667.db2.gz BVKKWPHJBIOKEQ-QGZVFWFLSA-N 1 2 374.441 2.035 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCOCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000363915122 555213260 /nfs/dbraw/zinc/21/32/60/555213260.db2.gz XQOWJABTILVTPJ-UHFFFAOYSA-N 1 2 363.414 2.435 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CCOCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000363915122 555213261 /nfs/dbraw/zinc/21/32/61/555213261.db2.gz XQOWJABTILVTPJ-UHFFFAOYSA-N 1 2 363.414 2.435 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512844233 561917812 /nfs/dbraw/zinc/91/78/12/561917812.db2.gz MHDBNXYIEQUOKP-NSHDSACASA-N 1 2 373.356 2.493 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512844233 561917813 /nfs/dbraw/zinc/91/78/13/561917813.db2.gz MHDBNXYIEQUOKP-NSHDSACASA-N 1 2 373.356 2.493 20 5 FEBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc([N+](=O)[O-])c1Br ZINC000365250123 555522634 /nfs/dbraw/zinc/52/26/34/555522634.db2.gz YSDPPZCNYGZIPU-MRVPVSSYSA-N 1 2 365.187 2.368 20 5 FEBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc([N+](=O)[O-])c1Br ZINC000365250123 555522636 /nfs/dbraw/zinc/52/26/36/555522636.db2.gz YSDPPZCNYGZIPU-MRVPVSSYSA-N 1 2 365.187 2.368 20 5 FEBDLO Cc1nn(C)c(C(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000366914842 555968606 /nfs/dbraw/zinc/96/86/06/555968606.db2.gz YDFKLMBUSLEBDA-ZDUSSCGKSA-N 1 2 363.805 2.077 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000366976370 555986434 /nfs/dbraw/zinc/98/64/34/555986434.db2.gz HCYGQXJFUZMTRD-GFCCVEGCSA-N 1 2 353.382 2.368 20 5 FEBDLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368411704 556300259 /nfs/dbraw/zinc/30/02/59/556300259.db2.gz JGOLTWIBDVLOMX-MRXNPFEDSA-N 1 2 366.381 2.454 20 5 FEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000368966014 556461505 /nfs/dbraw/zinc/46/15/05/556461505.db2.gz MYPCKIZHRNQTII-LQJRIPTKSA-N 1 2 355.341 2.282 20 5 FEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000368966014 556461506 /nfs/dbraw/zinc/46/15/06/556461506.db2.gz MYPCKIZHRNQTII-LQJRIPTKSA-N 1 2 355.341 2.282 20 5 FEBDLO Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369003135 556473633 /nfs/dbraw/zinc/47/36/33/556473633.db2.gz UJLCYYIFKYGUCB-INIZCTEOSA-N 1 2 357.414 2.053 20 5 FEBDLO Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369003135 556473636 /nfs/dbraw/zinc/47/36/36/556473636.db2.gz UJLCYYIFKYGUCB-INIZCTEOSA-N 1 2 357.414 2.053 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000369049879 556488818 /nfs/dbraw/zinc/48/88/18/556488818.db2.gz ZQKXANDWARVPSC-AWEZNQCLSA-N 1 2 355.398 2.253 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000369049879 556488821 /nfs/dbraw/zinc/48/88/21/556488821.db2.gz ZQKXANDWARVPSC-AWEZNQCLSA-N 1 2 355.398 2.253 20 5 FEBDLO O=C(N[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1)C1CCC1 ZINC000369067394 556495468 /nfs/dbraw/zinc/49/54/68/556495468.db2.gz UIKSVJFCKUSYEK-CQSZACIVSA-N 1 2 371.397 2.135 20 5 FEBDLO O=C(N[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1)C1CCC1 ZINC000369067394 556495475 /nfs/dbraw/zinc/49/54/75/556495475.db2.gz UIKSVJFCKUSYEK-CQSZACIVSA-N 1 2 371.397 2.135 20 5 FEBDLO Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000369248430 556549051 /nfs/dbraw/zinc/54/90/51/556549051.db2.gz FBATXPVIJBTOHL-HNNXBMFYSA-N 1 2 372.429 2.296 20 5 FEBDLO Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000369248430 556549052 /nfs/dbraw/zinc/54/90/52/556549052.db2.gz FBATXPVIJBTOHL-HNNXBMFYSA-N 1 2 372.429 2.296 20 5 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RHEBWXAJCYWIHW-JTQLQIEISA-N 1 2 361.320 2.064 20 5 FEBDLO COc1cc(C(=O)NCCc2cn3ccccc3[nH+]2)cc([N+](=O)[O-])c1OC ZINC000525528768 562250029 /nfs/dbraw/zinc/25/00/29/562250029.db2.gz DDCJNVBHOZFDRC-UHFFFAOYSA-N 1 2 370.365 2.232 20 5 FEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411697407 558946494 /nfs/dbraw/zinc/94/64/94/558946494.db2.gz RLKYAGHNJMTNJI-CYBMUJFWSA-N 1 2 353.444 2.156 20 5 FEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411697407 558946495 /nfs/dbraw/zinc/94/64/95/558946495.db2.gz RLKYAGHNJMTNJI-CYBMUJFWSA-N 1 2 353.444 2.156 20 5 FEBDLO CC(C)Oc1cc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000412042922 559005961 /nfs/dbraw/zinc/00/59/61/559005961.db2.gz UWSZKIRDLRWOFH-ZIAGYGMSSA-N 1 2 365.430 2.221 20 5 FEBDLO Cn1cc(C[NH+]2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)cn1 ZINC000413136356 559081653 /nfs/dbraw/zinc/08/16/53/559081653.db2.gz XWVPIAFDCZOORJ-UHFFFAOYSA-N 1 2 352.398 2.199 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)NC(C)(C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000413359459 559101866 /nfs/dbraw/zinc/10/18/66/559101866.db2.gz MDOZAMANXOHSIH-AWEZNQCLSA-N 1 2 364.446 2.374 20 5 FEBDLO CCS(=O)(=O)CCCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000413576953 559117722 /nfs/dbraw/zinc/11/77/22/559117722.db2.gz RAKMAPTVIQXTIG-UHFFFAOYSA-N 1 2 364.427 2.019 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000415988304 559287218 /nfs/dbraw/zinc/28/72/18/559287218.db2.gz IAOJDPSPEVFKCD-UHFFFAOYSA-N 1 2 355.822 2.397 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c(C)cc1[N+](=O)[O-] ZINC000416437373 559312802 /nfs/dbraw/zinc/31/28/02/559312802.db2.gz HBBUPOILLPOMRH-CYBMUJFWSA-N 1 2 364.427 2.123 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000417047598 559345853 /nfs/dbraw/zinc/34/58/53/559345853.db2.gz VOAHHRLZZZCOCK-UHFFFAOYSA-N 1 2 350.419 2.444 20 5 FEBDLO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000420582432 559492891 /nfs/dbraw/zinc/49/28/91/559492891.db2.gz JDIVNNWNPSVTAE-HNNXBMFYSA-N 1 2 370.409 2.007 20 5 FEBDLO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000420582432 559492892 /nfs/dbraw/zinc/49/28/92/559492892.db2.gz JDIVNNWNPSVTAE-HNNXBMFYSA-N 1 2 370.409 2.007 20 5 FEBDLO CCc1cc(NC2CCN(OC)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420640346 559494653 /nfs/dbraw/zinc/49/46/53/559494653.db2.gz MLFMTNDTTIBHGO-UHFFFAOYSA-N 1 2 357.414 2.474 20 5 FEBDLO [NH3+][C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1cscn1 ZINC000423226492 559623147 /nfs/dbraw/zinc/62/31/47/559623147.db2.gz QWQGUANAYFPGQF-OAHLLOKOSA-N 1 2 362.411 2.121 20 5 FEBDLO CCc1cc(NC[C@@H]2CCN(C)C(=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000425270106 559694400 /nfs/dbraw/zinc/69/44/00/559694400.db2.gz VEYANOIDVLHUPL-CYBMUJFWSA-N 1 2 369.425 2.316 20 5 FEBDLO CCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000430203252 559815330 /nfs/dbraw/zinc/81/53/30/559815330.db2.gz NZYBNAMSJOFJII-OAHLLOKOSA-N 1 2 356.444 2.393 20 5 FEBDLO CCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000430203252 559815331 /nfs/dbraw/zinc/81/53/31/559815331.db2.gz NZYBNAMSJOFJII-OAHLLOKOSA-N 1 2 356.444 2.393 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1 ZINC000432865521 559866594 /nfs/dbraw/zinc/86/65/94/559866594.db2.gz LFQSNNARZJPTAM-UHFFFAOYSA-N 1 2 372.381 2.396 20 5 FEBDLO COC[C@H](Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCO1 ZINC000432942973 559868420 /nfs/dbraw/zinc/86/84/20/559868420.db2.gz DXAASVKXNAFPJN-JKSUJKDBSA-N 1 2 358.398 2.388 20 5 FEBDLO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436647452 559947554 /nfs/dbraw/zinc/94/75/54/559947554.db2.gz KVQHNPNZEQDREJ-OAHLLOKOSA-N 1 2 357.366 2.119 20 5 FEBDLO O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436647452 559947555 /nfs/dbraw/zinc/94/75/55/559947555.db2.gz KVQHNPNZEQDREJ-OAHLLOKOSA-N 1 2 357.366 2.119 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCc2ncsc2C1 ZINC000438671219 559981988 /nfs/dbraw/zinc/98/19/88/559981988.db2.gz FWLSQJDTWHKKHK-UHFFFAOYSA-N 1 2 355.379 2.436 20 5 FEBDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000442819649 560058424 /nfs/dbraw/zinc/05/84/24/560058424.db2.gz QKVZSWVMXLNDJZ-MRXNPFEDSA-N 1 2 369.443 2.192 20 5 FEBDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000442838005 560059120 /nfs/dbraw/zinc/05/91/20/560059120.db2.gz OONHVJGIUQZGHI-SFHVURJKSA-N 1 2 363.414 2.131 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc(C(F)(F)F)n[nH]3)C2)nc1 ZINC000442879300 560060514 /nfs/dbraw/zinc/06/05/14/560060514.db2.gz ITKMHPBISFPVFC-VIFPVBQESA-N 1 2 356.308 2.418 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc(C(F)(F)F)n[nH]3)C2)nc1 ZINC000442879300 560060516 /nfs/dbraw/zinc/06/05/16/560060516.db2.gz ITKMHPBISFPVFC-VIFPVBQESA-N 1 2 356.308 2.418 20 5 FEBDLO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nnnn1-c1ccccc1 ZINC000444690008 560118207 /nfs/dbraw/zinc/11/82/07/560118207.db2.gz QMISMRDQXIOGJP-NSHDSACASA-N 1 2 364.369 2.298 20 5 FEBDLO CCOc1cc(NCC(C)(C)[NH+]2CCS(=O)CC2)ccc1[N+](=O)[O-] ZINC000446858142 560152843 /nfs/dbraw/zinc/15/28/43/560152843.db2.gz YWYYTNRQYZIFMT-UHFFFAOYSA-N 1 2 355.460 2.248 20 5 FEBDLO CC(C)C(=O)NCCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447814043 560169887 /nfs/dbraw/zinc/16/98/87/560169887.db2.gz WDUIVMDPDUELAG-UHFFFAOYSA-N 1 2 364.446 2.001 20 5 FEBDLO CCOC(=O)C[C@H](C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447816846 560169961 /nfs/dbraw/zinc/16/99/61/560169961.db2.gz MWZDRHPAIQHTRM-AWEZNQCLSA-N 1 2 365.430 2.428 20 5 FEBDLO Cn1ncc2c1CCC[C@H]2NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448677175 560193769 /nfs/dbraw/zinc/19/37/69/560193769.db2.gz XABJUFRMHZDJSU-CQSZACIVSA-N 1 2 366.381 2.321 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000449744329 560238769 /nfs/dbraw/zinc/23/87/69/560238769.db2.gz GIANBRABDLECOQ-AWEZNQCLSA-N 1 2 350.419 2.229 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000449744329 560238770 /nfs/dbraw/zinc/23/87/70/560238770.db2.gz GIANBRABDLECOQ-AWEZNQCLSA-N 1 2 350.419 2.229 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000450196545 560253693 /nfs/dbraw/zinc/25/36/93/560253693.db2.gz NFWSOUUCRNKMPH-GJZGRUSLSA-N 1 2 356.382 2.279 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000450241601 560255448 /nfs/dbraw/zinc/25/54/48/560255448.db2.gz HCZSBUQAIZWNQA-AWEZNQCLSA-N 1 2 356.382 2.307 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000450367179 560259988 /nfs/dbraw/zinc/25/99/88/560259988.db2.gz BCGVYQBSSLFRMQ-ZDUSSCGKSA-N 1 2 366.381 2.348 20 5 FEBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H](C2CC2)O1 ZINC000451324942 560300355 /nfs/dbraw/zinc/30/03/55/560300355.db2.gz MHTOWFYPNSIBGE-SJKOYZFVSA-N 1 2 356.382 2.420 20 5 FEBDLO Cn1cc2c(n1)CCC[C@H]2NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451516702 560311550 /nfs/dbraw/zinc/31/15/50/560311550.db2.gz GZLKYTFHLLTEFR-CQSZACIVSA-N 1 2 366.381 2.321 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000456311577 560514946 /nfs/dbraw/zinc/51/49/46/560514946.db2.gz SAJCZFJJUYNZLC-FVQBIDKESA-N 1 2 370.409 2.404 20 5 FEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000456358572 560517257 /nfs/dbraw/zinc/51/72/57/560517257.db2.gz QKKROZHMCHHHBM-NSHDSACASA-N 1 2 360.370 2.002 20 5 FEBDLO Cc1cc(OCC(=O)Nc2nc(C[NH+](C)C)cs2)ccc1[N+](=O)[O-] ZINC000457309297 560561793 /nfs/dbraw/zinc/56/17/93/560561793.db2.gz HWLKICDXEYEOOE-UHFFFAOYSA-N 1 2 350.400 2.439 20 5 FEBDLO CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459503203 560690509 /nfs/dbraw/zinc/69/05/09/560690509.db2.gz GJJPGHSPLLYOII-HNNXBMFYSA-N 1 2 363.462 2.005 20 5 FEBDLO CC/C=C/CC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000466830880 560896937 /nfs/dbraw/zinc/89/69/37/560896937.db2.gz IVOHMMLPCULOGQ-ONEGZZNKSA-N 1 2 353.444 2.257 20 5 FEBDLO C[C@@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])Cn1cccn1 ZINC000472352501 561024921 /nfs/dbraw/zinc/02/49/21/561024921.db2.gz ZLVMDEXRIZTCEZ-HNNXBMFYSA-N 1 2 359.430 2.372 20 5 FEBDLO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000475569167 561100189 /nfs/dbraw/zinc/10/01/89/561100189.db2.gz GHEKNCLXGWWVRC-GFCCVEGCSA-N 1 2 352.387 2.146 20 5 FEBDLO COC(=O)COc1ccc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000475569167 561100190 /nfs/dbraw/zinc/10/01/90/561100190.db2.gz GHEKNCLXGWWVRC-GFCCVEGCSA-N 1 2 352.387 2.146 20 5 FEBDLO C[C@@H]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000531584685 562450819 /nfs/dbraw/zinc/45/08/19/562450819.db2.gz LBEQILBZBMDQGR-PBHICJAKSA-N 1 2 373.413 2.463 20 5 FEBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000532397771 562476532 /nfs/dbraw/zinc/47/65/32/562476532.db2.gz OYIICDTZMBQIPJ-UHFFFAOYSA-N 1 2 351.366 2.207 20 5 FEBDLO Cc1cc[nH+]cc1N1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000545962185 562631702 /nfs/dbraw/zinc/63/17/02/562631702.db2.gz IBVDWXFMOMIAIV-UHFFFAOYSA-N 1 2 355.398 2.330 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000545984260 562632308 /nfs/dbraw/zinc/63/23/08/562632308.db2.gz IDIKRLIOOSZSQD-UHFFFAOYSA-N 1 2 363.414 2.113 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000545984260 562632309 /nfs/dbraw/zinc/63/23/09/562632309.db2.gz IDIKRLIOOSZSQD-UHFFFAOYSA-N 1 2 363.414 2.113 20 5 FEBDLO O=[N+]([O-])c1cc(N2CC[C@@H](CNc3cccc[nH+]3)C2)ccc1-c1nn[nH]n1 ZINC000826498496 607841395 /nfs/dbraw/zinc/84/13/95/607841395.db2.gz XHGCKCWFECBYRB-LBPRGKRZSA-N 1 2 366.385 2.108 20 5 FEBDLO CCc1ccc(S(=O)(=O)N(C)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000563062079 674841358 /nfs/dbraw/zinc/84/13/58/674841358.db2.gz WASCDTMKPQMCIB-UHFFFAOYSA-N 1 2 352.416 2.065 20 5 FEBDLO C[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000815030256 674902870 /nfs/dbraw/zinc/90/28/70/674902870.db2.gz YWSRLLONKLXWCC-UHFFFAOYSA-N 1 2 365.814 2.102 20 5 FEBDLO C[N@H+]1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000815030256 674902872 /nfs/dbraw/zinc/90/28/72/674902872.db2.gz YWSRLLONKLXWCC-UHFFFAOYSA-N 1 2 365.814 2.102 20 5 FEBDLO CCCS(=O)(=O)NC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000047496880 670243866 /nfs/dbraw/zinc/24/38/66/670243866.db2.gz LNWVHIVKMCQDPR-UHFFFAOYSA-N 1 2 359.423 2.028 20 5 FEBDLO CC(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000067419659 670457723 /nfs/dbraw/zinc/45/77/23/670457723.db2.gz QCGRINHMAFFQRY-GFCCVEGCSA-N 1 2 368.821 2.035 20 5 FEBDLO CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000067419659 670457727 /nfs/dbraw/zinc/45/77/27/670457727.db2.gz QCGRINHMAFFQRY-GFCCVEGCSA-N 1 2 368.821 2.035 20 5 FEBDLO Cc1n[nH]c(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000576553071 671376438 /nfs/dbraw/zinc/37/64/38/671376438.db2.gz MGLGTABPHBLMJH-UHFFFAOYSA-N 1 2 360.761 2.395 20 5 FEBDLO C[C@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H]1O ZINC000589258074 672517447 /nfs/dbraw/zinc/51/74/47/672517447.db2.gz WCYIUJSVBPLYRJ-UFBFGSQYSA-N 1 2 362.167 2.012 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H]1O ZINC000589258074 672517451 /nfs/dbraw/zinc/51/74/51/672517451.db2.gz WCYIUJSVBPLYRJ-UFBFGSQYSA-N 1 2 362.167 2.012 20 5 FEBDLO CCc1ccc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000592037193 672739156 /nfs/dbraw/zinc/73/91/56/672739156.db2.gz HMZNGNVYFXBJKZ-UHFFFAOYSA-N 1 2 364.427 2.449 20 5 FEBDLO CO[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000733237763 673404793 /nfs/dbraw/zinc/40/47/93/673404793.db2.gz RGHHQMOQZZJTSR-LBPRGKRZSA-N 1 2 358.276 2.088 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000543684391 673661565 /nfs/dbraw/zinc/66/15/65/673661565.db2.gz MGEWPYNQXRMWEW-UHFFFAOYSA-N 1 2 364.427 2.434 20 5 FEBDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000741148027 673673002 /nfs/dbraw/zinc/67/30/02/673673002.db2.gz NTVYAZFKHYWZGH-CQSZACIVSA-N 1 2 353.350 2.090 20 5 FEBDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000741148027 673673006 /nfs/dbraw/zinc/67/30/06/673673006.db2.gz NTVYAZFKHYWZGH-CQSZACIVSA-N 1 2 353.350 2.090 20 5 FEBDLO O=[N+]([O-])c1ccc(NC(=S)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000743006787 673744766 /nfs/dbraw/zinc/74/47/66/673744766.db2.gz JLJRLVTWIDINMY-HNNXBMFYSA-N 1 2 350.444 2.088 20 5 FEBDLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000614924924 676196816 /nfs/dbraw/zinc/19/68/16/676196816.db2.gz PERAOXNVDKXHBG-CQSZACIVSA-N 1 2 361.320 2.237 20 5 FEBDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000614924924 676196819 /nfs/dbraw/zinc/19/68/19/676196819.db2.gz PERAOXNVDKXHBG-CQSZACIVSA-N 1 2 361.320 2.237 20 5 FEBDLO Cn1cc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)c([N+](=O)[O-])n1 ZINC000602835379 673911934 /nfs/dbraw/zinc/91/19/34/673911934.db2.gz BARLZWPKYDACTF-GFCCVEGCSA-N 1 2 373.182 2.053 20 5 FEBDLO O=C(CC[N@@H+]1CCc2cc(Cl)nnc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000829156691 675867793 /nfs/dbraw/zinc/86/77/93/675867793.db2.gz VTTZQCVITPVABO-UHFFFAOYSA-N 1 2 361.789 2.425 20 5 FEBDLO O=C(CC[N@H+]1CCc2cc(Cl)nnc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000829156691 675867797 /nfs/dbraw/zinc/86/77/97/675867797.db2.gz VTTZQCVITPVABO-UHFFFAOYSA-N 1 2 361.789 2.425 20 5 FEBDLO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1cccc([N+](=O)[O-])c1Br ZINC000839589465 680764193 /nfs/dbraw/zinc/76/41/93/680764193.db2.gz MBWLVRONOVMPIH-CMPLNLGQSA-N 1 2 359.220 2.329 20 5 FEBDLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1cccc([N+](=O)[O-])c1Br ZINC000839589465 680764194 /nfs/dbraw/zinc/76/41/94/680764194.db2.gz MBWLVRONOVMPIH-CMPLNLGQSA-N 1 2 359.220 2.329 20 5 FEBDLO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000840254083 680810302 /nfs/dbraw/zinc/81/03/02/680810302.db2.gz RXEILGMXNKLLMJ-IUODEOHRSA-N 1 2 352.822 2.086 20 5 FEBDLO O=C(NC1CC[NH+](Cc2cccc(F)c2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002789255 680508351 /nfs/dbraw/zinc/50/83/51/680508351.db2.gz UELRDAMSQVSMSO-TZMCWYRMSA-N 1 2 355.797 2.225 20 5 FEBDLO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)OCCc1c[nH+]cn1C ZINC000838059719 680671224 /nfs/dbraw/zinc/67/12/24/680671224.db2.gz ZASGUYAEHUKXGI-UHFFFAOYSA-N 1 2 366.761 2.340 20 5 FEBDLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000842963218 680977879 /nfs/dbraw/zinc/97/78/79/680977879.db2.gz CGPUBMDLRSGOCI-ABAIWWIYSA-N 1 2 372.805 2.141 20 5 FEBDLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000842963218 680977882 /nfs/dbraw/zinc/97/78/82/680977882.db2.gz CGPUBMDLRSGOCI-ABAIWWIYSA-N 1 2 372.805 2.141 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000770717849 681025604 /nfs/dbraw/zinc/02/56/04/681025604.db2.gz ZXHRRRHRPQFZOW-MNOVXSKESA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000770717849 681025606 /nfs/dbraw/zinc/02/56/06/681025606.db2.gz ZXHRRRHRPQFZOW-MNOVXSKESA-N 1 2 361.851 2.270 20 5 FEBDLO CC(C)[C@@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000844148873 681041858 /nfs/dbraw/zinc/04/18/58/681041858.db2.gz HSXMSUQTTJLDHE-OAHLLOKOSA-N 1 2 355.822 2.335 20 5 FEBDLO COC1(CO)CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000775204093 681284841 /nfs/dbraw/zinc/28/48/41/681284841.db2.gz NACXPGPZDIYTGH-UHFFFAOYSA-N 1 2 359.220 2.331 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1C ZINC000787328768 682450711 /nfs/dbraw/zinc/45/07/11/682450711.db2.gz UHVLEOCCACCWRO-GXSJLCMTSA-N 1 2 355.778 2.070 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1C ZINC000787328768 682450713 /nfs/dbraw/zinc/45/07/13/682450713.db2.gz UHVLEOCCACCWRO-GXSJLCMTSA-N 1 2 355.778 2.070 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1C ZINC000787328696 682450862 /nfs/dbraw/zinc/45/08/62/682450862.db2.gz SYKHAFCJSWFZBP-CKYFFXLPSA-N 1 2 369.805 2.459 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1C ZINC000787328696 682450865 /nfs/dbraw/zinc/45/08/65/682450865.db2.gz SYKHAFCJSWFZBP-CKYFFXLPSA-N 1 2 369.805 2.459 20 5 FEBDLO Cc1cc(Cl)c(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000855405890 682666200 /nfs/dbraw/zinc/66/62/00/682666200.db2.gz AKKKIEDUCTUCGO-NEPJUHHUSA-N 1 2 355.822 2.396 20 5 FEBDLO Cc1cc(Cl)c(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000855405890 682666204 /nfs/dbraw/zinc/66/62/04/682666204.db2.gz AKKKIEDUCTUCGO-NEPJUHHUSA-N 1 2 355.822 2.396 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000793712691 682905768 /nfs/dbraw/zinc/90/57/68/682905768.db2.gz XZHYVPQFWCPCFI-JSGCOSHPSA-N 1 2 351.407 2.080 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000793712691 682905772 /nfs/dbraw/zinc/90/57/72/682905772.db2.gz XZHYVPQFWCPCFI-JSGCOSHPSA-N 1 2 351.407 2.080 20 5 FEBDLO C[NH+](C)Cc1csc(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])n1 ZINC000927764037 683306829 /nfs/dbraw/zinc/30/68/29/683306829.db2.gz PNCDSGPRQOULPW-UHFFFAOYSA-N 1 2 352.391 2.111 20 5 FEBDLO CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000879334099 686797446 /nfs/dbraw/zinc/79/74/46/686797446.db2.gz GXYKVZPSJHLMBV-LBPRGKRZSA-N 1 2 354.382 2.026 20 5 FEBDLO CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000879334099 686797450 /nfs/dbraw/zinc/79/74/50/686797450.db2.gz GXYKVZPSJHLMBV-LBPRGKRZSA-N 1 2 354.382 2.026 20 5 FEBDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000015572763 539620522 /nfs/dbraw/zinc/62/05/22/539620522.db2.gz DVXVWFLZRCKJPC-IRXDYDNUSA-N 1 2 374.485 2.217 20 5 FEBDLO C[C@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000015572763 539620526 /nfs/dbraw/zinc/62/05/26/539620526.db2.gz DVXVWFLZRCKJPC-IRXDYDNUSA-N 1 2 374.485 2.217 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2ccccc2O)CC1 ZINC000016481174 539632467 /nfs/dbraw/zinc/63/24/67/539632467.db2.gz SJPOIIJCPBEMJO-CQSZACIVSA-N 1 2 370.409 2.450 20 5 FEBDLO Cc1ccc(C)c(NC(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000026481823 539787403 /nfs/dbraw/zinc/78/74/03/539787403.db2.gz JGRWTIWPPUDJPS-UHFFFAOYSA-N 1 2 369.425 2.367 20 5 FEBDLO O=C(NCCc1cn2ccccc2[nH+]1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000032297623 539934217 /nfs/dbraw/zinc/93/42/17/539934217.db2.gz RVQDBRJKQHZROK-UHFFFAOYSA-N 1 2 350.338 2.091 20 5 FEBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000046407460 540255997 /nfs/dbraw/zinc/25/59/97/540255997.db2.gz URLUTWAKHYFPOZ-UHFFFAOYSA-N 1 2 372.406 2.318 20 5 FEBDLO C[C@H]1CN(c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3)c[nH+]2)CCO1 ZINC000046716947 540267915 /nfs/dbraw/zinc/26/79/15/540267915.db2.gz ZLOPYZHBWWZDKX-ZDUSSCGKSA-N 1 2 356.382 2.145 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1cnc(C)s1 ZINC000047259163 540299381 /nfs/dbraw/zinc/29/93/81/540299381.db2.gz NJFQBLJYZBEBPX-UHFFFAOYSA-N 1 2 350.400 2.439 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1cnc(C)s1 ZINC000047259163 540299383 /nfs/dbraw/zinc/29/93/83/540299383.db2.gz NJFQBLJYZBEBPX-UHFFFAOYSA-N 1 2 350.400 2.439 20 5 FEBDLO CC1CCC(NC(=O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000047743774 540327046 /nfs/dbraw/zinc/32/70/46/540327046.db2.gz MTFBJBSZGGHXLY-UHFFFAOYSA-N 1 2 360.458 2.412 20 5 FEBDLO O=C(C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)Nc1ccc(F)cc1 ZINC000047938150 540335789 /nfs/dbraw/zinc/33/57/89/540335789.db2.gz IAQLUKSPFQMSIH-UHFFFAOYSA-N 1 2 358.373 2.495 20 5 FEBDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000049980537 540396225 /nfs/dbraw/zinc/39/62/25/540396225.db2.gz YLMJFBXHLGIQFO-CQSZACIVSA-N 1 2 364.421 2.257 20 5 FEBDLO CCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000122649773 209359146 /nfs/dbraw/zinc/35/91/46/209359146.db2.gz JUCBXZTUIBQVED-GXTWGEPZSA-N 1 2 351.403 2.431 20 5 FEBDLO CCO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000122649773 209359149 /nfs/dbraw/zinc/35/91/49/209359149.db2.gz JUCBXZTUIBQVED-GXTWGEPZSA-N 1 2 351.403 2.431 20 5 FEBDLO CNC(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3)nc2)c([N+](=O)[O-])c1 ZINC000064905520 541220586 /nfs/dbraw/zinc/22/05/86/541220586.db2.gz LWLKDFMSOLEICX-UHFFFAOYSA-N 1 2 352.354 2.147 20 5 FEBDLO CCc1cc(NCC[NH+]2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064904503 541220793 /nfs/dbraw/zinc/22/07/93/541220793.db2.gz JJQDQRFCFQMHKJ-UHFFFAOYSA-N 1 2 357.414 2.358 20 5 FEBDLO COc1ccc(CC(=O)NCc2cn3ccc(C)cc3[nH+]2)cc1[N+](=O)[O-] ZINC000067910045 541527678 /nfs/dbraw/zinc/52/76/78/541527678.db2.gz UHSRIJXGAJVMMU-UHFFFAOYSA-N 1 2 354.366 2.418 20 5 FEBDLO COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)[NH+](C)C ZINC000069179587 541666597 /nfs/dbraw/zinc/66/65/97/541666597.db2.gz LMQZAHQXNDWGAK-HNNXBMFYSA-N 1 2 359.382 2.342 20 5 FEBDLO CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000072724818 541858846 /nfs/dbraw/zinc/85/88/46/541858846.db2.gz UDEJAQGMEYLOFD-GFCCVEGCSA-N 1 2 351.403 2.167 20 5 FEBDLO Cc1cc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)ncc1[N+](=O)[O-] ZINC000074727457 542115202 /nfs/dbraw/zinc/11/52/02/542115202.db2.gz DGLIMCKDFSFDPG-UHFFFAOYSA-N 1 2 352.398 2.268 20 5 FEBDLO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075554013 542186908 /nfs/dbraw/zinc/18/69/08/542186908.db2.gz YEKNPSDTIVKRPM-NSHDSACASA-N 1 2 358.354 2.109 20 5 FEBDLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)nn1 ZINC000359971551 206778094 /nfs/dbraw/zinc/77/80/94/206778094.db2.gz CFRNWNDKHJTRDR-GFCCVEGCSA-N 1 2 365.777 2.073 20 5 FEBDLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)nn1 ZINC000359971551 206778097 /nfs/dbraw/zinc/77/80/97/206778097.db2.gz CFRNWNDKHJTRDR-GFCCVEGCSA-N 1 2 365.777 2.073 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[S@@](=O)[C@H](C)[C@@H]1C ZINC000076823421 542323607 /nfs/dbraw/zinc/32/36/07/542323607.db2.gz KJJUSVLADZMPIJ-TXNHMLTKSA-N 1 2 353.444 2.073 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[S@@](=O)[C@H](C)[C@@H]1C ZINC000076823421 542323609 /nfs/dbraw/zinc/32/36/09/542323609.db2.gz KJJUSVLADZMPIJ-TXNHMLTKSA-N 1 2 353.444 2.073 20 5 FEBDLO O=C(NCCC[NH+]1CCOCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000040938524 208276261 /nfs/dbraw/zinc/27/62/61/208276261.db2.gz YXFJWJQSCDDJGP-UHFFFAOYSA-N 1 2 365.433 2.133 20 5 FEBDLO Cc1cc(N2CCC[C@@H](CC(N)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000080683275 542601698 /nfs/dbraw/zinc/60/16/98/542601698.db2.gz ZKTVIDNONNGWPF-ZDUSSCGKSA-N 1 2 355.398 2.452 20 5 FEBDLO CCc1nn(C)c(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000092828752 542889766 /nfs/dbraw/zinc/88/97/66/542889766.db2.gz YDLCRWPPPCHEFB-LBPRGKRZSA-N 1 2 360.418 2.123 20 5 FEBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093441373 542931141 /nfs/dbraw/zinc/93/11/41/542931141.db2.gz YHJKCXHYTHWZEC-NHYWBVRUSA-N 1 2 362.407 2.432 20 5 FEBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093441373 542931144 /nfs/dbraw/zinc/93/11/44/542931144.db2.gz YHJKCXHYTHWZEC-NHYWBVRUSA-N 1 2 362.407 2.432 20 5 FEBDLO Cc1nn(C)c(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)c1[N+](=O)[O-] ZINC000098099032 543020981 /nfs/dbraw/zinc/02/09/81/543020981.db2.gz YWANXAQZIPFZQV-UHFFFAOYSA-N 1 2 372.429 2.198 20 5 FEBDLO CC(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000101553640 543031963 /nfs/dbraw/zinc/03/19/63/543031963.db2.gz YSWGGLFDAKNYCR-HNNXBMFYSA-N 1 2 363.414 2.198 20 5 FEBDLO CC(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000101553640 543031966 /nfs/dbraw/zinc/03/19/66/543031966.db2.gz YSWGGLFDAKNYCR-HNNXBMFYSA-N 1 2 363.414 2.198 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)nc1 ZINC000101557530 543032653 /nfs/dbraw/zinc/03/26/53/543032653.db2.gz WOXZGXOQOYSOTI-UHFFFAOYSA-N 1 2 364.409 2.498 20 5 FEBDLO C[N@@H+]1CCc2nc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)sc2C1 ZINC000102889853 543084725 /nfs/dbraw/zinc/08/47/25/543084725.db2.gz KJSGNVDQPRYPOT-UHFFFAOYSA-N 1 2 351.363 2.013 20 5 FEBDLO C[N@H+]1CCc2nc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)sc2C1 ZINC000102889853 543084727 /nfs/dbraw/zinc/08/47/27/543084727.db2.gz KJSGNVDQPRYPOT-UHFFFAOYSA-N 1 2 351.363 2.013 20 5 FEBDLO Cc1cccn2cc(CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)[nH+]c12 ZINC000106997245 543259121 /nfs/dbraw/zinc/25/91/21/543259121.db2.gz CIGNDKPCGTZNMP-UHFFFAOYSA-N 1 2 374.422 2.380 20 5 FEBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000108418865 543289654 /nfs/dbraw/zinc/28/96/54/543289654.db2.gz SNURTWAEFZBXEZ-UHFFFAOYSA-N 1 2 351.366 2.434 20 5 FEBDLO C[C@@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000156008100 545591816 /nfs/dbraw/zinc/59/18/16/545591816.db2.gz DSTCVVGCCOGFTR-CJNGLKHVSA-N 1 2 364.427 2.204 20 5 FEBDLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000111294995 543393515 /nfs/dbraw/zinc/39/35/15/543393515.db2.gz OMTKGCGKKDLOLS-OAHLLOKOSA-N 1 2 361.398 2.048 20 5 FEBDLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000111294995 543393517 /nfs/dbraw/zinc/39/35/17/543393517.db2.gz OMTKGCGKKDLOLS-OAHLLOKOSA-N 1 2 361.398 2.048 20 5 FEBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116272157 543606127 /nfs/dbraw/zinc/60/61/27/543606127.db2.gz UVYQADPFTOSIGO-ZDUSSCGKSA-N 1 2 368.865 2.281 20 5 FEBDLO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000120801603 543685073 /nfs/dbraw/zinc/68/50/73/543685073.db2.gz WJECEWWVYINKDS-PBHICJAKSA-N 1 2 356.382 2.468 20 5 FEBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccs1 ZINC000123664733 543775925 /nfs/dbraw/zinc/77/59/25/543775925.db2.gz OWCDVYLHLVDZTF-LBPRGKRZSA-N 1 2 373.431 2.377 20 5 FEBDLO COc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000124145420 543803486 /nfs/dbraw/zinc/80/34/86/543803486.db2.gz LIUUANOCGMTESS-SFHVURJKSA-N 1 2 371.393 2.443 20 5 FEBDLO COc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000124145420 543803488 /nfs/dbraw/zinc/80/34/88/543803488.db2.gz LIUUANOCGMTESS-SFHVURJKSA-N 1 2 371.393 2.443 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000125282949 543872388 /nfs/dbraw/zinc/87/23/88/543872388.db2.gz JRGOWUFMHVPKQG-OAHLLOKOSA-N 1 2 369.425 2.135 20 5 FEBDLO Cc1c(CC(=O)N2CCN(C3=[NH+]C[C@H](C)S3)CC2)cccc1[N+](=O)[O-] ZINC000125637943 543893132 /nfs/dbraw/zinc/89/31/32/543893132.db2.gz QUUCOMPYGPAGTA-LBPRGKRZSA-N 1 2 362.455 2.081 20 5 FEBDLO Cc1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000151497664 544548914 /nfs/dbraw/zinc/54/89/14/544548914.db2.gz WHNKZRSKAISSSE-XJKSGUPXSA-N 1 2 371.397 2.148 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000153275758 544754709 /nfs/dbraw/zinc/75/47/09/544754709.db2.gz RPCJZLSQWGWFIB-UHFFFAOYSA-N 1 2 374.441 2.319 20 5 FEBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000187298233 328014581 /nfs/dbraw/zinc/01/45/81/328014581.db2.gz DIRXTNRVHOPNSW-ZDUSSCGKSA-N 1 2 367.471 2.234 20 5 FEBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000187298233 328014583 /nfs/dbraw/zinc/01/45/83/328014583.db2.gz DIRXTNRVHOPNSW-ZDUSSCGKSA-N 1 2 367.471 2.234 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)n1 ZINC000191774693 328281081 /nfs/dbraw/zinc/28/10/81/328281081.db2.gz UMDMFRIZWCSCII-UHFFFAOYSA-N 1 2 372.429 2.373 20 5 FEBDLO COC(=O)[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000191833689 328284048 /nfs/dbraw/zinc/28/40/48/328284048.db2.gz PFURTZUKCYROPL-RISCZKNCSA-N 1 2 360.370 2.276 20 5 FEBDLO COC(=O)[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000191833689 328284049 /nfs/dbraw/zinc/28/40/49/328284049.db2.gz PFURTZUKCYROPL-RISCZKNCSA-N 1 2 360.370 2.276 20 5 FEBDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000192242868 328308783 /nfs/dbraw/zinc/30/87/83/328308783.db2.gz VTRQXXFYWQZASG-UHFFFAOYSA-N 1 2 366.443 2.455 20 5 FEBDLO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000194586190 328430950 /nfs/dbraw/zinc/43/09/50/328430950.db2.gz QGVFDIQGXCJUCU-UHFFFAOYSA-N 1 2 357.370 2.216 20 5 FEBDLO O=C(COc1ccccc1[N+](=O)[O-])NCc1ccc(N2CCCC2)[nH+]c1 ZINC000031313921 324467007 /nfs/dbraw/zinc/46/70/07/324467007.db2.gz XJAFLXBRTNJVFY-UHFFFAOYSA-N 1 2 356.382 2.285 20 5 FEBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116271553 326002912 /nfs/dbraw/zinc/00/29/12/326002912.db2.gz YWEGMNDOGDOFNE-GFCCVEGCSA-N 1 2 366.849 2.033 20 5 FEBDLO Cc1nn(CCC(=O)NCc2ccc(N3CCCC3)[nH+]c2)c(C)c1[N+](=O)[O-] ZINC000116652233 326028564 /nfs/dbraw/zinc/02/85/64/326028564.db2.gz YBOMPZOYRHSJNJ-UHFFFAOYSA-N 1 2 372.429 2.110 20 5 FEBDLO COCCOC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000116886954 326040152 /nfs/dbraw/zinc/04/01/52/326040152.db2.gz UVVURVPGRWKCDF-CYBMUJFWSA-N 1 2 351.403 2.049 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)cc([N+](=O)[O-])c1F ZINC000120842827 326292700 /nfs/dbraw/zinc/29/27/00/326292700.db2.gz VRBNFRBUETVWCH-UHFFFAOYSA-N 1 2 368.390 2.265 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCCN(C(=O)C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000121429677 326338233 /nfs/dbraw/zinc/33/82/33/326338233.db2.gz ZIESOMOTHRZIDJ-AWEZNQCLSA-N 1 2 374.441 2.175 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCCN(C(=O)C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000121429677 326338234 /nfs/dbraw/zinc/33/82/34/326338234.db2.gz ZIESOMOTHRZIDJ-AWEZNQCLSA-N 1 2 374.441 2.175 20 5 FEBDLO Cc1sc(S(=O)(=O)NCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000122843406 326411230 /nfs/dbraw/zinc/41/12/30/326411230.db2.gz PCBZXBCZPIGLQG-UHFFFAOYSA-N 1 2 352.397 2.091 20 5 FEBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCO)CC1 ZINC000133425124 326608519 /nfs/dbraw/zinc/60/85/19/326608519.db2.gz HHWUJEOPFKGAPX-UHFFFAOYSA-N 1 2 367.471 2.093 20 5 FEBDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000164577072 327072035 /nfs/dbraw/zinc/07/20/35/327072035.db2.gz XGCQYRTUBUUCPV-UHFFFAOYSA-N 1 2 365.411 2.015 20 5 FEBDLO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000170751964 327097158 /nfs/dbraw/zinc/09/71/58/327097158.db2.gz KCSJEEHHZQTBCG-AWEZNQCLSA-N 1 2 372.381 2.438 20 5 FEBDLO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000170751964 327097160 /nfs/dbraw/zinc/09/71/60/327097160.db2.gz KCSJEEHHZQTBCG-AWEZNQCLSA-N 1 2 372.381 2.438 20 5 FEBDLO COc1ccc(OCC[NH+]2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000173445300 327257546 /nfs/dbraw/zinc/25/75/46/327257546.db2.gz KVBIXTYLLWNVJN-UHFFFAOYSA-N 1 2 363.336 2.162 20 5 FEBDLO CC(C)OC(=O)[C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000174298643 327318276 /nfs/dbraw/zinc/31/82/76/327318276.db2.gz YYHRXZTVTDKCCM-LBPRGKRZSA-N 1 2 360.370 2.098 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174785768 327350860 /nfs/dbraw/zinc/35/08/60/327350860.db2.gz VIBIIAZLMNMNPK-HOCLYGCPSA-N 1 2 356.444 2.391 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174785768 327350861 /nfs/dbraw/zinc/35/08/61/327350861.db2.gz VIBIIAZLMNMNPK-HOCLYGCPSA-N 1 2 356.444 2.391 20 5 FEBDLO O=C(C[NH+]1CCC(OC[C@@H]2CCCO2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000177465724 327524338 /nfs/dbraw/zinc/52/43/38/327524338.db2.gz JKAAQHLXUNEJTL-HNNXBMFYSA-N 1 2 363.414 2.193 20 5 FEBDLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000265470755 329130524 /nfs/dbraw/zinc/13/05/24/329130524.db2.gz PLSCCDFUPUKNGW-NSHDSACASA-N 1 2 361.851 2.009 20 5 FEBDLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000265470755 329130526 /nfs/dbraw/zinc/13/05/26/329130526.db2.gz PLSCCDFUPUKNGW-NSHDSACASA-N 1 2 361.851 2.009 20 5 FEBDLO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269206717 329496533 /nfs/dbraw/zinc/49/65/33/329496533.db2.gz UJVUHZRNTYYCPE-UHFFFAOYSA-N 1 2 371.393 2.427 20 5 FEBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271145970 329666634 /nfs/dbraw/zinc/66/66/34/329666634.db2.gz WHZPZNFENKVDDB-UHFFFAOYSA-N 1 2 364.427 2.070 20 5 FEBDLO CC[C@H](C)NC(=O)CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272502787 329786334 /nfs/dbraw/zinc/78/63/34/329786334.db2.gz HLAZOWQTVNJAPY-GUYCJALGSA-N 1 2 359.430 2.312 20 5 FEBDLO O=C(C[NH2+][C@@H](CCO)c1ccco1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000185096642 518198714 /nfs/dbraw/zinc/19/87/14/518198714.db2.gz MFUANIJRYYUJOZ-ZDUSSCGKSA-N 1 2 353.762 2.493 20 5 FEBDLO CCOCCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000157718240 545773211 /nfs/dbraw/zinc/77/32/11/545773211.db2.gz NMIDYLKZKCMZJT-GJZGRUSLSA-N 1 2 365.430 2.358 20 5 FEBDLO CCOCCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000157718240 545773218 /nfs/dbraw/zinc/77/32/18/545773218.db2.gz NMIDYLKZKCMZJT-GJZGRUSLSA-N 1 2 365.430 2.358 20 5 FEBDLO Cc1c(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000479754583 561196287 /nfs/dbraw/zinc/19/62/87/561196287.db2.gz ZBAGEGGZRFZZMV-HNNXBMFYSA-N 1 2 355.398 2.376 20 5 FEBDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000176664924 546473806 /nfs/dbraw/zinc/47/38/06/546473806.db2.gz QSVRRAQDABMSJK-UHFFFAOYSA-N 1 2 351.403 2.069 20 5 FEBDLO CCOC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000176664924 546473807 /nfs/dbraw/zinc/47/38/07/546473807.db2.gz QSVRRAQDABMSJK-UHFFFAOYSA-N 1 2 351.403 2.069 20 5 FEBDLO O=C(c1ccc(O)cc1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000177183215 546564101 /nfs/dbraw/zinc/56/41/01/546564101.db2.gz KMAZJHWNBAACFE-UHFFFAOYSA-N 1 2 355.394 2.301 20 5 FEBDLO COC(=O)[C@]1(C)CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000177429918 546616569 /nfs/dbraw/zinc/61/65/69/546616569.db2.gz ZJPBVHBBNADJAI-OAHLLOKOSA-N 1 2 355.778 2.072 20 5 FEBDLO COC(=O)[C@]1(C)CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000177429918 546616574 /nfs/dbraw/zinc/61/65/74/546616574.db2.gz ZJPBVHBBNADJAI-OAHLLOKOSA-N 1 2 355.778 2.072 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178403376 546787067 /nfs/dbraw/zinc/78/70/67/546787067.db2.gz UQRUTIASAHXBBM-UHFFFAOYSA-N 1 2 366.786 2.374 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)Cn2cc[nH+]c2)c1C ZINC000481435581 561232726 /nfs/dbraw/zinc/23/27/26/561232726.db2.gz MUEVSQULWWMCMX-NSHDSACASA-N 1 2 352.416 2.023 20 5 FEBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000178859553 546862507 /nfs/dbraw/zinc/86/25/07/546862507.db2.gz VVJJWSXMDJBOEJ-OAHLLOKOSA-N 1 2 355.398 2.410 20 5 FEBDLO C[C@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1cccc([N+](=O)[O-])c1 ZINC000180406017 547102513 /nfs/dbraw/zinc/10/25/13/547102513.db2.gz HSFBBRNGOIFNAZ-JTQLQIEISA-N 1 2 355.441 2.447 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000483056760 561266271 /nfs/dbraw/zinc/26/62/71/561266271.db2.gz WKYZLHVSHKCUQP-INIZCTEOSA-N 1 2 363.414 2.112 20 5 FEBDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181509849 547325662 /nfs/dbraw/zinc/32/56/62/547325662.db2.gz SLLDLNNBSMOBSV-UHFFFAOYSA-N 1 2 373.356 2.037 20 5 FEBDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181509849 547325663 /nfs/dbraw/zinc/32/56/63/547325663.db2.gz SLLDLNNBSMOBSV-UHFFFAOYSA-N 1 2 373.356 2.037 20 5 FEBDLO Cc1ccc(S(=O)(=O)NCc2[nH+]ccn2CC(C)C)cc1[N+](=O)[O-] ZINC000182410107 547488812 /nfs/dbraw/zinc/48/88/12/547488812.db2.gz VBYNGRPJBRTJDB-UHFFFAOYSA-N 1 2 352.416 2.234 20 5 FEBDLO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC(n2cc[nH+]c2)CC1 ZINC000182944096 547576596 /nfs/dbraw/zinc/57/65/96/547576596.db2.gz KWOFAAKHKFHUFU-KRWDZBQOSA-N 1 2 369.381 2.148 20 5 FEBDLO Cc1csc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000184208188 547787127 /nfs/dbraw/zinc/78/71/27/547787127.db2.gz CQZBRKLSFFFWBI-LLVKDONJSA-N 1 2 355.441 2.484 20 5 FEBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000192549539 548366116 /nfs/dbraw/zinc/36/61/16/548366116.db2.gz MYPWSDAMSROWNG-UHFFFAOYSA-N 1 2 362.411 2.069 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000193399973 548386366 /nfs/dbraw/zinc/38/63/66/548386366.db2.gz CSYYFAKXEXWHJW-UHFFFAOYSA-N 1 2 369.381 2.293 20 5 FEBDLO COCCSCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000486705167 561354882 /nfs/dbraw/zinc/35/48/82/561354882.db2.gz AIAIYLHWIYNYNG-UHFFFAOYSA-N 1 2 373.500 2.184 20 5 FEBDLO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000247364238 549324664 /nfs/dbraw/zinc/32/46/64/549324664.db2.gz FLYHFNHCAOQSIH-UHFFFAOYSA-N 1 2 371.422 2.491 20 5 FEBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2C1 ZINC000249037101 549541553 /nfs/dbraw/zinc/54/15/53/549541553.db2.gz SYQZZBZGTAZQFI-VNQPRFMTSA-N 1 2 351.359 2.271 20 5 FEBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2C1 ZINC000249037101 549541556 /nfs/dbraw/zinc/54/15/56/549541556.db2.gz SYQZZBZGTAZQFI-VNQPRFMTSA-N 1 2 351.359 2.271 20 5 FEBDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255901602 549709983 /nfs/dbraw/zinc/70/99/83/549709983.db2.gz JKJWKOUQUDCHSU-QKIRZYONSA-N 1 2 360.458 2.140 20 5 FEBDLO C[C@@H](C[NH+]1CCN(C)CC1)Nc1cc(Br)ccc1[N+](=O)[O-] ZINC000268798047 550117520 /nfs/dbraw/zinc/11/75/20/550117520.db2.gz IIBLIWVNWVRHPZ-NSHDSACASA-N 1 2 357.252 2.405 20 5 FEBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000492652530 561452261 /nfs/dbraw/zinc/45/22/61/561452261.db2.gz CFDNTMJCRHGRDV-GXSJLCMTSA-N 1 2 364.789 2.412 20 5 FEBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000492652530 561452262 /nfs/dbraw/zinc/45/22/62/561452262.db2.gz CFDNTMJCRHGRDV-GXSJLCMTSA-N 1 2 364.789 2.412 20 5 FEBDLO CC(C)c1n[nH]c(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1[N+](=O)[O-] ZINC000269328138 550181522 /nfs/dbraw/zinc/18/15/22/550181522.db2.gz DMWXKFRGCUFUOR-ZDUSSCGKSA-N 1 2 372.429 2.355 20 5 FEBDLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])cn1 ZINC000269338864 550183017 /nfs/dbraw/zinc/18/30/17/550183017.db2.gz COJLPQKLJYXZMB-UHFFFAOYSA-N 1 2 369.385 2.260 20 5 FEBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000493344107 561455584 /nfs/dbraw/zinc/45/55/84/561455584.db2.gz LLSRBLBJURZPRB-UHFFFAOYSA-N 1 2 366.786 2.374 20 5 FEBDLO COc1ccc(OC)c2c1C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]2O ZINC000269656885 550214302 /nfs/dbraw/zinc/21/43/02/550214302.db2.gz OTMLPMNKQGSOGF-JKSUJKDBSA-N 1 2 374.393 2.195 20 5 FEBDLO COc1ccc(OC)c2c1C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]2O ZINC000269656885 550214304 /nfs/dbraw/zinc/21/43/04/550214304.db2.gz OTMLPMNKQGSOGF-JKSUJKDBSA-N 1 2 374.393 2.195 20 5 FEBDLO CC[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000270370409 550266197 /nfs/dbraw/zinc/26/61/97/550266197.db2.gz MRULGHZXXMBDAD-WDEREUQCSA-N 1 2 373.251 2.034 20 5 FEBDLO CC[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000270370409 550266200 /nfs/dbraw/zinc/26/62/00/550266200.db2.gz MRULGHZXXMBDAD-WDEREUQCSA-N 1 2 373.251 2.034 20 5 FEBDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccncc1[N+](=O)[O-] ZINC000272752500 550469019 /nfs/dbraw/zinc/46/90/19/550469019.db2.gz TXZXUZGAGNPYEN-OAHLLOKOSA-N 1 2 371.397 2.012 20 5 FEBDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccncc1[N+](=O)[O-] ZINC000272752500 550469020 /nfs/dbraw/zinc/46/90/20/550469020.db2.gz TXZXUZGAGNPYEN-OAHLLOKOSA-N 1 2 371.397 2.012 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000273538082 550502108 /nfs/dbraw/zinc/50/21/08/550502108.db2.gz DMIKOUCKSVZHBM-BDAKNGLRSA-N 1 2 365.415 2.441 20 5 FEBDLO COC(=O)c1cc(NC(=O)N(C)Cc2[nH+]ccn2C)c(C)c([N+](=O)[O-])c1 ZINC000277379369 550663524 /nfs/dbraw/zinc/66/35/24/550663524.db2.gz ZZGNPNWUURZDKH-UHFFFAOYSA-N 1 2 361.358 2.087 20 5 FEBDLO COCC[NH+]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000277957687 550732907 /nfs/dbraw/zinc/73/29/07/550732907.db2.gz KETCIESNARUOOW-UHFFFAOYSA-N 1 2 365.433 2.498 20 5 FEBDLO CCOC1CC(CNc2ncc(Cl)cc2[N+](=O)[O-])([NH+]2CCOCC2)C1 ZINC000278042296 550742388 /nfs/dbraw/zinc/74/23/88/550742388.db2.gz QRVCWRALSJVTFP-UHFFFAOYSA-N 1 2 370.837 2.325 20 5 FEBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000280252244 550974525 /nfs/dbraw/zinc/97/45/25/550974525.db2.gz LFUSKWBRMKIXLD-INIZCTEOSA-N 1 2 351.359 2.273 20 5 FEBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000280252244 550974526 /nfs/dbraw/zinc/97/45/26/550974526.db2.gz LFUSKWBRMKIXLD-INIZCTEOSA-N 1 2 351.359 2.273 20 5 FEBDLO O=C1N[C@H]2CC[N@@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]2CO1 ZINC000281127655 551066366 /nfs/dbraw/zinc/06/63/66/551066366.db2.gz CPGJEGNCWNLYHK-PWSUYJOCSA-N 1 2 370.203 2.288 20 5 FEBDLO O=C1N[C@H]2CC[N@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]2CO1 ZINC000281127655 551066367 /nfs/dbraw/zinc/06/63/67/551066367.db2.gz CPGJEGNCWNLYHK-PWSUYJOCSA-N 1 2 370.203 2.288 20 5 FEBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000282169495 551189832 /nfs/dbraw/zinc/18/98/32/551189832.db2.gz DVJARKDNCCVTCR-INIZCTEOSA-N 1 2 371.441 2.272 20 5 FEBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000282169495 551189833 /nfs/dbraw/zinc/18/98/33/551189833.db2.gz DVJARKDNCCVTCR-INIZCTEOSA-N 1 2 371.441 2.272 20 5 FEBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000282761987 551267501 /nfs/dbraw/zinc/26/75/01/551267501.db2.gz NHWAVPYUBQJVRB-INIZCTEOSA-N 1 2 369.425 2.453 20 5 FEBDLO CC[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000284971646 551680387 /nfs/dbraw/zinc/68/03/87/551680387.db2.gz RAFZWLJNERZJGL-BBWFWOEESA-N 1 2 362.430 2.160 20 5 FEBDLO CC[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000284971646 551680388 /nfs/dbraw/zinc/68/03/88/551680388.db2.gz RAFZWLJNERZJGL-BBWFWOEESA-N 1 2 362.430 2.160 20 5 FEBDLO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nncn1C ZINC000285502380 551766403 /nfs/dbraw/zinc/76/64/03/551766403.db2.gz XRVLWZKAAVVIMT-CQSZACIVSA-N 1 2 366.809 2.302 20 5 FEBDLO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000286199820 551860188 /nfs/dbraw/zinc/86/01/88/551860188.db2.gz SDQNSDYQUMWWRL-OAHLLOKOSA-N 1 2 359.382 2.342 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000286632250 551908522 /nfs/dbraw/zinc/90/85/22/551908522.db2.gz CXCQCZCGBZCIMF-NEPJUHHUSA-N 1 2 353.806 2.183 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000289005718 552251126 /nfs/dbraw/zinc/25/11/26/552251126.db2.gz UIZUZKUDWKYWOO-CYBMUJFWSA-N 1 2 354.388 2.002 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000289355908 552306498 /nfs/dbraw/zinc/30/64/98/552306498.db2.gz MBMDYRDIVLESQR-AAEUAGOBSA-N 1 2 353.806 2.183 20 5 FEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289494634 552330741 /nfs/dbraw/zinc/33/07/41/552330741.db2.gz SXAHNAAMGIEFNZ-LBPRGKRZSA-N 1 2 361.402 2.173 20 5 FEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289494634 552330742 /nfs/dbraw/zinc/33/07/42/552330742.db2.gz SXAHNAAMGIEFNZ-LBPRGKRZSA-N 1 2 361.402 2.173 20 5 FEBDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000500499172 561575251 /nfs/dbraw/zinc/57/52/51/561575251.db2.gz HWVFVMYVSHTSDZ-CYBMUJFWSA-N 1 2 359.386 2.135 20 5 FEBDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000500499172 561575252 /nfs/dbraw/zinc/57/52/52/561575252.db2.gz HWVFVMYVSHTSDZ-CYBMUJFWSA-N 1 2 359.386 2.135 20 5 FEBDLO C[C@H](c1ccsc1)[NH+]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290875570 552553792 /nfs/dbraw/zinc/55/37/92/552553792.db2.gz BFRJBPSNRDSRFZ-LLVKDONJSA-N 1 2 361.427 2.033 20 5 FEBDLO COC(=O)N1CCN(c2ccc(Nc3ncccc3[N+](=O)[O-])c[nH+]2)CC1 ZINC000292803030 552759995 /nfs/dbraw/zinc/75/99/95/552759995.db2.gz NMFGSZDXFPHMKD-UHFFFAOYSA-N 1 2 358.358 2.017 20 5 FEBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000293898135 552866345 /nfs/dbraw/zinc/86/63/45/552866345.db2.gz FEYRDPCSRDRHCW-UHFFFAOYSA-N 1 2 365.393 2.201 20 5 FEBDLO Cc1nc(NCc2ccccc2OCC[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000295605993 553032611 /nfs/dbraw/zinc/03/26/11/553032611.db2.gz UYDPCTVJKXIXMP-UHFFFAOYSA-N 1 2 373.413 2.016 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1(C)C ZINC000295913446 553075373 /nfs/dbraw/zinc/07/53/73/553075373.db2.gz OEWJXPUKUMKYJJ-ZDUSSCGKSA-N 1 2 359.342 2.460 20 5 FEBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000296210167 553123151 /nfs/dbraw/zinc/12/31/51/553123151.db2.gz JQBZMIWKXABDST-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000296210167 553123154 /nfs/dbraw/zinc/12/31/54/553123154.db2.gz JQBZMIWKXABDST-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000296563645 553180317 /nfs/dbraw/zinc/18/03/17/553180317.db2.gz CQOHGQOMKDTBMK-QWHCGFSZSA-N 1 2 364.402 2.003 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000296563645 553180318 /nfs/dbraw/zinc/18/03/18/553180318.db2.gz CQOHGQOMKDTBMK-QWHCGFSZSA-N 1 2 364.402 2.003 20 5 FEBDLO COc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(C)n2)[NH+]2CCOCC2)cc1 ZINC000296594372 553184696 /nfs/dbraw/zinc/18/46/96/553184696.db2.gz SGLJCGLEOOEJRL-KRWDZBQOSA-N 1 2 373.413 2.187 20 5 FEBDLO COC(=O)C1([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000502762615 561624963 /nfs/dbraw/zinc/62/49/63/561624963.db2.gz KTVFOKCYBVQXNX-OAHLLOKOSA-N 1 2 366.414 2.190 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000502793175 561625631 /nfs/dbraw/zinc/62/56/31/561625631.db2.gz RVTNUZORFGSIHK-HNNXBMFYSA-N 1 2 356.444 2.393 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000502793175 561625632 /nfs/dbraw/zinc/62/56/32/561625632.db2.gz RVTNUZORFGSIHK-HNNXBMFYSA-N 1 2 356.444 2.393 20 5 FEBDLO Cc1cc(NCc2ccc(C[NH+]3CCS(=O)CC3)cc2)ncc1[N+](=O)[O-] ZINC000601178595 553356936 /nfs/dbraw/zinc/35/69/36/553356936.db2.gz UZCTVCUKTQFYNH-UHFFFAOYSA-N 1 2 374.466 2.475 20 5 FEBDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000298385328 553419461 /nfs/dbraw/zinc/41/94/61/553419461.db2.gz CRBWOPORBAKBGX-UHFFFAOYSA-N 1 2 358.398 2.087 20 5 FEBDLO Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccc3c(c2)[nH+]c(C2CC2)n3C)n1 ZINC000298438460 553424962 /nfs/dbraw/zinc/42/49/62/553424962.db2.gz PETXDNATNLFHJM-UHFFFAOYSA-N 1 2 354.370 2.022 20 5 FEBDLO NC(=O)c1cc([N+](=O)[O-])cnc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000298689155 553458921 /nfs/dbraw/zinc/45/89/21/553458921.db2.gz CRAVQFQVVJSDNH-UHFFFAOYSA-N 1 2 356.386 2.086 20 5 FEBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])NCCc1cn2c([nH+]1)CCCC2 ZINC000504495989 561659005 /nfs/dbraw/zinc/65/90/05/561659005.db2.gz HBOUCEHPSBZEIC-UHFFFAOYSA-N 1 2 372.429 2.081 20 5 FEBDLO COc1cc(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c(F)cc1[N+](=O)[O-] ZINC000301884403 553688654 /nfs/dbraw/zinc/68/86/54/553688654.db2.gz NZKDQWLIGYMVKO-SNVBAGLBSA-N 1 2 354.407 2.356 20 5 FEBDLO NS(=O)(=O)c1cccc(Oc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000302047371 553700502 /nfs/dbraw/zinc/70/05/02/553700502.db2.gz VKUZYMUWPLBQPU-UHFFFAOYSA-N 1 2 360.351 2.220 20 5 FEBDLO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000302106349 553704430 /nfs/dbraw/zinc/70/44/30/553704430.db2.gz XOLXLKCMTOHYLA-MNOVXSKESA-N 1 2 359.473 2.123 20 5 FEBDLO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000302106349 553704433 /nfs/dbraw/zinc/70/44/33/553704433.db2.gz XOLXLKCMTOHYLA-MNOVXSKESA-N 1 2 359.473 2.123 20 5 FEBDLO COc1ccccc1[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000505462022 561671422 /nfs/dbraw/zinc/67/14/22/561671422.db2.gz VHHFTOWBKCTXKQ-INIZCTEOSA-N 1 2 370.409 2.188 20 5 FEBDLO COC(=O)c1cc(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)cc([N+](=O)[O-])c1 ZINC000505848840 561682780 /nfs/dbraw/zinc/68/27/80/561682780.db2.gz AGEHMPGENASNET-GFCCVEGCSA-N 1 2 372.381 2.194 20 5 FEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000330553489 554137239 /nfs/dbraw/zinc/13/72/39/554137239.db2.gz OCNLWHBGIJVDRE-MNOVXSKESA-N 1 2 361.851 2.351 20 5 FEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000330553489 554137242 /nfs/dbraw/zinc/13/72/42/554137242.db2.gz OCNLWHBGIJVDRE-MNOVXSKESA-N 1 2 361.851 2.351 20 5 FEBDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330815058 554175412 /nfs/dbraw/zinc/17/54/12/554175412.db2.gz QNPZOSABQSHEJP-CYBMUJFWSA-N 1 2 361.851 2.150 20 5 FEBDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330815058 554175413 /nfs/dbraw/zinc/17/54/13/554175413.db2.gz QNPZOSABQSHEJP-CYBMUJFWSA-N 1 2 361.851 2.150 20 5 FEBDLO CC[C@H]1C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@]2(CCOC2)O1 ZINC000331506081 554276527 /nfs/dbraw/zinc/27/65/27/554276527.db2.gz IIMVMIQJBGEDMI-MAUKXSAKSA-N 1 2 363.414 2.112 20 5 FEBDLO CC[C@H]1C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@]2(CCOC2)O1 ZINC000331506081 554276529 /nfs/dbraw/zinc/27/65/29/554276529.db2.gz IIMVMIQJBGEDMI-MAUKXSAKSA-N 1 2 363.414 2.112 20 5 FEBDLO CCOc1cc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000331856825 554331733 /nfs/dbraw/zinc/33/17/33/554331733.db2.gz AUUXCVAOGFRPID-UAGQMJEPSA-N 1 2 350.415 2.355 20 5 FEBDLO CCOc1cc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000331856825 554331735 /nfs/dbraw/zinc/33/17/35/554331735.db2.gz AUUXCVAOGFRPID-UAGQMJEPSA-N 1 2 350.415 2.355 20 5 FEBDLO Cc1cc(N[C@@H]2CC(=O)N3CCCC[C@H]23)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000509480856 561801311 /nfs/dbraw/zinc/80/13/11/561801311.db2.gz TXRWMXWSIHZOIT-HZPDHXFCSA-N 1 2 367.409 2.347 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000332118303 554384104 /nfs/dbraw/zinc/38/41/04/554384104.db2.gz FBOLXAJNAGEOIY-HUUCEWRRSA-N 1 2 351.428 2.048 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000332118303 554384108 /nfs/dbraw/zinc/38/41/08/554384108.db2.gz FBOLXAJNAGEOIY-HUUCEWRRSA-N 1 2 351.428 2.048 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cc1C ZINC000510445797 561834708 /nfs/dbraw/zinc/83/47/08/561834708.db2.gz GNQCDTQDFJAPIB-OAHLLOKOSA-N 1 2 364.427 2.375 20 5 FEBDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000510483545 561836092 /nfs/dbraw/zinc/83/60/92/561836092.db2.gz AZNKVPUDAXZVTH-UHFFFAOYSA-N 1 2 361.423 2.100 20 5 FEBDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000510483545 561836093 /nfs/dbraw/zinc/83/60/93/561836093.db2.gz AZNKVPUDAXZVTH-UHFFFAOYSA-N 1 2 361.423 2.100 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000511152670 561859377 /nfs/dbraw/zinc/85/93/77/561859377.db2.gz SKTAAPLLYKMRFE-AWEZNQCLSA-N 1 2 357.414 2.455 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000511152670 561859378 /nfs/dbraw/zinc/85/93/78/561859378.db2.gz SKTAAPLLYKMRFE-AWEZNQCLSA-N 1 2 357.414 2.455 20 5 FEBDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000511271358 561863403 /nfs/dbraw/zinc/86/34/03/561863403.db2.gz LOWINTVKEKBLCW-CYBMUJFWSA-N 1 2 370.818 2.411 20 5 FEBDLO CC(C)CNC(=O)Cc1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000351100714 554836728 /nfs/dbraw/zinc/83/67/28/554836728.db2.gz VNWOFUPPDJDKKW-UHFFFAOYSA-N 1 2 370.369 2.145 20 5 FEBDLO CCc1nc([C@H]2CCC[N@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000363018022 555011338 /nfs/dbraw/zinc/01/13/38/555011338.db2.gz MKQBFKCWFACWEM-ZDUSSCGKSA-N 1 2 373.413 2.383 20 5 FEBDLO CCc1nc([C@H]2CCC[N@@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000363018022 555011342 /nfs/dbraw/zinc/01/13/42/555011342.db2.gz MKQBFKCWFACWEM-ZDUSSCGKSA-N 1 2 373.413 2.383 20 5 FEBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000363202735 555052397 /nfs/dbraw/zinc/05/23/97/555052397.db2.gz WWFBRITXBSEZHB-UHFFFAOYSA-N 1 2 374.372 2.293 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC[C@@H](O)C(F)(F)F ZINC000512459312 561905882 /nfs/dbraw/zinc/90/58/82/561905882.db2.gz GEQQFTKKQVXXOV-CQSZACIVSA-N 1 2 363.336 2.152 20 5 FEBDLO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365123634 555490471 /nfs/dbraw/zinc/49/04/71/555490471.db2.gz VHJGHXUDLQQLFT-MRXNPFEDSA-N 1 2 356.382 2.395 20 5 FEBDLO O=C(N[C@H]1CCc2[nH+]ccn2C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000365656494 555633971 /nfs/dbraw/zinc/63/39/71/555633971.db2.gz BVMSZLOWWVCFEB-ZETCQYMHSA-N 1 2 371.216 2.360 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 ZINC000365798052 555669918 /nfs/dbraw/zinc/66/99/18/555669918.db2.gz SZOJEHQPFXIYMC-UHFFFAOYSA-N 1 2 358.358 2.005 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 ZINC000365798052 555669920 /nfs/dbraw/zinc/66/99/20/555669920.db2.gz SZOJEHQPFXIYMC-UHFFFAOYSA-N 1 2 358.358 2.005 20 5 FEBDLO CCO[C@@H](C)c1noc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000365819044 555674615 /nfs/dbraw/zinc/67/46/15/555674615.db2.gz IAMJYTMFLIYSGM-NSHDSACASA-N 1 2 350.379 2.109 20 5 FEBDLO COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)c2[nH+]ccn2C)cc1 ZINC000366194005 555777497 /nfs/dbraw/zinc/77/74/97/555777497.db2.gz XOIJNVZQHXSPFX-MRXNPFEDSA-N 1 2 367.365 2.251 20 5 FEBDLO CC[C@@H](NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000366267367 555797116 /nfs/dbraw/zinc/79/71/16/555797116.db2.gz IHEOBJFPULNAGJ-DLBZAZTESA-N 1 2 362.430 2.208 20 5 FEBDLO CC[C@@H](NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000366267367 555797122 /nfs/dbraw/zinc/79/71/22/555797122.db2.gz IHEOBJFPULNAGJ-DLBZAZTESA-N 1 2 362.430 2.208 20 5 FEBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC(=O)Nc2cccc3c2[C@H]1CCC3 ZINC000366304736 555807237 /nfs/dbraw/zinc/80/72/37/555807237.db2.gz COGXMXLHXGNMIO-MRXNPFEDSA-N 1 2 368.393 2.088 20 5 FEBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC(=O)Nc2cccc3c2[C@H]1CCC3 ZINC000366304736 555807239 /nfs/dbraw/zinc/80/72/39/555807239.db2.gz COGXMXLHXGNMIO-MRXNPFEDSA-N 1 2 368.393 2.088 20 5 FEBDLO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000366388900 555830846 /nfs/dbraw/zinc/83/08/46/555830846.db2.gz SYZSBZVICBJKPE-CQSZACIVSA-N 1 2 356.444 2.263 20 5 FEBDLO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000366388900 555830849 /nfs/dbraw/zinc/83/08/49/555830849.db2.gz SYZSBZVICBJKPE-CQSZACIVSA-N 1 2 356.444 2.263 20 5 FEBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@@H]21 ZINC000366449645 555847131 /nfs/dbraw/zinc/84/71/31/555847131.db2.gz GHSLYRLCLCSVBF-QWHCGFSZSA-N 1 2 360.197 2.057 20 5 FEBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@@H]21 ZINC000366449645 555847134 /nfs/dbraw/zinc/84/71/34/555847134.db2.gz GHSLYRLCLCSVBF-QWHCGFSZSA-N 1 2 360.197 2.057 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000366604385 555888178 /nfs/dbraw/zinc/88/81/78/555888178.db2.gz RVVMNLDJLVMMEF-ZDUSSCGKSA-N 1 2 373.413 2.485 20 5 FEBDLO Cc1cc(OCC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000366764944 555928631 /nfs/dbraw/zinc/92/86/31/555928631.db2.gz CWTDQJOYYSKQMF-CQSZACIVSA-N 1 2 358.398 2.422 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c(Cl)c1 ZINC000368293405 556270573 /nfs/dbraw/zinc/27/05/73/556270573.db2.gz IRJJDOYMRRAWOE-NSHDSACASA-N 1 2 356.791 2.497 20 5 FEBDLO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000368294385 556271242 /nfs/dbraw/zinc/27/12/42/556271242.db2.gz QNCTWYFYJBWPCN-CQSZACIVSA-N 1 2 350.400 2.027 20 5 FEBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000368541253 556339959 /nfs/dbraw/zinc/33/99/59/556339959.db2.gz XWGBNVWVDBGCNV-LLVKDONJSA-N 1 2 359.361 2.110 20 5 FEBDLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000369234166 556543411 /nfs/dbraw/zinc/54/34/11/556543411.db2.gz BBVRJQKMLWZHHC-ZDUSSCGKSA-N 1 2 359.386 2.129 20 5 FEBDLO Cc1nc([C@H]2CCC[N@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000369234166 556543413 /nfs/dbraw/zinc/54/34/13/556543413.db2.gz BBVRJQKMLWZHHC-ZDUSSCGKSA-N 1 2 359.386 2.129 20 5 FEBDLO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(F)c2F)C[C@H]1[NH+]1CCOCC1 ZINC000371061089 557061865 /nfs/dbraw/zinc/06/18/65/557061865.db2.gz DNNJPKLZBWMANQ-XHDPSFHLSA-N 1 2 369.368 2.056 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccn(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000371491486 557197918 /nfs/dbraw/zinc/19/79/18/557197918.db2.gz QUBXWBDFPHWNIB-CYBMUJFWSA-N 1 2 366.381 2.030 20 5 FEBDLO Cc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372288057 557430580 /nfs/dbraw/zinc/43/05/80/557430580.db2.gz JCJVZPHLENCCJQ-QGZVFWFLSA-N 1 2 371.441 2.096 20 5 FEBDLO Cc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372288057 557430584 /nfs/dbraw/zinc/43/05/84/557430584.db2.gz JCJVZPHLENCCJQ-QGZVFWFLSA-N 1 2 371.441 2.096 20 5 FEBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000372379794 557454959 /nfs/dbraw/zinc/45/49/59/557454959.db2.gz IOJRCYPGLOFEAA-JQWIXIFHSA-N 1 2 364.793 2.114 20 5 FEBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H](n2cncn2)C1 ZINC000372379794 557454960 /nfs/dbraw/zinc/45/49/60/557454960.db2.gz IOJRCYPGLOFEAA-JQWIXIFHSA-N 1 2 364.793 2.114 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2noc3c2CCCC3)cc1 ZINC000520220776 562150874 /nfs/dbraw/zinc/15/08/74/562150874.db2.gz ONNCTWSYTBIXRW-UHFFFAOYSA-N 1 2 365.411 2.025 20 5 FEBDLO CCOc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373580302 557722209 /nfs/dbraw/zinc/72/22/09/557722209.db2.gz CATXWPQJBGNOHC-CQSZACIVSA-N 1 2 373.413 2.466 20 5 FEBDLO CCOc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373580302 557722211 /nfs/dbraw/zinc/72/22/11/557722211.db2.gz CATXWPQJBGNOHC-CQSZACIVSA-N 1 2 373.413 2.466 20 5 FEBDLO C[C@H](NC(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)c1cccs1 ZINC000373586113 557723878 /nfs/dbraw/zinc/72/38/78/557723878.db2.gz QHFOLZLJBZFWQS-STQMWFEESA-N 1 2 363.443 2.367 20 5 FEBDLO C[C@H](NC(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)c1cccs1 ZINC000373586113 557723880 /nfs/dbraw/zinc/72/38/80/557723880.db2.gz QHFOLZLJBZFWQS-STQMWFEESA-N 1 2 363.443 2.367 20 5 FEBDLO 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ILWQCWITUFFZLF-UKRRQHHQSA-N 1 2 367.471 2.302 20 5 FEBDLO CC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000429704194 559804228 /nfs/dbraw/zinc/80/42/28/559804228.db2.gz PMRSALMULUHAON-OAHLLOKOSA-N 1 2 365.411 2.189 20 5 FEBDLO COc1cc[nH+]cc1CNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000431483230 559840008 /nfs/dbraw/zinc/84/00/08/559840008.db2.gz MYKCHGDVIUTMGN-UHFFFAOYSA-N 1 2 353.176 3.076 20 5 FEBDLO Cc1sc(S(=O)(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000431637962 559843108 /nfs/dbraw/zinc/84/31/08/559843108.db2.gz UIDQGRAYJYYIJC-UHFFFAOYSA-N 1 2 370.456 2.318 20 5 FEBDLO CCN1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1c1[nH]cc[nH+]1 ZINC000433471004 559882444 /nfs/dbraw/zinc/88/24/44/559882444.db2.gz PICYXOOCZPQORI-INIZCTEOSA-N 1 2 368.397 2.318 20 5 FEBDLO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436169853 559936647 /nfs/dbraw/zinc/93/66/47/559936647.db2.gz CBKZRIGINUBPJW-UHFFFAOYSA-N 1 2 367.369 2.025 20 5 FEBDLO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436737216 559950696 /nfs/dbraw/zinc/95/06/96/559950696.db2.gz PQNJFIMWEVPWKB-INIZCTEOSA-N 1 2 359.382 2.342 20 5 FEBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000440315683 560008755 /nfs/dbraw/zinc/00/87/55/560008755.db2.gz LVRFYFBLHUPYTH-UHFFFAOYSA-N 1 2 367.365 2.212 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000443944684 560096927 /nfs/dbraw/zinc/09/69/27/560096927.db2.gz IFSOQOWYCDABSJ-UHFFFAOYSA-N 1 2 358.402 2.284 20 5 FEBDLO CCOC1CC(O)(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000443961626 560097622 /nfs/dbraw/zinc/09/76/22/560097622.db2.gz RJMZYZPEBPAFTH-UHFFFAOYSA-N 1 2 358.398 2.124 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3nncn3-c3ccccc3)C2)nc1 ZINC000444659880 560117728 /nfs/dbraw/zinc/11/77/28/560117728.db2.gz QUSLXYQNLVNBSK-AWEZNQCLSA-N 1 2 365.397 2.257 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3nncn3-c3ccccc3)C2)nc1 ZINC000444659880 560117729 /nfs/dbraw/zinc/11/77/29/560117729.db2.gz QUSLXYQNLVNBSK-AWEZNQCLSA-N 1 2 365.397 2.257 20 5 FEBDLO CCn1cccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])c1=O ZINC000447802021 560169499 /nfs/dbraw/zinc/16/94/99/560169499.db2.gz GPIRJSQOWGVSRI-UHFFFAOYSA-N 1 2 372.425 2.221 20 5 FEBDLO CCOC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448564302 560190318 /nfs/dbraw/zinc/19/03/18/560190318.db2.gz GGCAPHPTTUFKMQ-UHFFFAOYSA-N 1 2 372.381 2.196 20 5 FEBDLO CCOC(=O)CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000448867010 560203805 /nfs/dbraw/zinc/20/38/05/560203805.db2.gz GEIAMUNZRYYBNP-UHFFFAOYSA-N 1 2 360.370 2.194 20 5 FEBDLO COc1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])cc1F ZINC000450111989 560250985 /nfs/dbraw/zinc/25/09/85/560250985.db2.gz IXIUNZNKMARXQF-GFCCVEGCSA-N 1 2 361.329 2.431 20 5 FEBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000450358813 560259708 /nfs/dbraw/zinc/25/97/08/560259708.db2.gz TVJVASLRRUBOTL-ZDUSSCGKSA-N 1 2 358.398 2.063 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CCN1C ZINC000450496415 560264216 /nfs/dbraw/zinc/26/42/16/560264216.db2.gz YHHSDSRBFKSNKH-MRXNPFEDSA-N 1 2 352.398 2.370 20 5 FEBDLO CC[C@@]1(CO)CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450805154 560274108 /nfs/dbraw/zinc/27/41/08/560274108.db2.gz OITWZWAXOGPCQP-GOSISDBHSA-N 1 2 358.398 2.405 20 5 FEBDLO CCOC(=O)[C@H](C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450821368 560274760 /nfs/dbraw/zinc/27/47/60/560274760.db2.gz QMXIDXPUAHUSNW-VXGBXAGGSA-N 1 2 360.370 2.098 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC[C@]2(CCOC2)C1 ZINC000450881414 560276638 /nfs/dbraw/zinc/27/66/38/560276638.db2.gz MCCMXVNDSOKJBN-IBGZPJMESA-N 1 2 361.442 2.434 20 5 FEBDLO CCO[C@H]1CC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000451551395 560314333 /nfs/dbraw/zinc/31/43/33/560314333.db2.gz XOVARQIWSFYPSO-WBMJQRKESA-N 1 2 351.403 2.289 20 5 FEBDLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000451551395 560314334 /nfs/dbraw/zinc/31/43/34/560314334.db2.gz XOVARQIWSFYPSO-WBMJQRKESA-N 1 2 351.403 2.289 20 5 FEBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000451931610 560338567 /nfs/dbraw/zinc/33/85/67/560338567.db2.gz LLWBOYWNVLGDFW-CQSZACIVSA-N 1 2 355.460 2.316 20 5 FEBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000451931610 560338568 /nfs/dbraw/zinc/33/85/68/560338568.db2.gz LLWBOYWNVLGDFW-CQSZACIVSA-N 1 2 355.460 2.316 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000451933527 560338760 /nfs/dbraw/zinc/33/87/60/560338760.db2.gz CBNVNASHFUEHDH-AAEUAGOBSA-N 1 2 350.400 2.392 20 5 FEBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000451939299 560339440 /nfs/dbraw/zinc/33/94/40/560339440.db2.gz ZNVHGODTOJRFFR-CQSZACIVSA-N 1 2 355.460 2.316 20 5 FEBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000451939299 560339441 /nfs/dbraw/zinc/33/94/41/560339441.db2.gz ZNVHGODTOJRFFR-CQSZACIVSA-N 1 2 355.460 2.316 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000451949780 560340116 /nfs/dbraw/zinc/34/01/16/560340116.db2.gz YRJATFXVCSRDSH-CMPLNLGQSA-N 1 2 350.400 2.392 20 5 FEBDLO C[C@H]([C@H](C)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000454535117 560448682 /nfs/dbraw/zinc/44/86/82/560448682.db2.gz FKCHGUQYWRXQEX-MELADBBJSA-N 1 2 350.419 2.064 20 5 FEBDLO CCN(CC)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(NC)n2)c[nH+]1 ZINC000454762374 560457190 /nfs/dbraw/zinc/45/71/90/560457190.db2.gz BZJARNHCXPTNGW-UHFFFAOYSA-N 1 2 358.402 2.203 20 5 FEBDLO Cn1c[nH+]c(CCNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC000457852057 560590531 /nfs/dbraw/zinc/59/05/31/560590531.db2.gz IKKXTTGSHFRDSJ-UHFFFAOYSA-N 1 2 372.303 2.242 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000458024026 560599574 /nfs/dbraw/zinc/59/95/74/560599574.db2.gz WSSPPPBYDQMPHY-RHSMWYFYSA-N 1 2 368.393 2.422 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000458484492 560626159 /nfs/dbraw/zinc/62/61/59/560626159.db2.gz BSWQCPSTAHCNNT-CWRNSKLLSA-N 1 2 362.430 2.127 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000458484492 560626160 /nfs/dbraw/zinc/62/61/60/560626160.db2.gz BSWQCPSTAHCNNT-CWRNSKLLSA-N 1 2 362.430 2.127 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCCNc2ccc3ccccc3[nH+]2)c1 ZINC000461467989 560773199 /nfs/dbraw/zinc/77/31/99/560773199.db2.gz FENPQAPQBMLHRK-UHFFFAOYSA-N 1 2 366.377 2.994 20 5 FEBDLO COC(=O)c1cc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc([N+](=O)[O-])c1 ZINC000469433025 560955143 /nfs/dbraw/zinc/95/51/43/560955143.db2.gz ZVBDVFUQVVRLAX-INIZCTEOSA-N 1 2 371.349 2.070 20 5 FEBDLO CCN1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000470148357 560975356 /nfs/dbraw/zinc/97/53/56/560975356.db2.gz KGYYMZUDRWUICW-AWEZNQCLSA-N 1 2 362.365 2.368 20 5 FEBDLO COC(=O)COc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000475127365 561091120 /nfs/dbraw/zinc/09/11/20/561091120.db2.gz FAPSBLRJZKJTDC-AVGNSLFASA-N 1 2 352.387 2.144 20 5 FEBDLO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000475127365 561091121 /nfs/dbraw/zinc/09/11/21/561091121.db2.gz FAPSBLRJZKJTDC-AVGNSLFASA-N 1 2 352.387 2.144 20 5 FEBDLO Cn1nc([N+](=O)[O-])cc1C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000476649240 561125131 /nfs/dbraw/zinc/12/51/31/561125131.db2.gz QZMSSJXNVRCCJD-UHFFFAOYSA-N 1 2 368.397 2.088 20 5 FEBDLO C[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1n1cc[nH+]c1 ZINC000531581249 562450678 /nfs/dbraw/zinc/45/06/78/562450678.db2.gz CQEOUANSZFTCRJ-FZMZJTMJSA-N 1 2 358.354 2.243 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)NCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000532375267 562475607 /nfs/dbraw/zinc/47/56/07/562475607.db2.gz JEOZOONJPWTETK-UHFFFAOYSA-N 1 2 370.818 2.342 20 5 FEBDLO O=C1[C@@H](N2CC[NH+](Cc3ccco3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000533228841 562502233 /nfs/dbraw/zinc/50/22/33/562502233.db2.gz ILEIPQMTHHTPHR-SFHVURJKSA-N 1 2 370.409 2.111 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CCN(Cc3[nH+]ccn3CC(F)(F)F)CC2)cn1 ZINC000535072441 562550364 /nfs/dbraw/zinc/55/03/64/562550364.db2.gz MIUNMZHMBBSHGP-UHFFFAOYSA-N 1 2 370.335 2.071 20 5 FEBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000536514108 562577499 /nfs/dbraw/zinc/57/74/99/562577499.db2.gz UQTVRJASPXXNKO-GFCCVEGCSA-N 1 2 351.366 2.480 20 5 FEBDLO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602689371 568011658 /nfs/dbraw/zinc/01/16/58/568011658.db2.gz GDZJDKRWOGPVPS-MRVPVSSYSA-N 1 2 362.249 2.329 20 5 FEBDLO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602689371 568011659 /nfs/dbraw/zinc/01/16/59/568011659.db2.gz GDZJDKRWOGPVPS-MRVPVSSYSA-N 1 2 362.249 2.329 20 5 FEBDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000603905386 568180901 /nfs/dbraw/zinc/18/09/01/568180901.db2.gz IBKUERWWWJHYOB-UHFFFAOYSA-N 1 2 357.370 2.011 20 5 FEBDLO O=[N+]([O-])c1cnn(CCc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c1 ZINC000584693685 568299432 /nfs/dbraw/zinc/29/94/32/568299432.db2.gz XMYQLSBMJHVABS-UHFFFAOYSA-N 1 2 351.326 2.270 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000570233885 568463966 /nfs/dbraw/zinc/46/39/66/568463966.db2.gz PWHJULYMXYWJQJ-STQMWFEESA-N 1 2 358.398 2.011 20 5 FEBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cc(-c3nn[nH]n3)ccc1F)C2 ZINC000826500142 607943472 /nfs/dbraw/zinc/94/34/72/607943472.db2.gz MOMHBVCAAYJKOZ-UHFFFAOYSA-N 1 2 354.345 2.472 20 5 FEBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cc(-c3nn[nH]n3)ccc1F)C2 ZINC000826500142 607943473 /nfs/dbraw/zinc/94/34/73/607943473.db2.gz MOMHBVCAAYJKOZ-UHFFFAOYSA-N 1 2 354.345 2.472 20 5 FEBDLO C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000813073563 674716682 /nfs/dbraw/zinc/71/66/82/674716682.db2.gz VVVBOYHQBOKARU-PRHODGIISA-N 1 2 362.213 2.351 20 5 FEBDLO C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000813073563 674716685 /nfs/dbraw/zinc/71/66/85/674716685.db2.gz VVVBOYHQBOKARU-PRHODGIISA-N 1 2 362.213 2.351 20 5 FEBDLO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000609765801 675935404 /nfs/dbraw/zinc/93/54/04/675935404.db2.gz VTIWUDODHMHFIE-CHWSQXEVSA-N 1 2 353.444 2.061 20 5 FEBDLO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000609765801 675935406 /nfs/dbraw/zinc/93/54/06/675935406.db2.gz VTIWUDODHMHFIE-CHWSQXEVSA-N 1 2 353.444 2.061 20 5 FEBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587036164 672439979 /nfs/dbraw/zinc/43/99/79/672439979.db2.gz MBUISCGLCRUHBZ-CMPLNLGQSA-N 1 2 364.789 2.343 20 5 FEBDLO O=C1[C@H]([N@@H+]2CCC[C@H](OC(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000611577157 676045461 /nfs/dbraw/zinc/04/54/61/676045461.db2.gz GGFUWUDYTSYAID-UONOGXRCSA-N 1 2 355.341 2.404 20 5 FEBDLO O=C1[C@H]([N@H+]2CCC[C@H](OC(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000611577157 676045462 /nfs/dbraw/zinc/04/54/62/676045462.db2.gz GGFUWUDYTSYAID-UONOGXRCSA-N 1 2 355.341 2.404 20 5 FEBDLO COCCOCCN1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000593118178 672878610 /nfs/dbraw/zinc/87/86/10/672878610.db2.gz SMCDFBXYBMXVMA-INIZCTEOSA-N 1 2 351.447 2.245 20 5 FEBDLO C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594106872 673032047 /nfs/dbraw/zinc/03/20/47/673032047.db2.gz BMEKQYYEYBFCBT-SDDRHHMPSA-N 1 2 355.822 2.476 20 5 FEBDLO C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594106872 673032051 /nfs/dbraw/zinc/03/20/51/673032051.db2.gz BMEKQYYEYBFCBT-SDDRHHMPSA-N 1 2 355.822 2.476 20 5 FEBDLO COc1cc([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])ccc1OCCO ZINC000595413468 673246467 /nfs/dbraw/zinc/24/64/67/673246467.db2.gz CHBFSXRFBBFGSE-JTQLQIEISA-N 1 2 351.359 2.122 20 5 FEBDLO CC[C@H](CO)[NH+]1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596143150 673362697 /nfs/dbraw/zinc/36/26/97/673362697.db2.gz XZOKZKKTLAYUHH-LLVKDONJSA-N 1 2 358.236 2.250 20 5 FEBDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)CO1 ZINC000596454205 673386338 /nfs/dbraw/zinc/38/63/38/673386338.db2.gz PPRCYXKBCUHTRE-GHMZBOCLSA-N 1 2 356.810 2.479 20 5 FEBDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)CO1 ZINC000596454205 673386343 /nfs/dbraw/zinc/38/63/43/673386343.db2.gz PPRCYXKBCUHTRE-GHMZBOCLSA-N 1 2 356.810 2.479 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000596839577 673418928 /nfs/dbraw/zinc/41/89/28/673418928.db2.gz SQFOBYDDAVYBKK-KBPBESRZSA-N 1 2 350.419 2.442 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000596839577 673418929 /nfs/dbraw/zinc/41/89/29/673418929.db2.gz SQFOBYDDAVYBKK-KBPBESRZSA-N 1 2 350.419 2.442 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000596912997 673425279 /nfs/dbraw/zinc/42/52/79/673425279.db2.gz QYGISMXXMBOJMN-CHWSQXEVSA-N 1 2 350.419 2.388 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000596912997 673425280 /nfs/dbraw/zinc/42/52/80/673425280.db2.gz QYGISMXXMBOJMN-CHWSQXEVSA-N 1 2 350.419 2.388 20 5 FEBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597709671 673501355 /nfs/dbraw/zinc/50/13/55/673501355.db2.gz LBJODPLHMZOJBZ-ZDUSSCGKSA-N 1 2 353.806 2.185 20 5 FEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000598608141 673589371 /nfs/dbraw/zinc/58/93/71/673589371.db2.gz SQWBIVFVBPIGEX-QWHCGFSZSA-N 1 2 355.460 2.315 20 5 FEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000598608141 673589375 /nfs/dbraw/zinc/58/93/75/673589375.db2.gz SQWBIVFVBPIGEX-QWHCGFSZSA-N 1 2 355.460 2.315 20 5 FEBDLO Cc1c(Br)cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000598945372 673624061 /nfs/dbraw/zinc/62/40/61/673624061.db2.gz ZYESMSSSNZVEEE-SNVBAGLBSA-N 1 2 365.187 2.217 20 5 FEBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000598949592 673624319 /nfs/dbraw/zinc/62/43/19/673624319.db2.gz WYHGPBYUDSMTRJ-SNVBAGLBSA-N 1 2 365.187 2.299 20 5 FEBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598949302 673624465 /nfs/dbraw/zinc/62/44/65/673624465.db2.gz YATVXHQILNVZQC-SECBINFHSA-N 1 2 365.187 2.217 20 5 FEBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000598950027 673624695 /nfs/dbraw/zinc/62/46/95/673624695.db2.gz ZTQHHAWQZAKXMP-SNVBAGLBSA-N 1 2 352.297 2.138 20 5 FEBDLO CN(CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(F)F ZINC000599095063 673632565 /nfs/dbraw/zinc/63/25/65/673632565.db2.gz PMBHHTNRJDDRAM-OAHLLOKOSA-N 1 2 353.373 2.204 20 5 FEBDLO C[C@@H]1C[NH+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H](C)S1 ZINC000743375068 673757316 /nfs/dbraw/zinc/75/73/16/673757316.db2.gz FVAOMWQUQJLCRO-VXGBXAGGSA-N 1 2 364.427 2.147 20 5 FEBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000601135604 673827988 /nfs/dbraw/zinc/82/79/88/673827988.db2.gz WPAQUERJDFETLS-VIFPVBQESA-N 1 2 356.308 2.433 20 5 FEBDLO CC(C)[C@@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000819904600 675321912 /nfs/dbraw/zinc/32/19/12/675321912.db2.gz AWMOVCXSQXDWGZ-HSMVNMDESA-N 1 2 350.419 2.249 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000762552459 680753765 /nfs/dbraw/zinc/75/37/65/680753765.db2.gz XMKKHQGBIQLDAV-UHFFFAOYSA-N 1 2 373.862 2.487 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[N@@H+]2CC=C(C)CC2)c1 ZINC000762552459 680753766 /nfs/dbraw/zinc/75/37/66/680753766.db2.gz XMKKHQGBIQLDAV-UHFFFAOYSA-N 1 2 373.862 2.487 20 5 FEBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1c[nH+]cn1C ZINC000764663157 680818101 /nfs/dbraw/zinc/81/81/01/680818101.db2.gz MGIOQTMVHHJTNR-UHFFFAOYSA-N 1 2 351.384 2.424 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000832703516 680168191 /nfs/dbraw/zinc/16/81/91/680168191.db2.gz YDQKYOILLPSSFR-UHFFFAOYSA-N 1 2 353.423 2.123 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000832703516 680168197 /nfs/dbraw/zinc/16/81/97/680168197.db2.gz YDQKYOILLPSSFR-UHFFFAOYSA-N 1 2 353.423 2.123 20 5 FEBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000769384757 680980254 /nfs/dbraw/zinc/98/02/54/680980254.db2.gz VYIKEFBDEKOKPV-LLVKDONJSA-N 1 2 359.220 2.331 20 5 FEBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000769384757 680980255 /nfs/dbraw/zinc/98/02/55/680980255.db2.gz VYIKEFBDEKOKPV-LLVKDONJSA-N 1 2 359.220 2.331 20 5 FEBDLO C[C@H](CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)n1cc[nH+]c1 ZINC000845279624 681115727 /nfs/dbraw/zinc/11/57/27/681115727.db2.gz WYUWRFXDXWMZCJ-SNVBAGLBSA-N 1 2 350.306 2.063 20 5 FEBDLO COCCOCC[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2Cl)CC1 ZINC000845765686 681151032 /nfs/dbraw/zinc/15/10/32/681151032.db2.gz BHVOMDFIHJYXMH-UHFFFAOYSA-N 1 2 357.838 2.342 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3ncc(Br)cn3)CCC2)c1 ZINC000933321540 681393890 /nfs/dbraw/zinc/39/38/90/681393890.db2.gz PMTYQXKIULFLIF-UHFFFAOYSA-N 1 2 367.207 2.013 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000933943111 681487700 /nfs/dbraw/zinc/48/77/00/681487700.db2.gz JBBMPYZUPNPQQW-UHFFFAOYSA-N 1 2 367.471 2.500 20 5 FEBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCCc2ccc(Cl)cc2)C1 ZINC000950055706 681670679 /nfs/dbraw/zinc/67/06/79/681670679.db2.gz MJHYDXZYCNDROK-IAGOWNOFSA-N 1 2 365.861 2.471 20 5 FEBDLO Cc1nn(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000779860528 681761149 /nfs/dbraw/zinc/76/11/49/681761149.db2.gz ZYFUYUPNOXLNSW-UHFFFAOYSA-N 1 2 353.423 2.294 20 5 FEBDLO Cc1nn(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000779867394 681762148 /nfs/dbraw/zinc/76/21/48/681762148.db2.gz ICEADPORNOHDHZ-DGCLKSJQSA-N 1 2 353.423 2.292 20 5 FEBDLO Cc1nn(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000779867394 681762154 /nfs/dbraw/zinc/76/21/54/681762154.db2.gz ICEADPORNOHDHZ-DGCLKSJQSA-N 1 2 353.423 2.292 20 5 FEBDLO CCC(CC)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(=O)OC ZINC000782545703 682056278 /nfs/dbraw/zinc/05/62/78/682056278.db2.gz WUVATKLWFHSDGH-UHFFFAOYSA-N 1 2 355.366 2.384 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000785938097 682338355 /nfs/dbraw/zinc/33/83/55/682338355.db2.gz ZPBYLPKRJWNBHW-OKILXGFUSA-N 1 2 354.790 2.197 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000785938097 682338358 /nfs/dbraw/zinc/33/83/58/682338358.db2.gz ZPBYLPKRJWNBHW-OKILXGFUSA-N 1 2 354.790 2.197 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000786789679 682405847 /nfs/dbraw/zinc/40/58/47/682405847.db2.gz PWGTXIUINDRJQD-UHFFFAOYSA-N 1 2 350.400 2.105 20 5 FEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)[C@H](C)C1 ZINC000796070713 683124708 /nfs/dbraw/zinc/12/47/08/683124708.db2.gz OVWZOUPAWGZUMS-LLVKDONJSA-N 1 2 361.851 2.271 20 5 FEBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)[C@H](C)C1 ZINC000796070713 683124710 /nfs/dbraw/zinc/12/47/10/683124710.db2.gz OVWZOUPAWGZUMS-LLVKDONJSA-N 1 2 361.851 2.271 20 5 FEBDLO C[C@]1(CO)C[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C[C@@]1(C)CO ZINC000859832703 683161868 /nfs/dbraw/zinc/16/18/68/683161868.db2.gz ONKRBFHXRFBEHX-GASCZTMLSA-N 1 2 373.247 2.170 20 5 FEBDLO C[C@]1(CO)C[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C[C@@]1(C)CO ZINC000859832703 683161870 /nfs/dbraw/zinc/16/18/70/683161870.db2.gz ONKRBFHXRFBEHX-GASCZTMLSA-N 1 2 373.247 2.170 20 5 FEBDLO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000799582824 683469212 /nfs/dbraw/zinc/46/92/12/683469212.db2.gz TXCSEHHYMISZPL-CYBMUJFWSA-N 1 2 353.423 2.376 20 5 FEBDLO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000799582824 683469217 /nfs/dbraw/zinc/46/92/17/683469217.db2.gz TXCSEHHYMISZPL-CYBMUJFWSA-N 1 2 353.423 2.376 20 5 FEBDLO CO[C@H]1C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])[C@@](C)(CO)C1 ZINC000931471553 684287830 /nfs/dbraw/zinc/28/78/30/684287830.db2.gz SFXAHKOVZFNHJZ-QMTHXVAHSA-N 1 2 359.220 2.329 20 5 FEBDLO CO[C@H]1C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])[C@@](C)(CO)C1 ZINC000931471553 684287834 /nfs/dbraw/zinc/28/78/34/684287834.db2.gz SFXAHKOVZFNHJZ-QMTHXVAHSA-N 1 2 359.220 2.329 20 5 FEBDLO CSC1CC[NH+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000872628848 684992112 /nfs/dbraw/zinc/99/21/12/684992112.db2.gz QBKWRCYSDWWNIZ-MRXNPFEDSA-N 1 2 351.428 2.317 20 5 FEBDLO COc1c(O)ccc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000892138342 689155524 /nfs/dbraw/zinc/15/55/24/689155524.db2.gz IYFGLKRBFPNLKP-AWEZNQCLSA-N 1 2 364.320 2.444 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)ccc1CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC000893245841 689320936 /nfs/dbraw/zinc/32/09/36/689320936.db2.gz IQTHZJSBCSECCF-UHFFFAOYSA-N 1 2 365.821 2.389 20 5 FEBDLO CCCCCNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000008055047 539475750 /nfs/dbraw/zinc/47/57/50/539475750.db2.gz NSMYEOIUXSOFLF-UHFFFAOYSA-N 1 2 370.475 2.133 20 5 FEBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCOc2ccccc2)CC1 ZINC000015765136 539622673 /nfs/dbraw/zinc/62/26/73/539622673.db2.gz FLTXJTUDKAPDOK-UHFFFAOYSA-N 1 2 355.394 2.432 20 5 FEBDLO CN(Cc1ccccc1)C(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016565130 539633196 /nfs/dbraw/zinc/63/31/96/539633196.db2.gz MUPCOLWYMBKWOF-UHFFFAOYSA-N 1 2 368.437 2.375 20 5 FEBDLO Cc1ccc(S(=O)(=O)NCCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000024471603 539732118 /nfs/dbraw/zinc/73/21/18/539732118.db2.gz NDUPZAPLXPMQJU-UHFFFAOYSA-N 1 2 360.395 2.072 20 5 FEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000027768253 539817336 /nfs/dbraw/zinc/81/73/36/539817336.db2.gz RGNOBQREPSGUCE-MRXNPFEDSA-N 1 2 360.458 2.286 20 5 FEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC000027768253 539817344 /nfs/dbraw/zinc/81/73/44/539817344.db2.gz RGNOBQREPSGUCE-MRXNPFEDSA-N 1 2 360.458 2.286 20 5 FEBDLO Cc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)[NH+]2CCOCC2)c1 ZINC000029420654 539853105 /nfs/dbraw/zinc/85/31/05/539853105.db2.gz CCBFUSUSOWZITC-SFHVURJKSA-N 1 2 372.425 2.045 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000029630408 539859161 /nfs/dbraw/zinc/85/91/61/539859161.db2.gz VFSOPCIIMBRDLP-IBGZPJMESA-N 1 2 371.437 2.152 20 5 FEBDLO NC(=O)Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000032238219 539931837 /nfs/dbraw/zinc/93/18/37/539931837.db2.gz AYBKJDUJDZHKHG-UHFFFAOYSA-N 1 2 365.349 2.061 20 5 FEBDLO Cc1cc(C[NH+]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)on1 ZINC000032490995 539941763 /nfs/dbraw/zinc/94/17/63/539941763.db2.gz DEBWGPRMLXWPEE-UHFFFAOYSA-N 1 2 374.397 2.076 20 5 FEBDLO CCOC(=O)c1cc(C(=O)NCc2ccc(N(C)C)[nH+]c2)cc([N+](=O)[O-])c1 ZINC000046386745 540254896 /nfs/dbraw/zinc/25/48/96/540254896.db2.gz BOFYHAQIKVKIPO-UHFFFAOYSA-N 1 2 372.381 2.163 20 5 FEBDLO COc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000046616610 540264034 /nfs/dbraw/zinc/26/40/34/540264034.db2.gz JLNPNQOOZSKZKY-UHFFFAOYSA-N 1 2 356.382 2.397 20 5 FEBDLO Cc1cc(N2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)nc(C(C)C)[nH+]1 ZINC000052754183 540487403 /nfs/dbraw/zinc/48/74/03/540487403.db2.gz FDOUEMRPOVESSX-UHFFFAOYSA-N 1 2 358.402 2.107 20 5 FEBDLO CN(C)c1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c[nH+]1 ZINC000056044021 540696677 /nfs/dbraw/zinc/69/66/77/540696677.db2.gz IPNPKKHIYRQYGC-UHFFFAOYSA-N 1 2 370.818 2.188 20 5 FEBDLO O=[N+]([O-])c1ccc(Nc2ccn(CC[NH+]3CCOCC3)n2)c2ncccc12 ZINC000537833346 540781050 /nfs/dbraw/zinc/78/10/50/540781050.db2.gz BPXYPYKNQLFVIC-UHFFFAOYSA-N 1 2 368.397 2.415 20 5 FEBDLO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1[nH+]ccn1CC(F)(F)F ZINC000057844585 540819190 /nfs/dbraw/zinc/81/91/90/540819190.db2.gz UOISTEXQNLKZSY-UHFFFAOYSA-N 1 2 371.319 2.424 20 5 FEBDLO CC1CCC(NC(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000058754401 540855028 /nfs/dbraw/zinc/85/50/28/540855028.db2.gz UJIHSYNGHXNLNK-UHFFFAOYSA-N 1 2 360.458 2.412 20 5 FEBDLO CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000062062093 541143704 /nfs/dbraw/zinc/14/37/04/541143704.db2.gz OOIZXNAWBZLEKR-UHFFFAOYSA-N 1 2 371.397 2.091 20 5 FEBDLO O=C(NCCNc1cccc[nH+]1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000063466116 541169162 /nfs/dbraw/zinc/16/91/62/541169162.db2.gz FHSCQODEDQZMSD-UHFFFAOYSA-N 1 2 352.354 2.017 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000066327387 541302378 /nfs/dbraw/zinc/30/23/78/541302378.db2.gz YFLPKTPNPPDYMW-CYBMUJFWSA-N 1 2 367.452 2.209 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000066327387 541302380 /nfs/dbraw/zinc/30/23/80/541302380.db2.gz YFLPKTPNPPDYMW-CYBMUJFWSA-N 1 2 367.452 2.209 20 5 FEBDLO COC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000066835048 541377305 /nfs/dbraw/zinc/37/73/05/541377305.db2.gz BWLYJNVBIMYUAC-JTQLQIEISA-N 1 2 355.778 2.072 20 5 FEBDLO COC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000066835048 541377308 /nfs/dbraw/zinc/37/73/08/541377308.db2.gz BWLYJNVBIMYUAC-JTQLQIEISA-N 1 2 355.778 2.072 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000067118181 541419008 /nfs/dbraw/zinc/41/90/08/541419008.db2.gz AQXJPJSLIBXIMZ-HNNXBMFYSA-N 1 2 365.455 2.143 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000067118181 541419010 /nfs/dbraw/zinc/41/90/10/541419010.db2.gz AQXJPJSLIBXIMZ-HNNXBMFYSA-N 1 2 365.455 2.143 20 5 FEBDLO Cn1ncc2c1nc[nH+]c2S[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067429089 541463274 /nfs/dbraw/zinc/46/32/74/541463274.db2.gz PKFALHSKGCTHPG-CYBMUJFWSA-N 1 2 370.394 2.169 20 5 FEBDLO Cc1cccc2[nH+]c(CNC(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)cn21 ZINC000068571414 541610296 /nfs/dbraw/zinc/61/02/96/541610296.db2.gz AMMCQBULMIMLSD-UHFFFAOYSA-N 1 2 350.338 2.357 20 5 FEBDLO CCO[C@H](C)c1noc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000072665067 541847579 /nfs/dbraw/zinc/84/75/79/541847579.db2.gz UDHMBWMXNNNJPC-NEPJUHHUSA-N 1 2 362.390 2.157 20 5 FEBDLO CCO[C@H](C)c1noc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000072665067 541847583 /nfs/dbraw/zinc/84/75/83/541847583.db2.gz UDHMBWMXNNNJPC-NEPJUHHUSA-N 1 2 362.390 2.157 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nc(-c4ccoc4)no3)C2)nc1 ZINC000072665341 541847804 /nfs/dbraw/zinc/84/78/04/541847804.db2.gz ZCFDBJVXDHTLCT-GFCCVEGCSA-N 1 2 356.342 2.319 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3nc(-c4ccoc4)no3)C2)nc1 ZINC000072665341 541847808 /nfs/dbraw/zinc/84/78/08/541847808.db2.gz ZCFDBJVXDHTLCT-GFCCVEGCSA-N 1 2 356.342 2.319 20 5 FEBDLO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccncc2)CC1 ZINC000074763689 542118162 /nfs/dbraw/zinc/11/81/62/542118162.db2.gz HQSSZBMEGCPUPT-UHFFFAOYSA-N 1 2 369.425 2.060 20 5 FEBDLO Cc1cc(N2CCC3(CNC(=O)C3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000075065825 542150082 /nfs/dbraw/zinc/15/00/82/542150082.db2.gz UVBZYZGFGZCOFZ-UHFFFAOYSA-N 1 2 367.409 2.467 20 5 FEBDLO COc1cc(OCC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000075533604 542185467 /nfs/dbraw/zinc/18/54/67/542185467.db2.gz PEJIWXMHPASXKY-GFCCVEGCSA-N 1 2 360.370 2.112 20 5 FEBDLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000076017756 542224929 /nfs/dbraw/zinc/22/49/29/542224929.db2.gz UETSNJJZTFXDAI-UHFFFAOYSA-N 1 2 363.439 2.314 20 5 FEBDLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000076017756 542224934 /nfs/dbraw/zinc/22/49/34/542224934.db2.gz UETSNJJZTFXDAI-UHFFFAOYSA-N 1 2 363.439 2.314 20 5 FEBDLO CC(C)(CNc1ccc([N+](=O)[O-])c2cnccc12)[NH+]1CCS(=O)CC1 ZINC000077210040 542355116 /nfs/dbraw/zinc/35/51/16/542355116.db2.gz YDFNDEHLOJSTEZ-UHFFFAOYSA-N 1 2 362.455 2.398 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCc2cn3ccccc3[nH+]2)c1C ZINC000036656857 208169185 /nfs/dbraw/zinc/16/91/85/208169185.db2.gz IBKGHMOGVQQYAW-UHFFFAOYSA-N 1 2 374.422 2.380 20 5 FEBDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000088595340 542754018 /nfs/dbraw/zinc/75/40/18/542754018.db2.gz UORILALJYFDMCZ-HOTGVXAUSA-N 1 2 360.458 2.284 20 5 FEBDLO C[C@@H](C(=O)N1CCCC1)N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000088595340 542754019 /nfs/dbraw/zinc/75/40/19/542754019.db2.gz UORILALJYFDMCZ-HOTGVXAUSA-N 1 2 360.458 2.284 20 5 FEBDLO Cc1cccn2cc(CNc3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])[nH+]c12 ZINC000091628380 542816488 /nfs/dbraw/zinc/81/64/88/542816488.db2.gz PUPXDXDQQGUFOP-UHFFFAOYSA-N 1 2 350.338 2.400 20 5 FEBDLO Cc1nn(C)c(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000098099034 543020731 /nfs/dbraw/zinc/02/07/31/543020731.db2.gz GDKTZTANDIYXPD-UHFFFAOYSA-N 1 2 372.429 2.342 20 5 FEBDLO COC(=O)c1cc(C(=O)N2CC[N@H+](C)Cc3ccccc32)cc([N+](=O)[O-])c1 ZINC000103411744 543105962 /nfs/dbraw/zinc/10/59/62/543105962.db2.gz RGMMXUIGLPOZEV-UHFFFAOYSA-N 1 2 369.377 2.474 20 5 FEBDLO COC(=O)c1cc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)cc([N+](=O)[O-])c1 ZINC000103411744 543105963 /nfs/dbraw/zinc/10/59/63/543105963.db2.gz RGMMXUIGLPOZEV-UHFFFAOYSA-N 1 2 369.377 2.474 20 5 FEBDLO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H](C)C1 ZINC000115725146 543583237 /nfs/dbraw/zinc/58/32/37/543583237.db2.gz KWLUPQNVAWYQGC-UKRRQHHQSA-N 1 2 365.430 2.167 20 5 FEBDLO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H](C)C1 ZINC000115725146 543583239 /nfs/dbraw/zinc/58/32/39/543583239.db2.gz KWLUPQNVAWYQGC-UKRRQHHQSA-N 1 2 365.430 2.167 20 5 FEBDLO Cc1sc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000122816960 543725540 /nfs/dbraw/zinc/72/55/40/543725540.db2.gz BXFQEUCLNHAODP-NSHDSACASA-N 1 2 359.429 2.139 20 5 FEBDLO C[C@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000124609479 543832592 /nfs/dbraw/zinc/83/25/92/543832592.db2.gz KATSLAODBIZVAQ-YOEHRIQHSA-N 1 2 357.414 2.337 20 5 FEBDLO COCC(=O)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000128680215 544066323 /nfs/dbraw/zinc/06/63/23/544066323.db2.gz XRMLNVNMSHUIPO-UHFFFAOYSA-N 1 2 359.382 2.145 20 5 FEBDLO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000132797562 544244041 /nfs/dbraw/zinc/24/40/41/544244041.db2.gz ZCASJGMKGHYMQE-UHFFFAOYSA-N 1 2 371.393 2.427 20 5 FEBDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000134322857 544303129 /nfs/dbraw/zinc/30/31/29/544303129.db2.gz SABBKSWEYUMHON-LBPRGKRZSA-N 1 2 361.851 2.150 20 5 FEBDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000134322857 544303131 /nfs/dbraw/zinc/30/31/31/544303131.db2.gz SABBKSWEYUMHON-LBPRGKRZSA-N 1 2 361.851 2.150 20 5 FEBDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000134364737 544305025 /nfs/dbraw/zinc/30/50/25/544305025.db2.gz HZFZXRKLIHPOIN-CYBMUJFWSA-N 1 2 361.851 2.150 20 5 FEBDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000134364737 544305026 /nfs/dbraw/zinc/30/50/26/544305026.db2.gz HZFZXRKLIHPOIN-CYBMUJFWSA-N 1 2 361.851 2.150 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCOC4(CCOCC4)C3)o2)cc1 ZINC000135603379 544355333 /nfs/dbraw/zinc/35/53/33/544355333.db2.gz ZWRVUKQVPSZEFD-UHFFFAOYSA-N 1 2 360.370 2.026 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCOC4(CCOCC4)C3)o2)cc1 ZINC000135603379 544355336 /nfs/dbraw/zinc/35/53/36/544355336.db2.gz ZWRVUKQVPSZEFD-UHFFFAOYSA-N 1 2 360.370 2.026 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135527775 544350789 /nfs/dbraw/zinc/35/07/89/544350789.db2.gz MGXIZMBQZQRYJZ-GXTWGEPZSA-N 1 2 351.428 2.048 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135527775 544350790 /nfs/dbraw/zinc/35/07/90/544350790.db2.gz MGXIZMBQZQRYJZ-GXTWGEPZSA-N 1 2 351.428 2.048 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)c2ccc[nH+]c2N(C)C)c1C ZINC000152323409 544639131 /nfs/dbraw/zinc/63/91/31/544639131.db2.gz OJOJGPDTOODJMS-UHFFFAOYSA-N 1 2 364.427 2.498 20 5 FEBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000186861664 327987211 /nfs/dbraw/zinc/98/72/11/327987211.db2.gz UDLPCVQMPWYUCN-CYBMUJFWSA-N 1 2 367.471 2.234 20 5 FEBDLO CC[C@@]1(CO)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000187113458 328002967 /nfs/dbraw/zinc/00/29/67/328002967.db2.gz OLCOGWTVMIYVLU-GOSISDBHSA-N 1 2 358.398 2.405 20 5 FEBDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000188788758 328110759 /nfs/dbraw/zinc/11/07/59/328110759.db2.gz GFPARPPYWSLYQV-WBVHZDCISA-N 1 2 360.366 2.353 20 5 FEBDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000188788758 328110760 /nfs/dbraw/zinc/11/07/60/328110760.db2.gz GFPARPPYWSLYQV-WBVHZDCISA-N 1 2 360.366 2.353 20 5 FEBDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000188919066 328118009 /nfs/dbraw/zinc/11/80/09/328118009.db2.gz BCQFENZHQOJWKA-KRWDZBQOSA-N 1 2 371.441 2.342 20 5 FEBDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000188919066 328118010 /nfs/dbraw/zinc/11/80/10/328118010.db2.gz BCQFENZHQOJWKA-KRWDZBQOSA-N 1 2 371.441 2.342 20 5 FEBDLO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H](O)C(F)(F)F ZINC000189519778 328152545 /nfs/dbraw/zinc/15/25/45/328152545.db2.gz JLHLXKYCTFCFKG-LLVKDONJSA-N 1 2 360.292 2.390 20 5 FEBDLO CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H](O)C(F)(F)F ZINC000189519778 328152547 /nfs/dbraw/zinc/15/25/47/328152547.db2.gz JLHLXKYCTFCFKG-LLVKDONJSA-N 1 2 360.292 2.390 20 5 FEBDLO CCOC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193824375 328397329 /nfs/dbraw/zinc/39/73/29/328397329.db2.gz XQLMCVGCIIFVDP-UHFFFAOYSA-N 1 2 352.347 2.167 20 5 FEBDLO CCOC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193824375 328397330 /nfs/dbraw/zinc/39/73/30/328397330.db2.gz XQLMCVGCIIFVDP-UHFFFAOYSA-N 1 2 352.347 2.167 20 5 FEBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000194013865 328406801 /nfs/dbraw/zinc/40/68/01/328406801.db2.gz SLZWANGBXMRSSS-NSHDSACASA-N 1 2 362.411 2.276 20 5 FEBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000008895977 324363853 /nfs/dbraw/zinc/36/38/53/324363853.db2.gz GMQOXAYOYZBQMM-CYBMUJFWSA-N 1 2 355.441 2.238 20 5 FEBDLO COc1cccc(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000195366543 328474344 /nfs/dbraw/zinc/47/43/44/328474344.db2.gz CATNJNDZZCFSKI-AWEZNQCLSA-N 1 2 365.430 2.080 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000080908025 325146369 /nfs/dbraw/zinc/14/63/69/325146369.db2.gz GFIXNFMODLNBIA-CYBMUJFWSA-N 1 2 353.806 2.185 20 5 FEBDLO COc1cc(OCC(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000101862026 325482029 /nfs/dbraw/zinc/48/20/29/325482029.db2.gz GKBWRDKTDNOCNU-UHFFFAOYSA-N 1 2 360.370 2.042 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000105358513 325565954 /nfs/dbraw/zinc/56/59/54/325565954.db2.gz PSNXKRLQKCGCBX-UHFFFAOYSA-N 1 2 369.425 2.055 20 5 FEBDLO CCOCC[NH+]1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000110919305 325696294 /nfs/dbraw/zinc/69/62/94/325696294.db2.gz BKIMIRBMWXEAQH-AWEZNQCLSA-N 1 2 367.471 2.256 20 5 FEBDLO O=C([C@@H]1CCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-])N1CCOCC1 ZINC000118956883 326112846 /nfs/dbraw/zinc/11/28/46/326112846.db2.gz SGPKGAAGCFUVJN-INIZCTEOSA-N 1 2 367.833 2.462 20 5 FEBDLO O=C([C@@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-])N1CCOCC1 ZINC000118956883 326112847 /nfs/dbraw/zinc/11/28/47/326112847.db2.gz SGPKGAAGCFUVJN-INIZCTEOSA-N 1 2 367.833 2.462 20 5 FEBDLO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000118979474 326115177 /nfs/dbraw/zinc/11/51/77/326115177.db2.gz WUNPYNGBOVRYLA-CYBMUJFWSA-N 1 2 371.353 2.215 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](OCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000119798071 326199324 /nfs/dbraw/zinc/19/93/24/326199324.db2.gz DSFRZBIDDCHVMK-CQSZACIVSA-N 1 2 351.403 2.289 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](OCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000119798071 326199326 /nfs/dbraw/zinc/19/93/26/326199326.db2.gz DSFRZBIDDCHVMK-CQSZACIVSA-N 1 2 351.403 2.289 20 5 FEBDLO Cc1cc[nH+]c(N2CCN(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000119916547 326211905 /nfs/dbraw/zinc/21/19/05/326211905.db2.gz DAECGLNBAMNSDA-UHFFFAOYSA-N 1 2 369.425 2.367 20 5 FEBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)n1 ZINC000120295368 326247217 /nfs/dbraw/zinc/24/72/17/326247217.db2.gz JRGFOOKMXVDONN-AWEZNQCLSA-N 1 2 353.386 2.414 20 5 FEBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)n1 ZINC000120295368 326247218 /nfs/dbraw/zinc/24/72/18/326247218.db2.gz JRGFOOKMXVDONN-AWEZNQCLSA-N 1 2 353.386 2.414 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)c1C ZINC000120659799 326276891 /nfs/dbraw/zinc/27/68/91/326276891.db2.gz SNGJZQJOIWKXSU-UHFFFAOYSA-N 1 2 364.427 2.434 20 5 FEBDLO NC(=O)CC1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000123004390 326416948 /nfs/dbraw/zinc/41/69/48/326416948.db2.gz PTSULVOVUVAWBG-UHFFFAOYSA-N 1 2 356.220 2.445 20 5 FEBDLO O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000125923946 326480093 /nfs/dbraw/zinc/48/00/93/326480093.db2.gz BXYNNLNNFTUCAX-OAHLLOKOSA-N 1 2 355.398 2.458 20 5 FEBDLO O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000125924146 326480095 /nfs/dbraw/zinc/48/00/95/326480095.db2.gz BXYNNLNNFTUCAX-HNNXBMFYSA-N 1 2 355.398 2.458 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000126072475 326482582 /nfs/dbraw/zinc/48/25/82/326482582.db2.gz ZFHIJQXDGPXJOX-LBPRGKRZSA-N 1 2 366.399 2.242 20 5 FEBDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)no1 ZINC000129038381 326533883 /nfs/dbraw/zinc/53/38/83/326533883.db2.gz RPDPKDLIAAWSTR-UHFFFAOYSA-N 1 2 367.793 2.358 20 5 FEBDLO C[NH+](C)[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccco1 ZINC000129077807 326534368 /nfs/dbraw/zinc/53/43/68/326534368.db2.gz NAJLFBSMLJBCDB-SNVBAGLBSA-N 1 2 359.429 2.368 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000151260770 326678131 /nfs/dbraw/zinc/67/81/31/326678131.db2.gz OSRRHKLKQLVYCI-SWLSCSKDSA-N 1 2 364.427 2.372 20 5 FEBDLO C[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)Cn1cc[nH+]c1 ZINC000153431499 326732695 /nfs/dbraw/zinc/73/26/95/326732695.db2.gz ZHLCOIGQGMVBMR-ZDUSSCGKSA-N 1 2 354.370 2.043 20 5 FEBDLO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000161579566 327003479 /nfs/dbraw/zinc/00/34/79/327003479.db2.gz SVXZEPSHVACNAD-UHFFFAOYSA-N 1 2 351.366 2.434 20 5 FEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)Cc1[nH+]ccn1C ZINC000162010270 327014569 /nfs/dbraw/zinc/01/45/69/327014569.db2.gz CTVIXUHKEWHMKL-SNVBAGLBSA-N 1 2 351.794 2.441 20 5 FEBDLO Cc1c(Br)cc(C(=O)NCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000163881920 327060540 /nfs/dbraw/zinc/06/05/40/327060540.db2.gz AAXKTWPCPOJFNY-UHFFFAOYSA-N 1 2 353.176 2.292 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)c1 ZINC000172803588 327219939 /nfs/dbraw/zinc/21/99/39/327219939.db2.gz DAEISPPREAGPEQ-AWEZNQCLSA-N 1 2 370.409 2.453 20 5 FEBDLO CCc1nsc(N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000174324220 327319797 /nfs/dbraw/zinc/31/97/97/327319797.db2.gz UOCUPCXCQGPXDY-UHFFFAOYSA-N 1 2 363.443 2.210 20 5 FEBDLO O=C(c1ccccc1O)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000174607247 327338057 /nfs/dbraw/zinc/33/80/57/327338057.db2.gz XUPRTQVGXVABOB-UHFFFAOYSA-N 1 2 371.393 2.137 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000175063014 327371702 /nfs/dbraw/zinc/37/17/02/327371702.db2.gz CEZOPFUFSBIJMZ-AWEZNQCLSA-N 1 2 367.427 2.386 20 5 FEBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000175322036 327386955 /nfs/dbraw/zinc/38/69/55/327386955.db2.gz ZRFQJBZIUOZIMR-UHFFFAOYSA-N 1 2 365.349 2.149 20 5 FEBDLO CC(C)[NH+]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000264677894 329047370 /nfs/dbraw/zinc/04/73/70/329047370.db2.gz WFDXYXDYDPFNHA-UHFFFAOYSA-N 1 2 363.386 2.122 20 5 FEBDLO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1c(F)cccc1F ZINC000265180143 329099397 /nfs/dbraw/zinc/09/93/97/329099397.db2.gz ISNHOASIDVHIKG-ZDUSSCGKSA-N 1 2 365.340 2.082 20 5 FEBDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc43)CC2)S1 ZINC000266683868 329249200 /nfs/dbraw/zinc/24/92/00/329249200.db2.gz MFRVALIMNGTCDD-LLVKDONJSA-N 1 2 373.438 2.325 20 5 FEBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000272386003 329776527 /nfs/dbraw/zinc/77/65/27/329776527.db2.gz CDXKRVAOCQISTR-STQMWFEESA-N 1 2 373.413 2.190 20 5 FEBDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)S1 ZINC000273480018 329868138 /nfs/dbraw/zinc/86/81/38/329868138.db2.gz QJBUTSBVTJDOOC-SNVBAGLBSA-N 1 2 367.406 2.375 20 5 FEBDLO Cc1ccc(NC(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000275486428 330054239 /nfs/dbraw/zinc/05/42/39/330054239.db2.gz ISDDJRSJIYVSEK-INIZCTEOSA-N 1 2 362.430 2.478 20 5 FEBDLO Cc1ccc(NC(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000275486428 330054240 /nfs/dbraw/zinc/05/42/40/330054240.db2.gz ISDDJRSJIYVSEK-INIZCTEOSA-N 1 2 362.430 2.478 20 5 FEBDLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000275796783 330090126 /nfs/dbraw/zinc/09/01/26/330090126.db2.gz JNDVBEQKLAEWPS-JTQLQIEISA-N 1 2 373.251 2.034 20 5 FEBDLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000275796783 330090127 /nfs/dbraw/zinc/09/01/27/330090127.db2.gz JNDVBEQKLAEWPS-JTQLQIEISA-N 1 2 373.251 2.034 20 5 FEBDLO CN(C(=O)C[N@@H+]1CCCN(CC(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000155859967 545576768 /nfs/dbraw/zinc/57/67/68/545576768.db2.gz JXDFTZKQWASAIO-UHFFFAOYSA-N 1 2 374.363 2.128 20 5 FEBDLO CN(C(=O)C[N@H+]1CCCN(CC(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000155859967 545576772 /nfs/dbraw/zinc/57/67/72/545576772.db2.gz JXDFTZKQWASAIO-UHFFFAOYSA-N 1 2 374.363 2.128 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C2 ZINC000156478070 545628954 /nfs/dbraw/zinc/62/89/54/545628954.db2.gz XNDISBZINMKIGN-NSHDSACASA-N 1 2 359.342 2.061 20 5 FEBDLO CCOCCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000157718386 545774007 /nfs/dbraw/zinc/77/40/07/545774007.db2.gz NMIDYLKZKCMZJT-CABCVRRESA-N 1 2 365.430 2.358 20 5 FEBDLO CCOCCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000157718386 545774012 /nfs/dbraw/zinc/77/40/12/545774012.db2.gz NMIDYLKZKCMZJT-CABCVRRESA-N 1 2 365.430 2.358 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOc3cc[nH+]cc32)c(Cl)c1 ZINC000175664722 546330479 /nfs/dbraw/zinc/33/04/79/546330479.db2.gz FPIKTZPSQLDNNL-UHFFFAOYSA-N 1 2 355.759 2.231 20 5 FEBDLO CCN1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000480328381 561207249 /nfs/dbraw/zinc/20/72/49/561207249.db2.gz QSSNDNJNVZTKHT-OAHLLOKOSA-N 1 2 373.413 2.154 20 5 FEBDLO CCN1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000480328380 561207332 /nfs/dbraw/zinc/20/73/32/561207332.db2.gz QSSNDNJNVZTKHT-HNNXBMFYSA-N 1 2 373.413 2.154 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000177082715 546541668 /nfs/dbraw/zinc/54/16/68/546541668.db2.gz UNHSCQJJVWSEMR-BLLLJJGKSA-N 1 2 364.427 2.372 20 5 FEBDLO Cc1cn2cc(NC(=O)C(=O)NCc3cccc([N+](=O)[O-])c3C)ccc2[nH+]1 ZINC000483822059 561284637 /nfs/dbraw/zinc/28/46/37/561284637.db2.gz QZBIDQAKGRHTQP-UHFFFAOYSA-N 1 2 367.365 2.114 20 5 FEBDLO O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)Nc1ccncc1[N+](=O)[O-] ZINC000183614646 547689784 /nfs/dbraw/zinc/68/97/84/547689784.db2.gz YZNWTOOAYRCIJJ-INIZCTEOSA-N 1 2 371.397 2.185 20 5 FEBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N)c2)CC1 ZINC000184318128 547807168 /nfs/dbraw/zinc/80/71/68/547807168.db2.gz WNRLEOUCNIEXDU-UHFFFAOYSA-N 1 2 369.425 2.177 20 5 FEBDLO COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)[NH+](C)C)c1 ZINC000184606761 547853718 /nfs/dbraw/zinc/85/37/18/547853718.db2.gz IJIRWFGMRKISAE-MRXNPFEDSA-N 1 2 359.382 2.342 20 5 FEBDLO C[C@H](C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185368072 547976782 /nfs/dbraw/zinc/97/67/82/547976782.db2.gz ZILHMPLEYNBTNO-GDZNZVCISA-N 1 2 365.405 2.017 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000485764113 561327451 /nfs/dbraw/zinc/32/74/51/561327451.db2.gz FKYBWVROLOARQO-UHFFFAOYSA-N 1 2 361.423 2.107 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000192484271 548364527 /nfs/dbraw/zinc/36/45/27/548364527.db2.gz NYEXOPJCZHCVBP-CQSZACIVSA-N 1 2 370.409 2.453 20 5 FEBDLO Cc1cc(NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000193652239 548393049 /nfs/dbraw/zinc/39/30/49/548393049.db2.gz ORYMHLYAHGTOCG-UHFFFAOYSA-N 1 2 371.397 2.457 20 5 FEBDLO O=C(CCOc1ccccc1[N+](=O)[O-])NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000194989029 548559998 /nfs/dbraw/zinc/55/99/98/548559998.db2.gz NUHUJKQEMDXVIC-UHFFFAOYSA-N 1 2 367.365 2.261 20 5 FEBDLO COC(=O)c1cc(NC(=O)NCCNc2cccc[nH+]2)c(C)c([N+](=O)[O-])c1 ZINC000486864346 561358531 /nfs/dbraw/zinc/35/85/31/561358531.db2.gz FCSMDTVPOCQVMI-UHFFFAOYSA-N 1 2 373.369 2.318 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C)c3[nH+]cccc32)cc1C ZINC000487104313 561363821 /nfs/dbraw/zinc/36/38/21/561363821.db2.gz ZPAJTALRNQWWPS-UHFFFAOYSA-N 1 2 362.411 2.252 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245441349 548922053 /nfs/dbraw/zinc/92/20/53/548922053.db2.gz VIBIIAZLMNMNPK-GDBMZVCRSA-N 1 2 356.444 2.391 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245441349 548922056 /nfs/dbraw/zinc/92/20/56/548922056.db2.gz VIBIIAZLMNMNPK-GDBMZVCRSA-N 1 2 356.444 2.391 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(Oc4cnccn4)CC3)nc2c1 ZINC000488739191 561395734 /nfs/dbraw/zinc/39/57/34/561395734.db2.gz WBOAUIGOYGYSLE-UHFFFAOYSA-N 1 2 354.370 2.305 20 5 FEBDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn(C)c1=O ZINC000489173812 561404912 /nfs/dbraw/zinc/40/49/12/561404912.db2.gz ZBNDRWSOBGPJGS-UHFFFAOYSA-N 1 2 353.338 2.040 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000248461935 549444979 /nfs/dbraw/zinc/44/49/79/549444979.db2.gz PKDQUVIUTWQKSF-APWZRJJASA-N 1 2 358.394 2.408 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000248461935 549444985 /nfs/dbraw/zinc/44/49/85/549444985.db2.gz PKDQUVIUTWQKSF-APWZRJJASA-N 1 2 358.394 2.408 20 5 FEBDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000270701542 550298269 /nfs/dbraw/zinc/29/82/69/550298269.db2.gz MIFNEPRYTISDPG-DOMZBBRYSA-N 1 2 350.325 2.376 20 5 FEBDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000270701542 550298271 /nfs/dbraw/zinc/29/82/71/550298271.db2.gz MIFNEPRYTISDPG-DOMZBBRYSA-N 1 2 350.325 2.376 20 5 FEBDLO CCOC(=O)CCCNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270925498 550321743 /nfs/dbraw/zinc/32/17/43/550321743.db2.gz SMIKJGMNJUWLKA-UHFFFAOYSA-N 1 2 363.414 2.019 20 5 FEBDLO CCOC(=O)CCCNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270925498 550321744 /nfs/dbraw/zinc/32/17/44/550321744.db2.gz SMIKJGMNJUWLKA-UHFFFAOYSA-N 1 2 363.414 2.019 20 5 FEBDLO CCOC(=O)C1(O)CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000271221430 550354932 /nfs/dbraw/zinc/35/49/32/550354932.db2.gz ZLJVEQSLNQXTCW-UHFFFAOYSA-N 1 2 374.340 2.086 20 5 FEBDLO CN(C)c1ccc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c[nH+]1 ZINC000271319350 550364490 /nfs/dbraw/zinc/36/44/90/550364490.db2.gz UGGZIHRNEQTHJO-UHFFFAOYSA-N 1 2 356.429 2.133 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000494410799 561469267 /nfs/dbraw/zinc/46/92/67/561469267.db2.gz HIAZGXBBMXOBEV-HNNXBMFYSA-N 1 2 355.460 2.172 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000494410799 561469268 /nfs/dbraw/zinc/46/92/68/561469268.db2.gz HIAZGXBBMXOBEV-HNNXBMFYSA-N 1 2 355.460 2.172 20 5 FEBDLO CC(C)C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000278141899 550753609 /nfs/dbraw/zinc/75/36/09/550753609.db2.gz AZXAKFGTNWBPDU-UHFFFAOYSA-N 1 2 350.375 2.240 20 5 FEBDLO CCc1cc(N)nc(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[nH+]1 ZINC000279124323 550856625 /nfs/dbraw/zinc/85/66/25/550856625.db2.gz UYFFZVXBFLTTJC-UHFFFAOYSA-N 1 2 363.399 2.269 20 5 FEBDLO CN(C)c1cc(F)c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000279315687 550876691 /nfs/dbraw/zinc/87/66/91/550876691.db2.gz FNBUPPCUGVQBRP-LBPRGKRZSA-N 1 2 373.388 2.204 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000279332219 550878540 /nfs/dbraw/zinc/87/85/40/550878540.db2.gz PMYYHMJLTBLTBY-CYBMUJFWSA-N 1 2 367.421 2.191 20 5 FEBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C[C@@H](C)O2 ZINC000279986515 550949771 /nfs/dbraw/zinc/94/97/71/550949771.db2.gz ZVPWGZFLIDOEPN-SNUQEOBHSA-N 1 2 374.397 2.413 20 5 FEBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C[C@@H](C)O2 ZINC000279986515 550949773 /nfs/dbraw/zinc/94/97/73/550949773.db2.gz ZVPWGZFLIDOEPN-SNUQEOBHSA-N 1 2 374.397 2.413 20 5 FEBDLO C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000280409063 550990791 /nfs/dbraw/zinc/99/07/91/550990791.db2.gz HEWATMWLCJUICT-GHMZBOCLSA-N 1 2 373.812 2.155 20 5 FEBDLO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000280852804 551039184 /nfs/dbraw/zinc/03/91/84/551039184.db2.gz WFMXYODBLLSNNP-UHFFFAOYSA-N 1 2 371.393 2.427 20 5 FEBDLO CC(C)[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[NH+]1CCOCC1 ZINC000280916578 551045491 /nfs/dbraw/zinc/04/54/91/551045491.db2.gz FMTBFXRUPHJJKM-HNNXBMFYSA-N 1 2 361.402 2.012 20 5 FEBDLO Cn1ccnc1[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000281912578 551156927 /nfs/dbraw/zinc/15/69/27/551156927.db2.gz YIPXLPMJAWIPOK-ODCWNRFASA-N 1 2 362.455 2.309 20 5 FEBDLO Cc1cc(N2CCN3C(=O)CC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000497558090 561503724 /nfs/dbraw/zinc/50/37/24/561503724.db2.gz JINFKLDLJUQTIE-OAHLLOKOSA-N 1 2 353.382 2.171 20 5 FEBDLO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCCF ZINC000282707254 551261845 /nfs/dbraw/zinc/26/18/45/551261845.db2.gz PIFIUIMWFAWQBK-SNVBAGLBSA-N 1 2 352.391 2.282 20 5 FEBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000282761989 551267656 /nfs/dbraw/zinc/26/76/56/551267656.db2.gz NHWAVPYUBQJVRB-MRXNPFEDSA-N 1 2 369.425 2.453 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000284382203 551537190 /nfs/dbraw/zinc/53/71/90/551537190.db2.gz FNYPIGNWPSNKRF-HOTGVXAUSA-N 1 2 354.428 2.012 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000284382203 551537194 /nfs/dbraw/zinc/53/71/94/551537194.db2.gz FNYPIGNWPSNKRF-HOTGVXAUSA-N 1 2 354.428 2.012 20 5 FEBDLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285502628 551766346 /nfs/dbraw/zinc/76/63/46/551766346.db2.gz NHBBUEWVIWIQSK-CYBMUJFWSA-N 1 2 364.402 2.086 20 5 FEBDLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285502628 551766347 /nfs/dbraw/zinc/76/63/47/551766347.db2.gz NHBBUEWVIWIQSK-CYBMUJFWSA-N 1 2 364.402 2.086 20 5 FEBDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000286711859 551917472 /nfs/dbraw/zinc/91/74/72/551917472.db2.gz FRKUZFKFNSYBBZ-CQSZACIVSA-N 1 2 365.386 2.172 20 5 FEBDLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000286711859 551917474 /nfs/dbraw/zinc/91/74/74/551917474.db2.gz FRKUZFKFNSYBBZ-CQSZACIVSA-N 1 2 365.386 2.172 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000287564860 552019712 /nfs/dbraw/zinc/01/97/12/552019712.db2.gz WWNKUQFBDHFSIZ-AAEUAGOBSA-N 1 2 353.806 2.183 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287616829 552025753 /nfs/dbraw/zinc/02/57/53/552025753.db2.gz YYWGLYSAZQCMLN-TZMCWYRMSA-N 1 2 367.833 2.492 20 5 FEBDLO Cc1cc[nH+]cc1N1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000500659460 561578812 /nfs/dbraw/zinc/57/88/12/561578812.db2.gz ZSZGVQBWGOBFIZ-UHFFFAOYSA-N 1 2 354.410 2.498 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000290789729 552538458 /nfs/dbraw/zinc/53/84/58/552538458.db2.gz MIPLEXJKMYVBDQ-UHFFFAOYSA-N 1 2 371.397 2.156 20 5 FEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000291031477 552578585 /nfs/dbraw/zinc/57/85/85/552578585.db2.gz WDGMOEJWPGZNJY-IUODEOHRSA-N 1 2 369.368 2.008 20 5 FEBDLO CC(C)([NH2+]Cc1nnnn1CC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000292239937 552707669 /nfs/dbraw/zinc/70/76/69/552707669.db2.gz WPORHMMVYYQNPC-UHFFFAOYSA-N 1 2 360.418 2.033 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294397524 552902768 /nfs/dbraw/zinc/90/27/68/552902768.db2.gz IFOZOJHDCPFUPX-SNVBAGLBSA-N 1 2 361.320 2.064 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295297292 552983475 /nfs/dbraw/zinc/98/34/75/552983475.db2.gz NWIRWABXWSLKIT-ZDUSSCGKSA-N 1 2 350.400 2.100 20 5 FEBDLO CN(C)c1cc(F)c(C(=O)NCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000295302661 552984123 /nfs/dbraw/zinc/98/41/23/552984123.db2.gz RFKUVUIKGGVMFP-UHFFFAOYSA-N 1 2 361.377 2.427 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1N(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295845104 553066731 /nfs/dbraw/zinc/06/67/31/553066731.db2.gz IHUFZASXGWDWOI-BBRMVZONSA-N 1 2 360.414 2.151 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295847015 553067435 /nfs/dbraw/zinc/06/74/35/553067435.db2.gz IHUFZASXGWDWOI-CZUORRHYSA-N 1 2 360.414 2.151 20 5 FEBDLO O=[N+]([O-])c1cccnc1N1CCN(Cc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000295993066 553085884 /nfs/dbraw/zinc/08/58/84/553085884.db2.gz LAOYRMGRWAWZFO-UHFFFAOYSA-N 1 2 370.335 2.071 20 5 FEBDLO CCOC(=O)c1ccnc(N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000296339697 553144092 /nfs/dbraw/zinc/14/40/92/553144092.db2.gz QDNBJFKGHBTWAZ-CYBMUJFWSA-N 1 2 359.386 2.488 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](OC(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000296563642 553180256 /nfs/dbraw/zinc/18/02/56/553180256.db2.gz CQOHGQOMKDTBMK-OLZOCXBDSA-N 1 2 364.402 2.003 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](OC(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000296563642 553180257 /nfs/dbraw/zinc/18/02/57/553180257.db2.gz CQOHGQOMKDTBMK-OLZOCXBDSA-N 1 2 364.402 2.003 20 5 FEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000298050794 553377316 /nfs/dbraw/zinc/37/73/16/553377316.db2.gz ISMOXDARKYTJSJ-UHFFFAOYSA-N 1 2 366.315 2.029 20 5 FEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H](O)c2ccccc2Cl)CC1 ZINC000298187102 553395968 /nfs/dbraw/zinc/39/59/68/553395968.db2.gz WKWCPFLSQMVMSF-MRXNPFEDSA-N 1 2 362.817 2.499 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000298494322 553432290 /nfs/dbraw/zinc/43/22/90/553432290.db2.gz JRROSVIMWMPIQL-LBPRGKRZSA-N 1 2 373.356 2.288 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC[C@@H]1CC(F)F ZINC000298494322 553432292 /nfs/dbraw/zinc/43/22/92/553432292.db2.gz JRROSVIMWMPIQL-LBPRGKRZSA-N 1 2 373.356 2.288 20 5 FEBDLO CC1CCN(c2ccc(CNc3ncc([N+](=O)[O-])cc3C(N)=O)c[nH+]2)CC1 ZINC000298742337 553466641 /nfs/dbraw/zinc/46/66/41/553466641.db2.gz XWSIUOBMWMAJOW-UHFFFAOYSA-N 1 2 370.413 2.332 20 5 FEBDLO Cc1noc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000298787688 553473167 /nfs/dbraw/zinc/47/31/67/553473167.db2.gz PUNQKKVAPPQOKT-DGCLKSJQSA-N 1 2 359.386 2.493 20 5 FEBDLO Cc1noc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000298787688 553473169 /nfs/dbraw/zinc/47/31/69/553473169.db2.gz PUNQKKVAPPQOKT-DGCLKSJQSA-N 1 2 359.386 2.493 20 5 FEBDLO CC[C@H](C)[C@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(=O)OC ZINC000298829676 553478354 /nfs/dbraw/zinc/47/83/54/553478354.db2.gz GZWKRQSNVFFFBV-ZBEGNZNMSA-N 1 2 367.402 2.109 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299440170 553563407 /nfs/dbraw/zinc/56/34/07/553563407.db2.gz YFMZVHRHVXUHFG-UHFFFAOYSA-N 1 2 371.397 2.279 20 5 FEBDLO O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)NC1CC1 ZINC000301069537 553618942 /nfs/dbraw/zinc/61/89/42/553618942.db2.gz LQAXFGNDZBTRFT-UHFFFAOYSA-N 1 2 372.347 2.014 20 5 FEBDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000301215513 553631857 /nfs/dbraw/zinc/63/18/57/553631857.db2.gz XNUULRRYNRMBHF-ZDUSSCGKSA-N 1 2 364.421 2.303 20 5 FEBDLO Nc1nc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)ncc1[N+](=O)[O-] ZINC000301262036 553636961 /nfs/dbraw/zinc/63/69/61/553636961.db2.gz OTGATRZVOCDAMT-JTQLQIEISA-N 1 2 364.356 2.322 20 5 FEBDLO Nc1nc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)ncc1[N+](=O)[O-] ZINC000301262036 553636962 /nfs/dbraw/zinc/63/69/62/553636962.db2.gz OTGATRZVOCDAMT-JTQLQIEISA-N 1 2 364.356 2.322 20 5 FEBDLO CCOC(=O)c1cc(N2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000301594592 553664387 /nfs/dbraw/zinc/66/43/87/553664387.db2.gz VKETUBSJIOKBME-UHFFFAOYSA-N 1 2 356.382 2.493 20 5 FEBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000505516758 561672712 /nfs/dbraw/zinc/67/27/12/561672712.db2.gz QKWPRRKRNDDKOL-HNNXBMFYSA-N 1 2 351.366 2.258 20 5 FEBDLO CO[C@H]1C[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[N@H+](C)C1 ZINC000330583134 554141584 /nfs/dbraw/zinc/14/15/84/554141584.db2.gz SQXUJHXVSLQLTN-RYUDHWBXSA-N 1 2 358.192 2.015 20 5 FEBDLO CO[C@H]1C[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[N@@H+](C)C1 ZINC000330583134 554141586 /nfs/dbraw/zinc/14/15/86/554141586.db2.gz SQXUJHXVSLQLTN-RYUDHWBXSA-N 1 2 358.192 2.015 20 5 FEBDLO Cc1c(NC(=O)CC[N@@H+]2CC[S@@](=O)CC2(C)C)cccc1[N+](=O)[O-] ZINC000330998274 554199038 /nfs/dbraw/zinc/19/90/38/554199038.db2.gz JDGQXSJOJUEKKA-XMMPIXPASA-N 1 2 353.444 2.075 20 5 FEBDLO Cc1c(NC(=O)CC[N@H+]2CC[S@@](=O)CC2(C)C)cccc1[N+](=O)[O-] ZINC000330998274 554199041 /nfs/dbraw/zinc/19/90/41/554199041.db2.gz JDGQXSJOJUEKKA-XMMPIXPASA-N 1 2 353.444 2.075 20 5 FEBDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000331614962 554295060 /nfs/dbraw/zinc/29/50/60/554295060.db2.gz FYMUUVPVQFGCIL-CYBMUJFWSA-N 1 2 366.487 2.221 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000331629216 554298224 /nfs/dbraw/zinc/29/82/24/554298224.db2.gz HRVOWQJTJDFCHV-AWEZNQCLSA-N 1 2 367.471 2.355 20 5 FEBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000509151210 561787186 /nfs/dbraw/zinc/78/71/86/561787186.db2.gz JVCORZFEHBWKQA-GASCZTMLSA-N 1 2 363.458 2.440 20 5 FEBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000509151210 561787187 /nfs/dbraw/zinc/78/71/87/561787187.db2.gz JVCORZFEHBWKQA-GASCZTMLSA-N 1 2 363.458 2.440 20 5 FEBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000509480019 561801201 /nfs/dbraw/zinc/80/12/01/561801201.db2.gz OVHWQXCAQWYKRQ-KRWDZBQOSA-N 1 2 371.441 2.415 20 5 FEBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000509480019 561801203 /nfs/dbraw/zinc/80/12/03/561801203.db2.gz OVHWQXCAQWYKRQ-KRWDZBQOSA-N 1 2 371.441 2.415 20 5 FEBDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000331995329 554360446 /nfs/dbraw/zinc/36/04/46/554360446.db2.gz XLPSBUGZPQCYQK-HNNXBMFYSA-N 1 2 360.458 2.160 20 5 FEBDLO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000331995329 554360449 /nfs/dbraw/zinc/36/04/49/554360449.db2.gz XLPSBUGZPQCYQK-HNNXBMFYSA-N 1 2 360.458 2.160 20 5 FEBDLO Cc1nc([N+](=O)[O-])c(-c2noc(Cn3c(C)[nH+]c4ccccc43)n2)n1C ZINC000350916805 554822415 /nfs/dbraw/zinc/82/24/15/554822415.db2.gz QZYUZSDSSOGHOX-UHFFFAOYSA-N 1 2 353.342 2.393 20 5 FEBDLO CCc1nc(C[NH+]2C[C@@H]3CN(c4ccc([N+](=O)[O-])cc4F)C[C@H]3C2)no1 ZINC000361771159 554933603 /nfs/dbraw/zinc/93/36/03/554933603.db2.gz YNSULIGFADTCGH-VXGBXAGGSA-N 1 2 361.377 2.248 20 5 FEBDLO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CCN(c2cccc[nH+]2)CC1 ZINC000363202974 555052376 /nfs/dbraw/zinc/05/23/76/555052376.db2.gz AZALSTWFAWMNNW-UHFFFAOYSA-N 1 2 373.388 2.452 20 5 FEBDLO Cc1[nH]c(-c2cccc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)c2)[nH+]c1C ZINC000365080673 555480462 /nfs/dbraw/zinc/48/04/62/555480462.db2.gz AQHOLRJYVBPBAM-UHFFFAOYSA-N 1 2 367.365 2.402 20 5 FEBDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c1 ZINC000365202462 555510007 /nfs/dbraw/zinc/51/00/07/555510007.db2.gz QHDLJDCMGWMEDE-UHFFFAOYSA-N 1 2 353.338 2.026 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000365850124 555683005 /nfs/dbraw/zinc/68/30/05/555683005.db2.gz RSUTVDYXNSGVLT-QLJPJBMISA-N 1 2 353.806 2.422 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000365850124 555683009 /nfs/dbraw/zinc/68/30/09/555683009.db2.gz RSUTVDYXNSGVLT-QLJPJBMISA-N 1 2 353.806 2.422 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCn2c(nnc2-c2cccnc2)C1 ZINC000366625701 555894222 /nfs/dbraw/zinc/89/42/22/555894222.db2.gz KOFXQNKPXXLDKI-UHFFFAOYSA-N 1 2 366.381 2.273 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCn2c(nnc2-c2cccnc2)C1 ZINC000366625701 555894224 /nfs/dbraw/zinc/89/42/24/555894224.db2.gz KOFXQNKPXXLDKI-UHFFFAOYSA-N 1 2 366.381 2.273 20 5 FEBDLO Cc1cc(OCC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000366647343 555898839 /nfs/dbraw/zinc/89/88/39/555898839.db2.gz SPLMYDBLTSOURY-UHFFFAOYSA-N 1 2 358.398 2.473 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@](F)(c3cccc(Cl)c3)C2)c1 ZINC000366981813 555988236 /nfs/dbraw/zinc/98/82/36/555988236.db2.gz LFKYUGOLHYQRAL-CVEARBPZSA-N 1 2 368.796 2.376 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@](F)(c3cccc(Cl)c3)C2)c1 ZINC000366981813 555988238 /nfs/dbraw/zinc/98/82/38/555988238.db2.gz LFKYUGOLHYQRAL-CVEARBPZSA-N 1 2 368.796 2.376 20 5 FEBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000367497273 556066933 /nfs/dbraw/zinc/06/69/33/556066933.db2.gz VKSPSQPMZAWZRN-UHFFFAOYSA-N 1 2 359.386 2.235 20 5 FEBDLO COc1cc(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c([N+](=O)[O-])cc1OC ZINC000367529574 556075433 /nfs/dbraw/zinc/07/54/33/556075433.db2.gz QYQJZUMUJQSMIV-NUEKZKHPSA-N 1 2 366.414 2.380 20 5 FEBDLO COc1cc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c([N+](=O)[O-])cc1OC ZINC000367529574 556075435 /nfs/dbraw/zinc/07/54/35/556075435.db2.gz QYQJZUMUJQSMIV-NUEKZKHPSA-N 1 2 366.414 2.380 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000368454117 556313934 /nfs/dbraw/zinc/31/39/34/556313934.db2.gz JKYZSVHZAICWAH-OLZOCXBDSA-N 1 2 370.413 2.174 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000368454117 556313938 /nfs/dbraw/zinc/31/39/38/556313938.db2.gz JKYZSVHZAICWAH-OLZOCXBDSA-N 1 2 370.413 2.174 20 5 FEBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368971451 556463301 /nfs/dbraw/zinc/46/33/01/556463301.db2.gz BQCLLCQRWCEHHX-WQVCFCJDSA-N 1 2 356.382 2.336 20 5 FEBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368971451 556463303 /nfs/dbraw/zinc/46/33/03/556463303.db2.gz BQCLLCQRWCEHHX-WQVCFCJDSA-N 1 2 356.382 2.336 20 5 FEBDLO Cc1[nH]c(-c2cccc(NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)c2)[nH+]c1C ZINC000370816066 556976870 /nfs/dbraw/zinc/97/68/70/556976870.db2.gz HTVPRLPUYVGZRE-UHFFFAOYSA-N 1 2 367.365 2.402 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC3(CCOC3=O)CC2)cccc1[N+](=O)[O-] ZINC000371157965 557092414 /nfs/dbraw/zinc/09/24/14/557092414.db2.gz PWOSIEPRBLHIBU-CYBMUJFWSA-N 1 2 361.398 2.259 20 5 FEBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)n1 ZINC000371378894 557167717 /nfs/dbraw/zinc/16/77/17/557167717.db2.gz LRBXVIZBKJOTLM-CQSZACIVSA-N 1 2 368.340 2.466 20 5 FEBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)n1 ZINC000371378894 557167720 /nfs/dbraw/zinc/16/77/20/557167720.db2.gz LRBXVIZBKJOTLM-CQSZACIVSA-N 1 2 368.340 2.466 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000371705210 557269492 /nfs/dbraw/zinc/26/94/92/557269492.db2.gz AWTOSLPVDJWYGD-JTQLQIEISA-N 1 2 358.324 2.381 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000371705210 557269496 /nfs/dbraw/zinc/26/94/96/557269496.db2.gz AWTOSLPVDJWYGD-JTQLQIEISA-N 1 2 358.324 2.381 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000371815126 557301027 /nfs/dbraw/zinc/30/10/27/557301027.db2.gz QLWCDOVYIUENCP-KRWDZBQOSA-N 1 2 355.394 2.494 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000371815126 557301029 /nfs/dbraw/zinc/30/10/29/557301029.db2.gz QLWCDOVYIUENCP-KRWDZBQOSA-N 1 2 355.394 2.494 20 5 FEBDLO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H]1c1cccnc1 ZINC000372402312 557462290 /nfs/dbraw/zinc/46/22/90/557462290.db2.gz ALWWQZHMZTZQFL-GUYCJALGSA-N 1 2 356.382 2.118 20 5 FEBDLO C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H]1c1cccnc1 ZINC000372402312 557462291 /nfs/dbraw/zinc/46/22/91/557462291.db2.gz ALWWQZHMZTZQFL-GUYCJALGSA-N 1 2 356.382 2.118 20 5 FEBDLO COc1cc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)c([N+](=O)[O-])cc1F ZINC000372519829 557491203 /nfs/dbraw/zinc/49/12/03/557491203.db2.gz BSBIVPMVHMAHOG-YVLXSGLVSA-N 1 2 351.378 2.361 20 5 FEBDLO COc1cc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)c([N+](=O)[O-])cc1F ZINC000372519829 557491204 /nfs/dbraw/zinc/49/12/04/557491204.db2.gz BSBIVPMVHMAHOG-YVLXSGLVSA-N 1 2 351.378 2.361 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccn(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000372550115 557501380 /nfs/dbraw/zinc/50/13/80/557501380.db2.gz KDCZHDIDGVJNIL-ZDUSSCGKSA-N 1 2 366.381 2.030 20 5 FEBDLO Cc1nn(Cc2ccc(C(=O)N(C)Cc3[nH]cc[nH+]3)cc2)c(C)c1[N+](=O)[O-] ZINC000520354530 562154213 /nfs/dbraw/zinc/15/42/13/562154213.db2.gz ZQKWIKGTFJEEIC-UHFFFAOYSA-N 1 2 368.397 2.452 20 5 FEBDLO C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373583678 557723048 /nfs/dbraw/zinc/72/30/48/557723048.db2.gz JSNFEEUHUFDZNA-UKRRQHHQSA-N 1 2 368.401 2.165 20 5 FEBDLO C[C@H](c1nnnn1-c1ccccc1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373583678 557723049 /nfs/dbraw/zinc/72/30/49/557723049.db2.gz JSNFEEUHUFDZNA-UKRRQHHQSA-N 1 2 368.401 2.165 20 5 FEBDLO CC[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@]2(CCOC2)O1 ZINC000373811002 557764476 /nfs/dbraw/zinc/76/44/76/557764476.db2.gz LBNOPGCCYBJGRH-CRAIPNDOSA-N 1 2 374.397 2.415 20 5 FEBDLO CC[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@]2(CCOC2)O1 ZINC000373811002 557764478 /nfs/dbraw/zinc/76/44/78/557764478.db2.gz LBNOPGCCYBJGRH-CRAIPNDOSA-N 1 2 374.397 2.415 20 5 FEBDLO CC[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@]2(CCOC2)O1 ZINC000373811005 557764527 /nfs/dbraw/zinc/76/45/27/557764527.db2.gz LBNOPGCCYBJGRH-MAUKXSAKSA-N 1 2 374.397 2.415 20 5 FEBDLO CC[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@]2(CCOC2)O1 ZINC000373811005 557764529 /nfs/dbraw/zinc/76/45/29/557764529.db2.gz LBNOPGCCYBJGRH-MAUKXSAKSA-N 1 2 374.397 2.415 20 5 FEBDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000374013805 557807926 /nfs/dbraw/zinc/80/79/26/557807926.db2.gz JMXGSYUKFCIXKW-HBUWYVDXSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000374013805 557807929 /nfs/dbraw/zinc/80/79/29/557807929.db2.gz JMXGSYUKFCIXKW-HBUWYVDXSA-N 1 2 363.414 2.192 20 5 FEBDLO COc1ccccc1[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000374353884 557870406 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/nfs/dbraw/zinc/00/06/74/558000674.db2.gz MIFFXTQFVWAHAW-GDBMZVCRSA-N 1 2 354.410 2.421 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375378360 558017886 /nfs/dbraw/zinc/01/78/86/558017886.db2.gz JHBSVYRAURZOEA-AWEZNQCLSA-N 1 2 368.397 2.313 20 5 FEBDLO CCc1nc([C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC000377497974 558351938 /nfs/dbraw/zinc/35/19/38/558351938.db2.gz VLFRDMBENUWCDJ-GFCCVEGCSA-N 1 2 359.386 2.358 20 5 FEBDLO CCc1nc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC000377497974 558351940 /nfs/dbraw/zinc/35/19/40/558351940.db2.gz VLFRDMBENUWCDJ-GFCCVEGCSA-N 1 2 359.386 2.358 20 5 FEBDLO COc1ccnc(N2CCC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)n1 ZINC000377510744 558354513 /nfs/dbraw/zinc/35/45/13/558354513.db2.gz HDJFOUYWLKQOIH-UHFFFAOYSA-N 1 2 361.377 2.245 20 5 FEBDLO COc1ccnc(N2CCC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)n1 ZINC000377510744 558354515 /nfs/dbraw/zinc/35/45/15/558354515.db2.gz HDJFOUYWLKQOIH-UHFFFAOYSA-N 1 2 361.377 2.245 20 5 FEBDLO CCc1n[nH]c(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000523242759 562210141 /nfs/dbraw/zinc/21/01/41/562210141.db2.gz VBSPHUHQYGCUPR-CYBMUJFWSA-N 1 2 372.360 2.272 20 5 FEBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378393408 558546821 /nfs/dbraw/zinc/54/68/21/558546821.db2.gz VSSVDUSLNDCMLW-LLVKDONJSA-N 1 2 364.789 2.414 20 5 FEBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378393408 558546823 /nfs/dbraw/zinc/54/68/23/558546823.db2.gz VSSVDUSLNDCMLW-LLVKDONJSA-N 1 2 364.789 2.414 20 5 FEBDLO O=[N+]([O-])c1cnc(NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)s1 ZINC000409716198 558716108 /nfs/dbraw/zinc/71/61/08/558716108.db2.gz KNRXLEYOHNOVQG-UHFFFAOYSA-N 1 2 367.862 2.939 20 5 FEBDLO Cc1cc(C)c(NC(=O)C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000411139144 558843852 /nfs/dbraw/zinc/84/38/52/558843852.db2.gz SNPQLQMNBWOQAU-UHFFFAOYSA-N 1 2 371.397 2.082 20 5 FEBDLO O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000525429885 562248138 /nfs/dbraw/zinc/24/81/38/562248138.db2.gz XMKCPPKQSFAHIY-LJQANCHMSA-N 1 2 367.405 2.385 20 5 FEBDLO O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000525429885 562248139 /nfs/dbraw/zinc/24/81/39/562248139.db2.gz XMKCPPKQSFAHIY-LJQANCHMSA-N 1 2 367.405 2.385 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000411579193 558921576 /nfs/dbraw/zinc/92/15/76/558921576.db2.gz CZKJBGQWHCQYQE-WCQYABFASA-N 1 2 357.370 2.169 20 5 FEBDLO Cn1ncc2c1CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000411839193 558973765 /nfs/dbraw/zinc/97/37/65/558973765.db2.gz CSKZVOWBTOBOGH-UHFFFAOYSA-N 1 2 363.805 2.369 20 5 FEBDLO Cn1ncc2c1CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000411839193 558973767 /nfs/dbraw/zinc/97/37/67/558973767.db2.gz CSKZVOWBTOBOGH-UHFFFAOYSA-N 1 2 363.805 2.369 20 5 FEBDLO Cc1nc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)CC2)cc[nH+]1 ZINC000412255529 559022969 /nfs/dbraw/zinc/02/29/69/559022969.db2.gz ULYKFPSKPBONQH-DLBZAZTESA-N 1 2 367.409 2.146 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCO[C@@H](C2CCC2)C1 ZINC000412457028 559036883 /nfs/dbraw/zinc/03/68/83/559036883.db2.gz JIYLNRCFWSVBOG-QGZVFWFLSA-N 1 2 356.382 2.422 20 5 FEBDLO C[C@H](O)CNc1cc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nc[nH+]1 ZINC000413162880 559084318 /nfs/dbraw/zinc/08/43/18/559084318.db2.gz DHXCLRAEUQZLTF-ZDUSSCGKSA-N 1 2 373.413 2.225 20 5 FEBDLO C[C@H](O)CNc1cc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[nH+]cn1 ZINC000413162880 559084320 /nfs/dbraw/zinc/08/43/20/559084320.db2.gz DHXCLRAEUQZLTF-ZDUSSCGKSA-N 1 2 373.413 2.225 20 5 FEBDLO CS(=O)(=O)N[C@H]1CCC[C@@H]1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413184285 559086353 /nfs/dbraw/zinc/08/63/53/559086353.db2.gz JKXVNOUDKCBHLZ-DOMZBBRYSA-N 1 2 364.427 2.273 20 5 FEBDLO COCc1nc2n(n1)C[C@H](Nc1[nH+]ccc3ccc([N+](=O)[O-])cc31)CC2 ZINC000413193504 559087423 /nfs/dbraw/zinc/08/74/23/559087423.db2.gz PCVJBIVBANCTQG-GFCCVEGCSA-N 1 2 354.370 2.308 20 5 FEBDLO CS(=O)(=O)N1CCCC[C@H]1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413293513 559096402 /nfs/dbraw/zinc/09/64/02/559096402.db2.gz NIMRXICHCHMBMW-AWEZNQCLSA-N 1 2 364.427 2.369 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000414466869 559166446 /nfs/dbraw/zinc/16/64/46/559166446.db2.gz HSEOUGNOILBZCQ-NSHDSACASA-N 1 2 352.416 2.023 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000417363170 559359271 /nfs/dbraw/zinc/35/92/71/559359271.db2.gz ANCPSOJXWKQOGP-XJKSGUPXSA-N 1 2 365.384 2.347 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCOCC2CCC2)CC1 ZINC000419183181 559431754 /nfs/dbraw/zinc/43/17/54/559431754.db2.gz IGQPPNFMBZQCPT-UHFFFAOYSA-N 1 2 353.444 2.231 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)n1 ZINC000427114351 559748139 /nfs/dbraw/zinc/74/81/39/559748139.db2.gz MFKPDLZXAUTJJU-CQSZACIVSA-N 1 2 372.360 2.203 20 5 FEBDLO CC[C@H]1C[N@H+](CCNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000427755572 559761586 /nfs/dbraw/zinc/76/15/86/559761586.db2.gz ILWQCWITUFFZLF-ZFWWWQNUSA-N 1 2 367.471 2.302 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000427755572 559761587 /nfs/dbraw/zinc/76/15/87/559761587.db2.gz ILWQCWITUFFZLF-ZFWWWQNUSA-N 1 2 367.471 2.302 20 5 FEBDLO COc1cc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc([N+](=O)[O-])c1OC ZINC000429491365 559799755 /nfs/dbraw/zinc/79/97/55/559799755.db2.gz LXQDWBQVDXZRDB-UHFFFAOYSA-N 1 2 374.397 2.417 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000430206707 559815356 /nfs/dbraw/zinc/81/53/56/559815356.db2.gz XUBIGPZLYCWCKQ-ZBFHGGJFSA-N 1 2 356.444 2.391 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000430206707 559815357 /nfs/dbraw/zinc/81/53/57/559815357.db2.gz XUBIGPZLYCWCKQ-ZBFHGGJFSA-N 1 2 356.444 2.391 20 5 FEBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000431886886 559847899 /nfs/dbraw/zinc/84/78/99/559847899.db2.gz HOXJMLOICCMSFO-UHFFFAOYSA-N 1 2 372.381 2.152 20 5 FEBDLO Cn1cc(Br)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000433209005 559873705 /nfs/dbraw/zinc/87/37/05/559873705.db2.gz WKTHDEGJZDXTDR-UHFFFAOYSA-N 1 2 369.223 2.124 20 5 FEBDLO Cc1cc(NCCn2cnnc2C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000433419562 559880833 /nfs/dbraw/zinc/88/08/33/559880833.db2.gz GDCMBSURBKHDDJ-UHFFFAOYSA-N 1 2 365.397 2.363 20 5 FEBDLO COc1cc(C[N@H+](C)CCN2CCOC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000435058431 559915361 /nfs/dbraw/zinc/91/53/61/559915361.db2.gz UFAHCXPYLQOETR-UHFFFAOYSA-N 1 2 367.446 2.155 20 5 FEBDLO COc1cc(C[N@@H+](C)CCN2CCOC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000435058431 559915362 /nfs/dbraw/zinc/91/53/62/559915362.db2.gz UFAHCXPYLQOETR-UHFFFAOYSA-N 1 2 367.446 2.155 20 5 FEBDLO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ccc([N+](=O)[O-])cc1O ZINC000436861913 559954733 /nfs/dbraw/zinc/95/47/33/559954733.db2.gz MFQMDKUELRZROM-UHFFFAOYSA-N 1 2 365.455 2.392 20 5 FEBDLO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436961720 559957692 /nfs/dbraw/zinc/95/76/92/559957692.db2.gz IDLWOZIPBDIREU-UHFFFAOYSA-N 1 2 372.381 2.443 20 5 FEBDLO O=c1[nH]c(NCCCCNc2cccc[nH+]2)nc2ccc([N+](=O)[O-])cc21 ZINC000439174424 559989646 /nfs/dbraw/zinc/98/96/46/559989646.db2.gz ZXGAVAPLXSAMTN-UHFFFAOYSA-N 1 2 354.370 2.943 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@]3(CO)CCOc4ccccc43)nc2c1 ZINC000440477267 560011804 /nfs/dbraw/zinc/01/18/04/560011804.db2.gz KRJJDPURRZFJSB-GOSISDBHSA-N 1 2 354.366 2.231 20 5 FEBDLO COc1cc(OC)cc(OCCC[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000441175627 560025649 /nfs/dbraw/zinc/02/56/49/560025649.db2.gz KWISFTJQSKMTKH-UHFFFAOYSA-N 1 2 364.402 2.246 20 5 FEBDLO COc1cc(OC)cc(OCCC[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000441175627 560025650 /nfs/dbraw/zinc/02/56/50/560025650.db2.gz KWISFTJQSKMTKH-UHFFFAOYSA-N 1 2 364.402 2.246 20 5 FEBDLO CN(Cc1[nH]cc[nH+]1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446063812 560138923 /nfs/dbraw/zinc/13/89/23/560138923.db2.gz SLIOZRXLTACEOZ-UHFFFAOYSA-N 1 2 353.176 2.282 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CC(=O)NC3CCCCC3)CC2)c1 ZINC000447080056 560156173 /nfs/dbraw/zinc/15/61/73/560156173.db2.gz SATCLKJHCQBDKX-UHFFFAOYSA-N 1 2 360.458 2.474 20 5 FEBDLO C[C@H]([NH2+]Cc1nnnn1CCOCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000447309523 560159836 /nfs/dbraw/zinc/15/98/36/560159836.db2.gz OMBRVXBNHIHCIL-JTQLQIEISA-N 1 2 374.323 2.011 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCCO[C@@H]1CCOC1 ZINC000447818634 560170063 /nfs/dbraw/zinc/17/00/63/560170063.db2.gz YEHJFXIUPHTVGO-MRXNPFEDSA-N 1 2 365.430 2.035 20 5 FEBDLO CCC[C@](C)(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OC ZINC000448771479 560198690 /nfs/dbraw/zinc/19/86/90/560198690.db2.gz NSQAXHCTIBQXSF-KRWDZBQOSA-N 1 2 360.370 2.242 20 5 FEBDLO CCOC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H](C)CC ZINC000449989328 560247446 /nfs/dbraw/zinc/24/74/46/560247446.db2.gz HQCYFVKDSKXHMN-BLLLJJGKSA-N 1 2 374.397 2.488 20 5 FEBDLO CCOC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H](C)CC ZINC000449989331 560247500 /nfs/dbraw/zinc/24/75/00/560247500.db2.gz HQCYFVKDSKXHMN-WBMJQRKESA-N 1 2 374.397 2.488 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2csc(NCC3([NH+]4CCOCC4)CC3)n2)cc1 ZINC000450485383 560263839 /nfs/dbraw/zinc/26/38/39/560263839.db2.gz NHKUKOJMZBNVSD-UHFFFAOYSA-N 1 2 360.439 2.995 20 5 FEBDLO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO[C@H]1C1CC1 ZINC000450824115 560274676 /nfs/dbraw/zinc/27/46/76/560274676.db2.gz WADWHOWNHGUBNR-FUHWJXTLSA-N 1 2 356.382 2.468 20 5 FEBDLO COC(=O)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000451121540 560288226 /nfs/dbraw/zinc/28/82/26/560288226.db2.gz RYUYLJJCEOOOOA-GXTWGEPZSA-N 1 2 372.381 2.052 20 5 FEBDLO COC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC(C)(C)O1 ZINC000451572628 560315447 /nfs/dbraw/zinc/31/54/47/560315447.db2.gz SFPPUVYUQZZCRF-CQSZACIVSA-N 1 2 374.397 2.047 20 5 FEBDLO O=C(NC[C@H]1CCC[C@@H](CO)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451789003 560328649 /nfs/dbraw/zinc/32/86/49/560328649.db2.gz LRGKQGPNAWJURA-UONOGXRCSA-N 1 2 358.398 2.309 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H]([C@@H](O)C(F)(F)F)C3)n2)c1 ZINC000451904738 560336217 /nfs/dbraw/zinc/33/62/17/560336217.db2.gz KHPRUROOIKTLLO-ZWNOBZJWSA-N 1 2 372.303 2.390 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H]([C@@H](O)C(F)(F)F)C3)n2)c1 ZINC000451904738 560336218 /nfs/dbraw/zinc/33/62/18/560336218.db2.gz KHPRUROOIKTLLO-ZWNOBZJWSA-N 1 2 372.303 2.390 20 5 FEBDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000451969036 560341257 /nfs/dbraw/zinc/34/12/57/560341257.db2.gz KCDFHLUOSDYVJR-NSHDSACASA-N 1 2 361.851 2.353 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000451970216 560341402 /nfs/dbraw/zinc/34/14/02/560341402.db2.gz LIOBNILXLUZGIG-ZDUSSCGKSA-N 1 2 355.460 2.262 20 5 FEBDLO CCOc1cccc(C[N@H+](CCO)CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000452046654 560347695 /nfs/dbraw/zinc/34/76/95/560347695.db2.gz LLZAQDBWIHMEKY-UHFFFAOYSA-N 1 2 373.409 2.427 20 5 FEBDLO CCOc1cccc(C[N@@H+](CCO)CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000452046654 560347696 /nfs/dbraw/zinc/34/76/96/560347696.db2.gz LLZAQDBWIHMEKY-UHFFFAOYSA-N 1 2 373.409 2.427 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@H](O)C12CCCC2 ZINC000452149161 560353826 /nfs/dbraw/zinc/35/38/26/560353826.db2.gz SSUUWHSKRYKRRD-INIZCTEOSA-N 1 2 356.382 2.300 20 5 FEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000456365816 560517554 /nfs/dbraw/zinc/51/75/54/560517554.db2.gz WGXRBPXPANQPNR-NSHDSACASA-N 1 2 364.427 2.387 20 5 FEBDLO Cc1c(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000456404131 560519423 /nfs/dbraw/zinc/51/94/23/560519423.db2.gz WYWCPCAKZHWFDR-IINYFYTJSA-N 1 2 367.369 2.116 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000457962453 560596680 /nfs/dbraw/zinc/59/66/80/560596680.db2.gz QEYBEBFWNOEGDZ-WMLDXEAASA-N 1 2 368.393 2.422 20 5 FEBDLO CCOC[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000459698568 560702970 /nfs/dbraw/zinc/70/29/70/560702970.db2.gz CGVBCJGDNQDHJH-HNNXBMFYSA-N 1 2 356.444 2.260 20 5 FEBDLO CCOC[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000459698568 560702971 /nfs/dbraw/zinc/70/29/71/560702971.db2.gz CGVBCJGDNQDHJH-HNNXBMFYSA-N 1 2 356.444 2.260 20 5 FEBDLO Cc1cc([N+](=O)[O-])cnc1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000462383653 560808065 /nfs/dbraw/zinc/80/80/65/560808065.db2.gz LHHOHHITUDKVMW-UHFFFAOYSA-N 1 2 372.425 2.621 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000464692056 560848606 /nfs/dbraw/zinc/84/86/06/560848606.db2.gz ROEZEIKAXXJTLF-TZMCWYRMSA-N 1 2 367.833 2.492 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000469062926 560946188 /nfs/dbraw/zinc/94/61/88/560946188.db2.gz ZFMFXLFXXSCEQU-STQMWFEESA-N 1 2 353.394 2.017 20 5 FEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000470173619 560976068 /nfs/dbraw/zinc/97/60/68/560976068.db2.gz DPTXIEZZEGYNBL-XOVFHRFOSA-N 1 2 359.426 2.321 20 5 FEBDLO Nc1c(F)c(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000471248254 561001277 /nfs/dbraw/zinc/00/12/77/561001277.db2.gz BOOJUNOVRVLNDV-UHFFFAOYSA-N 1 2 370.388 2.286 20 5 FEBDLO COC(=O)COc1ccc(CNc2ccc(N(C)C)[nH+]c2)cc1[N+](=O)[O-] ZINC000473482779 561050842 /nfs/dbraw/zinc/05/08/42/561050842.db2.gz YILBZELKZMGNIV-UHFFFAOYSA-N 1 2 360.370 2.220 20 5 FEBDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473514810 561051730 /nfs/dbraw/zinc/05/17/30/561051730.db2.gz UEQFMXVFSMCPMS-CQSZACIVSA-N 1 2 371.441 2.180 20 5 FEBDLO COC(=O)COc1ccc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000475293003 561094324 /nfs/dbraw/zinc/09/43/24/561094324.db2.gz IZZROIMELWSUDB-SJCJKPOMSA-N 1 2 364.398 2.146 20 5 FEBDLO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000475293003 561094325 /nfs/dbraw/zinc/09/43/25/561094325.db2.gz IZZROIMELWSUDB-SJCJKPOMSA-N 1 2 364.398 2.146 20 5 FEBDLO COC(=O)COc1ccc(C[N@@H+]2CCOC(C)(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000475709958 561102835 /nfs/dbraw/zinc/10/28/35/561102835.db2.gz OAOSOUAOPMBBFY-GFCCVEGCSA-N 1 2 352.387 2.146 20 5 FEBDLO COC(=O)COc1ccc(C[N@H+]2CCOC(C)(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000475709958 561102836 /nfs/dbraw/zinc/10/28/36/561102836.db2.gz OAOSOUAOPMBBFY-GFCCVEGCSA-N 1 2 352.387 2.146 20 5 FEBDLO C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000530466007 562412228 /nfs/dbraw/zinc/41/22/28/562412228.db2.gz BTYLYXHOQPNGJJ-MFKMUULPSA-N 1 2 362.411 2.112 20 5 FEBDLO C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000530466007 562412229 /nfs/dbraw/zinc/41/22/29/562412229.db2.gz BTYLYXHOQPNGJJ-MFKMUULPSA-N 1 2 362.411 2.112 20 5 FEBDLO O=C1C[C@H]([NH+]2CCC(C(F)F)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000532440061 562478163 /nfs/dbraw/zinc/47/81/63/562478163.db2.gz HUZWQVBUVGMBTA-ZDUSSCGKSA-N 1 2 353.325 2.204 20 5 FEBDLO Cc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000533819736 562519092 /nfs/dbraw/zinc/51/90/92/562519092.db2.gz QCULWHBGUVDUOT-INIZCTEOSA-N 1 2 361.423 2.368 20 5 FEBDLO Cc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000533819736 562519093 /nfs/dbraw/zinc/51/90/93/562519093.db2.gz QCULWHBGUVDUOT-INIZCTEOSA-N 1 2 361.423 2.368 20 5 FEBDLO Cc1nn2c(C[NH+]3CCN(c4ccc([N+](=O)[O-])nc4)CC3)c(C)nc2s1 ZINC000535785817 562568037 /nfs/dbraw/zinc/56/80/37/562568037.db2.gz TVWNSIAHZMNNFA-UHFFFAOYSA-N 1 2 373.442 2.033 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)c(Cl)c1 ZINC000541070503 562602094 /nfs/dbraw/zinc/60/20/94/562602094.db2.gz JICDHDLITJQYNU-NSHDSACASA-N 1 2 356.728 2.356 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@H+](CCC(F)(F)F)C[C@H](O)CO)c(Cl)c1 ZINC000541070503 562602095 /nfs/dbraw/zinc/60/20/95/562602095.db2.gz JICDHDLITJQYNU-NSHDSACASA-N 1 2 356.728 2.356 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000541955941 562624480 /nfs/dbraw/zinc/62/44/80/562624480.db2.gz YIHSPTRPIDKJFC-HNNXBMFYSA-N 1 2 365.336 2.443 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1(C)C ZINC000568841474 568232311 /nfs/dbraw/zinc/23/23/11/568232311.db2.gz COEKMSUYYQRRAF-AWEZNQCLSA-N 1 2 358.354 2.280 20 5 FEBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)C1CC1 ZINC000826499903 607524742 /nfs/dbraw/zinc/52/47/42/607524742.db2.gz DHJYRNPUPYGURP-UHFFFAOYSA-N 1 2 351.370 2.335 20 5 FEBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccnc(-c2nn[nH]n2)c1)C1CC1 ZINC000826499903 607524744 /nfs/dbraw/zinc/52/47/44/607524744.db2.gz DHJYRNPUPYGURP-UHFFFAOYSA-N 1 2 351.370 2.335 20 5 FEBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NCCNc2cccc[nH+]2)cc1Cl ZINC000809825394 674513394 /nfs/dbraw/zinc/51/33/94/674513394.db2.gz GCCQOAWCDCTZEW-UHFFFAOYSA-N 1 2 374.781 2.173 20 5 FEBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809829941 674513980 /nfs/dbraw/zinc/51/39/80/674513980.db2.gz OUXGMNFVWKLQOG-DTWKUNHWSA-N 1 2 365.814 2.100 20 5 FEBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809829941 674513983 /nfs/dbraw/zinc/51/39/83/674513983.db2.gz OUXGMNFVWKLQOG-DTWKUNHWSA-N 1 2 365.814 2.100 20 5 FEBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609134796 675911277 /nfs/dbraw/zinc/91/12/77/675911277.db2.gz YHJVMLLUBQFSPM-NSHDSACASA-N 1 2 370.818 2.471 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000609676446 675932214 /nfs/dbraw/zinc/93/22/14/675932214.db2.gz ZRKIRAHPEKBKEM-UHFFFAOYSA-N 1 2 364.408 2.321 20 5 FEBDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000595915100 673338925 /nfs/dbraw/zinc/33/89/25/673338925.db2.gz IPCUJIZISJDVNW-BFQNTYOBSA-N 1 2 360.357 2.079 20 5 FEBDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000595915100 673338928 /nfs/dbraw/zinc/33/89/28/673338928.db2.gz IPCUJIZISJDVNW-BFQNTYOBSA-N 1 2 360.357 2.079 20 5 FEBDLO CO[C@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@@](C)(CO)C1 ZINC000602962357 673914697 /nfs/dbraw/zinc/91/46/97/673914697.db2.gz JRFCGAMELAVVAF-TZMCWYRMSA-N 1 2 359.220 2.329 20 5 FEBDLO CO[C@H]1C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@@](C)(CO)C1 ZINC000602962357 673914700 /nfs/dbraw/zinc/91/47/00/673914700.db2.gz JRFCGAMELAVVAF-TZMCWYRMSA-N 1 2 359.220 2.329 20 5 FEBDLO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000823875652 675575304 /nfs/dbraw/zinc/57/53/04/675575304.db2.gz DSGVNSRENVSAHZ-MRXNPFEDSA-N 1 2 361.423 2.034 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000824948489 675630378 /nfs/dbraw/zinc/63/03/78/675630378.db2.gz GIYWOUGDHXUKCA-NEPJUHHUSA-N 1 2 353.444 2.156 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000824948489 675630379 /nfs/dbraw/zinc/63/03/79/675630379.db2.gz GIYWOUGDHXUKCA-NEPJUHHUSA-N 1 2 353.444 2.156 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)cc1Cl ZINC000840955654 680856962 /nfs/dbraw/zinc/85/69/62/680856962.db2.gz XIETYQAHGYJUPI-UHFFFAOYSA-N 1 2 373.862 2.248 20 5 FEBDLO Cn1ncc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1Cl ZINC000835457951 680334987 /nfs/dbraw/zinc/33/49/87/680334987.db2.gz LYESWDLCUIJCHV-ZDUSSCGKSA-N 1 2 364.789 2.413 20 5 FEBDLO Cn1ncc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1Cl ZINC000835457951 680334990 /nfs/dbraw/zinc/33/49/90/680334990.db2.gz LYESWDLCUIJCHV-ZDUSSCGKSA-N 1 2 364.789 2.413 20 5 FEBDLO C[N@H+](Cc1c(F)cccc1F)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985432259 680447606 /nfs/dbraw/zinc/44/76/06/680447606.db2.gz YCUVOYDIBLDYSX-MLGOLLRUSA-N 1 2 353.369 2.053 20 5 FEBDLO C[N@@H+](Cc1c(F)cccc1F)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985432259 680447610 /nfs/dbraw/zinc/44/76/10/680447610.db2.gz YCUVOYDIBLDYSX-MLGOLLRUSA-N 1 2 353.369 2.053 20 5 FEBDLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000768544404 680950100 /nfs/dbraw/zinc/95/01/00/680950100.db2.gz OYESNFZMKIPUBO-LBPRGKRZSA-N 1 2 361.851 2.009 20 5 FEBDLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000768544404 680950103 /nfs/dbraw/zinc/95/01/03/680950103.db2.gz OYESNFZMKIPUBO-LBPRGKRZSA-N 1 2 361.851 2.009 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000770717851 681025553 /nfs/dbraw/zinc/02/55/53/681025553.db2.gz ZXHRRRHRPQFZOW-QWRGUYRKSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000770717851 681025554 /nfs/dbraw/zinc/02/55/54/681025554.db2.gz ZXHRRRHRPQFZOW-QWRGUYRKSA-N 1 2 361.851 2.270 20 5 FEBDLO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CCn2c[nH+]cc21 ZINC000912584754 685400124 /nfs/dbraw/zinc/40/01/24/685400124.db2.gz SFLOYKGZJZSFNX-NSHDSACASA-N 1 2 365.187 2.358 20 5 FEBDLO CN1C[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2Br)CCC1=O ZINC000846922394 681308819 /nfs/dbraw/zinc/30/88/19/681308819.db2.gz WLICIEQKCAZWEW-LLVKDONJSA-N 1 2 356.220 2.410 20 5 FEBDLO CN1C[C@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2Br)CCC1=O ZINC000846922394 681308823 /nfs/dbraw/zinc/30/88/23/681308823.db2.gz WLICIEQKCAZWEW-LLVKDONJSA-N 1 2 356.220 2.410 20 5 FEBDLO C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847180728 681340732 /nfs/dbraw/zinc/34/07/32/681340732.db2.gz UEVYLDIHOHCOCZ-UTUOFQBUSA-N 1 2 355.822 2.476 20 5 FEBDLO C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847180728 681340734 /nfs/dbraw/zinc/34/07/34/681340734.db2.gz UEVYLDIHOHCOCZ-UTUOFQBUSA-N 1 2 355.822 2.476 20 5 FEBDLO CCn1c[nH+]c2c1CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000933259558 681381346 /nfs/dbraw/zinc/38/13/46/681381346.db2.gz CUZMTGSNKILYFD-UHFFFAOYSA-N 1 2 363.805 2.461 20 5 FEBDLO C[C@H](COC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[NH+]1CCCCC1 ZINC000847961300 681456227 /nfs/dbraw/zinc/45/62/27/681456227.db2.gz VUNBFLAGFQZKEI-GFCCVEGCSA-N 1 2 370.427 2.030 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000779921486 681771567 /nfs/dbraw/zinc/77/15/67/681771567.db2.gz TUFNIPINWYFGCE-WDEREUQCSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000779921486 681771569 /nfs/dbraw/zinc/77/15/69/681771569.db2.gz TUFNIPINWYFGCE-WDEREUQCSA-N 1 2 361.851 2.270 20 5 FEBDLO O=C1NCC2(CC[NH+](Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)O1 ZINC000783721708 682170189 /nfs/dbraw/zinc/17/01/89/682170189.db2.gz KOKXMOCOAOUEKT-UHFFFAOYSA-N 1 2 370.203 2.432 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000793712693 682905609 /nfs/dbraw/zinc/90/56/09/682905609.db2.gz XZHYVPQFWCPCFI-OCCSQVGLSA-N 1 2 351.407 2.080 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000793712693 682905614 /nfs/dbraw/zinc/90/56/14/682905614.db2.gz XZHYVPQFWCPCFI-OCCSQVGLSA-N 1 2 351.407 2.080 20 5 FEBDLO C[NH+](C)Cc1csc(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000927764640 683307422 /nfs/dbraw/zinc/30/74/22/683307422.db2.gz YZQMRBSPYHDXJG-UHFFFAOYSA-N 1 2 352.391 2.111 20 5 FEBDLO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000798224176 683323431 /nfs/dbraw/zinc/32/34/31/683323431.db2.gz HQHRDPQFWYTGIO-VIFPVBQESA-N 1 2 365.814 2.150 20 5 FEBDLO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000798224176 683323438 /nfs/dbraw/zinc/32/34/38/683323438.db2.gz HQHRDPQFWYTGIO-VIFPVBQESA-N 1 2 365.814 2.150 20 5 FEBDLO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798224704 683324084 /nfs/dbraw/zinc/32/40/84/683324084.db2.gz RBUSIOWTLOKGIC-VIFPVBQESA-N 1 2 365.814 2.150 20 5 FEBDLO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798224704 683324090 /nfs/dbraw/zinc/32/40/90/683324090.db2.gz RBUSIOWTLOKGIC-VIFPVBQESA-N 1 2 365.814 2.150 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC=C(Br)C2)c1 ZINC000799328349 683445840 /nfs/dbraw/zinc/44/58/40/683445840.db2.gz RXQDSCZSCKSJQV-ZDUSSCGKSA-N 1 2 357.204 2.319 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC=C(Br)C2)c1 ZINC000799328349 683445842 /nfs/dbraw/zinc/44/58/42/683445842.db2.gz RXQDSCZSCKSJQV-ZDUSSCGKSA-N 1 2 357.204 2.319 20 5 FEBDLO NC(=O)CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000929280296 683573370 /nfs/dbraw/zinc/57/33/70/683573370.db2.gz OGTWBXJFGLHTGV-UHFFFAOYSA-N 1 2 356.220 2.445 20 5 FEBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000931297939 684257439 /nfs/dbraw/zinc/25/74/39/684257439.db2.gz SMVONNVXANBGRW-NSHDSACASA-N 1 2 356.810 2.481 20 5 FEBDLO CO[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@@](C)(CO)C1 ZINC000879262734 686782871 /nfs/dbraw/zinc/78/28/71/686782871.db2.gz YWPGMTJTDWBUQX-SMDDNHRTSA-N 1 2 359.220 2.329 20 5 FEBDLO CO[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@@](C)(CO)C1 ZINC000879262734 686782877 /nfs/dbraw/zinc/78/28/77/686782877.db2.gz YWPGMTJTDWBUQX-SMDDNHRTSA-N 1 2 359.220 2.329 20 5 FEBDLO COc1c(O)ccc(C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1[N+](=O)[O-] ZINC000894196599 689484944 /nfs/dbraw/zinc/48/49/44/689484944.db2.gz WMIDUKLMTSDKDY-SJKOYZFVSA-N 1 2 352.387 2.079 20 5 FEBDLO COc1c(O)ccc(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1[N+](=O)[O-] ZINC000894196599 689484948 /nfs/dbraw/zinc/48/49/48/689484948.db2.gz WMIDUKLMTSDKDY-SJKOYZFVSA-N 1 2 352.387 2.079 20 5 FEBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC001164918892 721812638 /nfs/dbraw/zinc/81/26/38/721812638.db2.gz UNXHGNPGKYJKHN-UHFFFAOYSA-N 1 2 356.430 2.244 20 5 FEBDLO C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000015051673 539610305 /nfs/dbraw/zinc/61/03/05/539610305.db2.gz KXUOZKMIARVOGE-CALCHBBNSA-N 1 2 374.485 2.217 20 5 FEBDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000015051673 539610311 /nfs/dbraw/zinc/61/03/11/539610311.db2.gz KXUOZKMIARVOGE-CALCHBBNSA-N 1 2 374.485 2.217 20 5 FEBDLO CS(=O)(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3)nc2)c([N+](=O)[O-])c1 ZINC000022227649 539692707 /nfs/dbraw/zinc/69/27/07/539692707.db2.gz MGUMOYZILOLFHL-UHFFFAOYSA-N 1 2 373.394 2.191 20 5 FEBDLO Cc1cccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1[N+](=O)[O-] ZINC000025289607 539753647 /nfs/dbraw/zinc/75/36/47/539753647.db2.gz OCQVCNQLAPVZOI-UHFFFAOYSA-N 1 2 356.382 2.065 20 5 FEBDLO O=c1[nH]cnc2cc(N3CC[NH+](Cc4ccsc4)CC3)c([N+](=O)[O-])cc12 ZINC000029186151 539846238 /nfs/dbraw/zinc/84/62/38/539846238.db2.gz GYNLOZRVCVKAGL-UHFFFAOYSA-N 1 2 371.422 2.215 20 5 FEBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000030608672 539887701 /nfs/dbraw/zinc/88/77/01/539887701.db2.gz RXCAFECGGGUYGA-UHFFFAOYSA-N 1 2 365.349 2.149 20 5 FEBDLO Cc1ccc(NC(=O)C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000030542429 539885025 /nfs/dbraw/zinc/88/50/25/539885025.db2.gz IVBPYSFEPLFAIB-KRWDZBQOSA-N 1 2 373.409 2.213 20 5 FEBDLO Cc1ccc(NC(=O)C[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000030542429 539885027 /nfs/dbraw/zinc/88/50/27/539885027.db2.gz IVBPYSFEPLFAIB-KRWDZBQOSA-N 1 2 373.409 2.213 20 5 FEBDLO Cc1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)nc(C(C)C)[nH+]1 ZINC000031493535 539908912 /nfs/dbraw/zinc/90/89/12/539908912.db2.gz LGSZAZWFEPMHFM-UHFFFAOYSA-N 1 2 359.386 2.372 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000032248089 539931176 /nfs/dbraw/zinc/93/11/76/539931176.db2.gz GBGNGFZDOBSCIJ-IBGZPJMESA-N 1 2 369.421 2.155 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000032248089 539931180 /nfs/dbraw/zinc/93/11/80/539931180.db2.gz GBGNGFZDOBSCIJ-IBGZPJMESA-N 1 2 369.421 2.155 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[NH+]2CCN(c3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000042287865 540057847 /nfs/dbraw/zinc/05/78/47/540057847.db2.gz NLUHEDOLYKXJKB-HNNXBMFYSA-N 1 2 369.425 2.447 20 5 FEBDLO C[C@H]1CN(c2ccc(CNC(=O)Cc3ccccc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000046715799 540267897 /nfs/dbraw/zinc/26/78/97/540267897.db2.gz UGPCXUCYDIWSIT-AWEZNQCLSA-N 1 2 370.409 2.074 20 5 FEBDLO O=C(c1ccccc1)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051292653 540429461 /nfs/dbraw/zinc/42/94/61/540429461.db2.gz DYWNWPHPPMTFRB-UHFFFAOYSA-N 1 2 355.394 2.432 20 5 FEBDLO O=C(c1ccsc1)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000052240389 540459570 /nfs/dbraw/zinc/45/95/70/540459570.db2.gz DNWOHBHBMKFSGV-UHFFFAOYSA-N 1 2 361.423 2.493 20 5 FEBDLO C[N@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)Cc1ccccc1[N+](=O)[O-] ZINC000052589684 540476817 /nfs/dbraw/zinc/47/68/17/540476817.db2.gz DWKIULRROZCAHO-MRXNPFEDSA-N 1 2 355.394 2.147 20 5 FEBDLO C[N@@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)Cc1ccccc1[N+](=O)[O-] ZINC000052589684 540476819 /nfs/dbraw/zinc/47/68/19/540476819.db2.gz DWKIULRROZCAHO-MRXNPFEDSA-N 1 2 355.394 2.147 20 5 FEBDLO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000052939970 540501233 /nfs/dbraw/zinc/50/12/33/540501233.db2.gz FHXCZOVGQRZIRK-UHFFFAOYSA-N 1 2 372.219 2.407 20 5 FEBDLO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000052939970 540501234 /nfs/dbraw/zinc/50/12/34/540501234.db2.gz FHXCZOVGQRZIRK-UHFFFAOYSA-N 1 2 372.219 2.407 20 5 FEBDLO Cc1noc(C2CC[NH+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000053641449 540547258 /nfs/dbraw/zinc/54/72/58/540547258.db2.gz BZRHHBYTVDXABD-UHFFFAOYSA-N 1 2 359.386 2.413 20 5 FEBDLO CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000054317753 540582667 /nfs/dbraw/zinc/58/26/67/540582667.db2.gz VDZMJGDSKZQLBE-CQSZACIVSA-N 1 2 353.394 2.211 20 5 FEBDLO Cc1ccc2[nH+]c(CNC(=O)NCCNc3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000057221631 540779956 /nfs/dbraw/zinc/77/99/56/540779956.db2.gz LXIZNDMOMYWPAT-UHFFFAOYSA-N 1 2 368.397 2.462 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000058489661 540845449 /nfs/dbraw/zinc/84/54/49/540845449.db2.gz IOYFFNXIZPOXKY-UHFFFAOYSA-N 1 2 365.821 2.183 20 5 FEBDLO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000067724957 541504973 /nfs/dbraw/zinc/50/49/73/541504973.db2.gz VXXDKPIYVHEVRL-UHFFFAOYSA-N 1 2 355.398 2.017 20 5 FEBDLO Cc1cccc2[nH+]c(CNc3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])cn21 ZINC000068772204 541626728 /nfs/dbraw/zinc/62/67/28/541626728.db2.gz PUQJQABPAVFJTI-UHFFFAOYSA-N 1 2 350.338 2.400 20 5 FEBDLO COc1cccc(CC(=O)N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000069022079 541648798 /nfs/dbraw/zinc/64/87/98/541648798.db2.gz DUVGRVIBQJNAQE-UHFFFAOYSA-N 1 2 369.421 2.490 20 5 FEBDLO CCc1nc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000070697717 541737313 /nfs/dbraw/zinc/73/73/13/541737313.db2.gz DXLXOAFUPNDDDN-AWEZNQCLSA-N 1 2 351.428 2.485 20 5 FEBDLO CCc1nc(C[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000070697717 541737317 /nfs/dbraw/zinc/73/73/17/541737317.db2.gz DXLXOAFUPNDDDN-AWEZNQCLSA-N 1 2 351.428 2.485 20 5 FEBDLO CNC(=O)c1ccc(NCc2[nH+]ccn2CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000075722551 542201145 /nfs/dbraw/zinc/20/11/45/542201145.db2.gz FCCONSJZWGWLSV-UHFFFAOYSA-N 1 2 357.292 2.325 20 5 FEBDLO CCCC[N@H+](CC(N)=O)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000048048421 208386179 /nfs/dbraw/zinc/38/61/79/208386179.db2.gz OJCJCZZZCYWSPZ-UHFFFAOYSA-N 1 2 361.345 2.292 20 5 FEBDLO CCCC[N@@H+](CC(N)=O)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000048048421 208386184 /nfs/dbraw/zinc/38/61/84/208386184.db2.gz OJCJCZZZCYWSPZ-UHFFFAOYSA-N 1 2 361.345 2.292 20 5 FEBDLO C[NH+](C)CCOc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000079637024 542532772 /nfs/dbraw/zinc/53/27/72/542532772.db2.gz MQGOWSKGSLABPM-UHFFFAOYSA-N 1 2 359.382 2.171 20 5 FEBDLO CCOc1cccc(N2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000092033948 542839281 /nfs/dbraw/zinc/83/92/81/542839281.db2.gz KGYKVNASSYHOTP-UHFFFAOYSA-N 1 2 358.398 2.416 20 5 FEBDLO COc1ccc(-c2ccc(C[N@@H+]3C[C@H](CO)OC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000092042010 542840109 /nfs/dbraw/zinc/84/01/09/542840109.db2.gz JKGOKOSPFNYFBD-IUODEOHRSA-N 1 2 362.382 2.445 20 5 FEBDLO COc1ccc(-c2ccc(C[N@H+]3C[C@H](CO)OC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000092042010 542840112 /nfs/dbraw/zinc/84/01/12/542840112.db2.gz JKGOKOSPFNYFBD-IUODEOHRSA-N 1 2 362.382 2.445 20 5 FEBDLO CCOc1cc(Nc2cnn(CC[NH+]3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000092649916 542877649 /nfs/dbraw/zinc/87/76/49/542877649.db2.gz LOZSJSWTTQTLHF-UHFFFAOYSA-N 1 2 361.402 2.266 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(n4cncn4)CC3)n2)c1 ZINC000109699292 543334688 /nfs/dbraw/zinc/33/46/88/543334688.db2.gz XQYBENXIHGVQOA-UHFFFAOYSA-N 1 2 355.358 2.073 20 5 FEBDLO CC(C)[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000110191758 543351346 /nfs/dbraw/zinc/35/13/46/543351346.db2.gz AYFIXHAVNOOJHY-AWEZNQCLSA-N 1 2 355.822 2.335 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000110955706 543375056 /nfs/dbraw/zinc/37/50/56/543375056.db2.gz XMXDBHATGDAYJS-CQSZACIVSA-N 1 2 351.378 2.061 20 5 FEBDLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000111295833 543394494 /nfs/dbraw/zinc/39/44/94/543394494.db2.gz DHFVYPGJKHJPJT-HNNXBMFYSA-N 1 2 371.397 2.232 20 5 FEBDLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000111295833 543394498 /nfs/dbraw/zinc/39/44/98/543394498.db2.gz DHFVYPGJKHJPJT-HNNXBMFYSA-N 1 2 371.397 2.232 20 5 FEBDLO O=C([C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-])N1CCOCC1 ZINC000116276785 543605672 /nfs/dbraw/zinc/60/56/72/543605672.db2.gz IFEAMSZUGKGINN-HNNXBMFYSA-N 1 2 367.833 2.462 20 5 FEBDLO O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-])N1CCOCC1 ZINC000116276785 543605674 /nfs/dbraw/zinc/60/56/74/543605674.db2.gz IFEAMSZUGKGINN-HNNXBMFYSA-N 1 2 367.833 2.462 20 5 FEBDLO O=C([C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-])N1CCOCC1 ZINC000116276782 543606200 /nfs/dbraw/zinc/60/62/00/543606200.db2.gz IFEAMSZUGKGINN-OAHLLOKOSA-N 1 2 367.833 2.462 20 5 FEBDLO O=C([C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-])N1CCOCC1 ZINC000116276782 543606202 /nfs/dbraw/zinc/60/62/02/543606202.db2.gz IFEAMSZUGKGINN-OAHLLOKOSA-N 1 2 367.833 2.462 20 5 FEBDLO Cc1ccc2[nH+]c(CNC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)cn2c1 ZINC000117693399 543637275 /nfs/dbraw/zinc/63/72/75/543637275.db2.gz PTFGCBRONMPDEN-UHFFFAOYSA-N 1 2 368.349 2.252 20 5 FEBDLO C[C@@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1n1cc[nH+]c1 ZINC000124934370 543851904 /nfs/dbraw/zinc/85/19/04/543851904.db2.gz YEVFPEKCILKMNC-ABAIWWIYSA-N 1 2 354.370 2.391 20 5 FEBDLO O=C(CSCC[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000127376492 543988819 /nfs/dbraw/zinc/98/88/19/543988819.db2.gz PUDFASBQRLKILV-UHFFFAOYSA-N 1 2 359.835 2.252 20 5 FEBDLO O=C(CC[N@@H+]1CCCC[C@@H]1c1nnc[nH]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129648947 544121687 /nfs/dbraw/zinc/12/16/87/544121687.db2.gz FQNDDMUIKKYTGX-CQSZACIVSA-N 1 2 362.365 2.408 20 5 FEBDLO O=C(CC[N@H+]1CCCC[C@@H]1c1nnc[nH]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129648947 544121689 /nfs/dbraw/zinc/12/16/89/544121689.db2.gz FQNDDMUIKKYTGX-CQSZACIVSA-N 1 2 362.365 2.408 20 5 FEBDLO O=c1n2ccccc2nn1CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135219082 544338244 /nfs/dbraw/zinc/33/82/44/544338244.db2.gz MPWXGDYXHHKQRW-UHFFFAOYSA-N 1 2 353.382 2.069 20 5 FEBDLO O=c1n2ccccc2nn1CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135219082 544338248 /nfs/dbraw/zinc/33/82/48/544338248.db2.gz MPWXGDYXHHKQRW-UHFFFAOYSA-N 1 2 353.382 2.069 20 5 FEBDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C)o1 ZINC000143310503 544421780 /nfs/dbraw/zinc/42/17/80/544421780.db2.gz AGVOGEKKPUWWFL-UHFFFAOYSA-N 1 2 360.370 2.000 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000151161643 544511871 /nfs/dbraw/zinc/51/18/71/544511871.db2.gz LVPGXBKTUDTIAM-AWEZNQCLSA-N 1 2 363.395 2.140 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000151284752 544524528 /nfs/dbraw/zinc/52/45/28/544524528.db2.gz HTXDNDQRULQNKR-XJKSGUPXSA-N 1 2 364.427 2.372 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000152425125 544651516 /nfs/dbraw/zinc/65/15/16/544651516.db2.gz OSFJXZUZRVQFCE-CYBMUJFWSA-N 1 2 356.382 2.397 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3ccc(F)cc3Cl)CC2)c1 ZINC000153460038 544778389 /nfs/dbraw/zinc/77/83/89/544778389.db2.gz YSMWTSOVZHLUFT-UHFFFAOYSA-N 1 2 353.785 2.406 20 5 FEBDLO C[C@H](c1cccnc1)[NH+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154357645 544895180 /nfs/dbraw/zinc/89/51/80/544895180.db2.gz VNTXXPLHWMXVBY-DNVCBOLYSA-N 1 2 356.426 2.402 20 5 FEBDLO C[C@H](c1cccnc1)N1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154357645 544895186 /nfs/dbraw/zinc/89/51/86/544895186.db2.gz VNTXXPLHWMXVBY-DNVCBOLYSA-N 1 2 356.426 2.402 20 5 FEBDLO Cc1nc(CN2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)oc1C ZINC000155038195 544980008 /nfs/dbraw/zinc/98/00/08/544980008.db2.gz SBWIEWDGMXMZPQ-UHFFFAOYSA-N 1 2 360.414 2.396 20 5 FEBDLO CC[C@@H]1C[N@H+](CCNc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CCO1 ZINC000553230320 674246692 /nfs/dbraw/zinc/24/66/92/674246692.db2.gz WSZOCWOBQUNCGB-CYBMUJFWSA-N 1 2 351.403 2.213 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCNc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CCO1 ZINC000553230320 674246694 /nfs/dbraw/zinc/24/66/94/674246694.db2.gz WSZOCWOBQUNCGB-CYBMUJFWSA-N 1 2 351.403 2.213 20 5 FEBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000184191557 327855556 /nfs/dbraw/zinc/85/55/56/327855556.db2.gz DVBCGEVBUAFBKS-UHFFFAOYSA-N 1 2 356.382 2.262 20 5 FEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000185021082 327895304 /nfs/dbraw/zinc/89/53/04/327895304.db2.gz PWRMLCXAPCNWBC-INIZCTEOSA-N 1 2 363.458 2.391 20 5 FEBDLO CC[C@]1(CO)CCC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000187632539 328037012 /nfs/dbraw/zinc/03/70/12/328037012.db2.gz AFGJOXSABGJXHN-KRWDZBQOSA-N 1 2 351.403 2.026 20 5 FEBDLO CC[C@]1(CO)CCC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000187632539 328037015 /nfs/dbraw/zinc/03/70/15/328037015.db2.gz AFGJOXSABGJXHN-KRWDZBQOSA-N 1 2 351.403 2.026 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000189252278 328137416 /nfs/dbraw/zinc/13/74/16/328137416.db2.gz QJNKOGHJSVIJEF-WQGACYEGSA-N 1 2 351.403 2.287 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000189252278 328137417 /nfs/dbraw/zinc/13/74/17/328137417.db2.gz QJNKOGHJSVIJEF-WQGACYEGSA-N 1 2 351.403 2.287 20 5 FEBDLO CCOC(=O)[C@H](C)N(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000189382649 328144524 /nfs/dbraw/zinc/14/45/24/328144524.db2.gz HDFFLYURWQJYBY-LBPRGKRZSA-N 1 2 372.381 2.337 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000191324534 328260236 /nfs/dbraw/zinc/26/02/36/328260236.db2.gz HBVJNPFTXRCWES-KGLIPLIRSA-N 1 2 350.419 2.442 20 5 FEBDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000192243965 328308811 /nfs/dbraw/zinc/30/88/11/328308811.db2.gz USNPKTYBYASGMF-UHFFFAOYSA-N 1 2 366.443 2.455 20 5 FEBDLO O=[N+]([O-])c1ccc2oc(CN3CCCC[C@H]3C[NH+]3CCOCC3)nc2c1 ZINC000083189899 325215874 /nfs/dbraw/zinc/21/58/74/325215874.db2.gz CUCJPLUTJAAGJJ-HNNXBMFYSA-N 1 2 360.414 2.423 20 5 FEBDLO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089900502 325341211 /nfs/dbraw/zinc/34/12/11/325341211.db2.gz HJHOFZNSGFGRPP-MRXNPFEDSA-N 1 2 356.382 2.493 20 5 FEBDLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089900502 325341212 /nfs/dbraw/zinc/34/12/12/325341212.db2.gz HJHOFZNSGFGRPP-MRXNPFEDSA-N 1 2 356.382 2.493 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)C2 ZINC000090168856 325355884 /nfs/dbraw/zinc/35/58/84/325355884.db2.gz JTQVHVBRGFFLEV-CYBMUJFWSA-N 1 2 364.427 2.010 20 5 FEBDLO Cc1nn(CCC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C)c1[N+](=O)[O-] ZINC000119443074 326162660 /nfs/dbraw/zinc/16/26/60/326162660.db2.gz UWRKDAOVCAFJBD-OAHLLOKOSA-N 1 2 374.445 2.013 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000119823665 326202253 /nfs/dbraw/zinc/20/22/53/326202253.db2.gz JCPLQSCFLDMPLO-SFHVURJKSA-N 1 2 373.384 2.225 20 5 FEBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000120331330 326250445 /nfs/dbraw/zinc/25/04/45/326250445.db2.gz AWDBEWFKDUJRIE-CQSZACIVSA-N 1 2 357.414 2.222 20 5 FEBDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000120592962 326271404 /nfs/dbraw/zinc/27/14/04/326271404.db2.gz DBCGBOSABXVQSQ-UHFFFAOYSA-N 1 2 372.425 2.477 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000121449090 326339905 /nfs/dbraw/zinc/33/99/05/326339905.db2.gz SRFXMBKQWXEDOA-LBPRGKRZSA-N 1 2 354.363 2.373 20 5 FEBDLO CCCc1n[nH]c(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000121946235 326377538 /nfs/dbraw/zinc/37/75/38/326377538.db2.gz NSSFDFLPXYLMEZ-UHFFFAOYSA-N 1 2 360.418 2.099 20 5 FEBDLO CCCc1[nH]nc(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000121946235 326377539 /nfs/dbraw/zinc/37/75/39/326377539.db2.gz NSSFDFLPXYLMEZ-UHFFFAOYSA-N 1 2 360.418 2.099 20 5 FEBDLO Cc1nn(C)c(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1[N+](=O)[O-] ZINC000128649458 326527510 /nfs/dbraw/zinc/52/75/10/326527510.db2.gz QSALUKMBHXMJTP-GFCCVEGCSA-N 1 2 363.443 2.217 20 5 FEBDLO Cc1ccc(NC(=O)C(=O)NCCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000129623805 326543743 /nfs/dbraw/zinc/54/37/43/326543743.db2.gz PHWLDHHIMDDDNT-UHFFFAOYSA-N 1 2 371.397 2.245 20 5 FEBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000130911088 326565667 /nfs/dbraw/zinc/56/56/67/326565667.db2.gz VDBDFUKHBFDJCK-UHFFFAOYSA-N 1 2 372.406 2.400 20 5 FEBDLO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)Cn1cc[nH+]c1 ZINC000153397086 326731924 /nfs/dbraw/zinc/73/19/24/326731924.db2.gz MNOFBPRFJNBTEV-AWEZNQCLSA-N 1 2 357.414 2.458 20 5 FEBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000162366919 327023935 /nfs/dbraw/zinc/02/39/35/327023935.db2.gz LVFSCGSWQIQRIP-UHFFFAOYSA-N 1 2 358.402 2.034 20 5 FEBDLO Cc1c(CC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000163462756 327051880 /nfs/dbraw/zinc/05/18/80/327051880.db2.gz WJZLYYUDXQCJHJ-UHFFFAOYSA-N 1 2 351.366 2.343 20 5 FEBDLO Cc1c[nH+]ccc1CCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000166673540 327082912 /nfs/dbraw/zinc/08/29/12/327082912.db2.gz IFGUEJYASITHBZ-UHFFFAOYSA-N 1 2 364.427 2.203 20 5 FEBDLO NC(=O)CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000170738426 327096205 /nfs/dbraw/zinc/09/62/05/327096205.db2.gz KPECWBAGIHBAJZ-NSHDSACASA-N 1 2 368.821 2.164 20 5 FEBDLO NC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000170738426 327096206 /nfs/dbraw/zinc/09/62/06/327096206.db2.gz KPECWBAGIHBAJZ-NSHDSACASA-N 1 2 368.821 2.164 20 5 FEBDLO CCc1n[nH]c(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)c1[N+](=O)[O-] ZINC000171675474 327154333 /nfs/dbraw/zinc/15/43/33/327154333.db2.gz XHHZGJXNCPULTQ-UHFFFAOYSA-N 1 2 372.429 2.442 20 5 FEBDLO CCc1n[nH]c(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)c1[N+](=O)[O-] ZINC000172084487 327180245 /nfs/dbraw/zinc/18/02/45/327180245.db2.gz RQNVXZPXIXBCPK-GFCCVEGCSA-N 1 2 367.356 2.191 20 5 FEBDLO CCOc1ccc(CN2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000172717931 327215298 /nfs/dbraw/zinc/21/52/98/327215298.db2.gz CZBSNIBWFJUEGU-UHFFFAOYSA-N 1 2 359.430 2.008 20 5 FEBDLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000174883462 327358017 /nfs/dbraw/zinc/35/80/17/327358017.db2.gz WLYPCMOIRIAVIO-GFCCVEGCSA-N 1 2 352.395 2.040 20 5 FEBDLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000174883462 327358018 /nfs/dbraw/zinc/35/80/18/327358018.db2.gz WLYPCMOIRIAVIO-GFCCVEGCSA-N 1 2 352.395 2.040 20 5 FEBDLO Nc1c(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000178158160 327569132 /nfs/dbraw/zinc/56/91/32/327569132.db2.gz MAOJABYLNQOXDE-UHFFFAOYSA-N 1 2 365.393 2.394 20 5 FEBDLO Cc1nn(CCC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(C)c1[N+](=O)[O-] ZINC000263670932 328950674 /nfs/dbraw/zinc/95/06/74/328950674.db2.gz MAXRNGZUFGYRAW-UHFFFAOYSA-N 1 2 372.429 2.110 20 5 FEBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000264932054 329075975 /nfs/dbraw/zinc/07/59/75/329075975.db2.gz BCKFETQLWCIORU-UHFFFAOYSA-N 1 2 359.835 2.107 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000265891854 329170129 /nfs/dbraw/zinc/17/01/29/329170129.db2.gz YYYBPSFLZQPKPT-SFHVURJKSA-N 1 2 372.377 2.410 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000265891854 329170130 /nfs/dbraw/zinc/17/01/30/329170130.db2.gz YYYBPSFLZQPKPT-SFHVURJKSA-N 1 2 372.377 2.410 20 5 FEBDLO COc1ccc(OCC[N@@H+](C)Cc2nc([C@@H](C)OC)no2)c([N+](=O)[O-])c1 ZINC000267141096 329295810 /nfs/dbraw/zinc/29/58/10/329295810.db2.gz YSCWPAOHRFIHND-LLVKDONJSA-N 1 2 366.374 2.205 20 5 FEBDLO COc1ccc(OCC[N@H+](C)Cc2nc([C@@H](C)OC)no2)c([N+](=O)[O-])c1 ZINC000267141096 329295811 /nfs/dbraw/zinc/29/58/11/329295811.db2.gz YSCWPAOHRFIHND-LLVKDONJSA-N 1 2 366.374 2.205 20 5 FEBDLO O=[N+]([O-])c1cnc(N2CC[NH+](C3CCOCC3)CC2)c(Br)c1 ZINC000267182237 329300090 /nfs/dbraw/zinc/30/00/90/329300090.db2.gz BXWPWFQZVYAIHW-UHFFFAOYSA-N 1 2 371.235 2.053 20 5 FEBDLO C[C@H]([C@H](C)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCOCC1 ZINC000268171296 329392953 /nfs/dbraw/zinc/39/29/53/329392953.db2.gz PUJYSWOLHMDFRK-NWDGAFQWSA-N 1 2 370.837 2.157 20 5 FEBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000270647309 329618502 /nfs/dbraw/zinc/61/85/02/329618502.db2.gz APSBNUPAGXPHQH-UHFFFAOYSA-N 1 2 364.427 2.339 20 5 FEBDLO Cn1cc([N+](=O)[O-])c(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)n1 ZINC000270766649 329629597 /nfs/dbraw/zinc/62/95/97/329629597.db2.gz GUEKKSRQPLXIAL-UHFFFAOYSA-N 1 2 368.397 2.088 20 5 FEBDLO CS[C@H](CO)[C@H](C)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272588062 329794491 /nfs/dbraw/zinc/79/44/91/329794491.db2.gz ZMXCNZHFUSGHRS-GLQYFDAESA-N 1 2 350.444 2.120 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](OC(F)F)C1 ZINC000555215125 674351887 /nfs/dbraw/zinc/35/18/87/674351887.db2.gz DUECOZMZXFFCPU-NSHDSACASA-N 1 2 352.297 2.234 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000156559625 545635830 /nfs/dbraw/zinc/63/58/30/545635830.db2.gz JBMPRKIIJIYACB-BBRMVZONSA-N 1 2 373.413 2.322 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000156559625 545635832 /nfs/dbraw/zinc/63/58/32/545635832.db2.gz JBMPRKIIJIYACB-BBRMVZONSA-N 1 2 373.413 2.322 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](CCO)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000157041332 545693716 /nfs/dbraw/zinc/69/37/16/545693716.db2.gz JMQVTIXRNJWJHA-CQSZACIVSA-N 1 2 358.398 2.120 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](CCO)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000157041332 545693720 /nfs/dbraw/zinc/69/37/20/545693720.db2.gz JMQVTIXRNJWJHA-CQSZACIVSA-N 1 2 358.398 2.120 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCc1ncc(C)s1 ZINC000157469667 545744474 /nfs/dbraw/zinc/74/44/74/545744474.db2.gz ITIFCYZPJIIJTP-UHFFFAOYSA-N 1 2 364.427 2.481 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCc1ncc(C)s1 ZINC000157469667 545744483 /nfs/dbraw/zinc/74/44/83/545744483.db2.gz ITIFCYZPJIIJTP-UHFFFAOYSA-N 1 2 364.427 2.481 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161184501 546108239 /nfs/dbraw/zinc/10/82/39/546108239.db2.gz WYKROQZKDNAGSK-OAHLLOKOSA-N 1 2 369.425 2.135 20 5 FEBDLO C[C@@]1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCC[C@@H]1O ZINC000178246163 546763328 /nfs/dbraw/zinc/76/33/28/546763328.db2.gz FTTMFKDPDIMMIY-WMZOPIPTSA-N 1 2 358.398 2.452 20 5 FEBDLO Cc1cccn2cc(CNS(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000180250547 547073717 /nfs/dbraw/zinc/07/37/17/547073717.db2.gz IQBBELAHQWXYQB-UHFFFAOYSA-N 1 2 360.395 2.171 20 5 FEBDLO COC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000181412957 547310218 /nfs/dbraw/zinc/31/02/18/547310218.db2.gz WCDVXQGBYZEOKT-OAHLLOKOSA-N 1 2 365.336 2.449 20 5 FEBDLO Cc1cnc(CC[N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000182253955 547461078 /nfs/dbraw/zinc/46/10/78/547461078.db2.gz INDFRSGSAPWRGM-UHFFFAOYSA-N 1 2 369.468 2.308 20 5 FEBDLO Cc1cnc(CC[N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000182253955 547461082 /nfs/dbraw/zinc/46/10/82/547461082.db2.gz INDFRSGSAPWRGM-UHFFFAOYSA-N 1 2 369.468 2.308 20 5 FEBDLO CC[C@@H](C)NC(=O)CN1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182613522 547522510 /nfs/dbraw/zinc/52/25/10/547522510.db2.gz VEBRNSYCJJZGPE-CVEARBPZSA-N 1 2 362.474 2.497 20 5 FEBDLO CCOc1cccc(N2CC[NH+](CC(=O)N[C@@H](C)CC)CC2)c1[N+](=O)[O-] ZINC000183141536 547608872 /nfs/dbraw/zinc/60/88/72/547608872.db2.gz RZOBKACWCFBMBL-AWEZNQCLSA-N 1 2 364.446 2.030 20 5 FEBDLO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[NH+](CCOc2ccccc2)CC1 ZINC000183614880 547689228 /nfs/dbraw/zinc/68/92/28/547689228.db2.gz MHPVWZKKSDHTPU-UHFFFAOYSA-N 1 2 371.397 2.218 20 5 FEBDLO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000185214881 547953363 /nfs/dbraw/zinc/95/33/63/547953363.db2.gz NSWPYKCQLDPYDF-NWDGAFQWSA-N 1 2 364.402 2.366 20 5 FEBDLO Cn1c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000485718576 561326468 /nfs/dbraw/zinc/32/64/68/561326468.db2.gz DHBJTWCRRWRRBR-CJNGLKHVSA-N 1 2 364.352 2.387 20 5 FEBDLO Cn1c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000485718576 561326469 /nfs/dbraw/zinc/32/64/69/561326469.db2.gz DHBJTWCRRWRRBR-CJNGLKHVSA-N 1 2 364.352 2.387 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1C ZINC000486634504 561353048 /nfs/dbraw/zinc/35/30/48/561353048.db2.gz WPHYYVXZLMKWBC-HNNXBMFYSA-N 1 2 355.460 2.172 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c1C ZINC000486634504 561353049 /nfs/dbraw/zinc/35/30/49/561353049.db2.gz WPHYYVXZLMKWBC-HNNXBMFYSA-N 1 2 355.460 2.172 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488239932 561386749 /nfs/dbraw/zinc/38/67/49/561386749.db2.gz YQECGVVLDSPRGA-UHFFFAOYSA-N 1 2 369.219 2.085 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000488239932 561386750 /nfs/dbraw/zinc/38/67/50/561386750.db2.gz YQECGVVLDSPRGA-UHFFFAOYSA-N 1 2 369.219 2.085 20 5 FEBDLO COc1ccc(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000488789859 561397034 /nfs/dbraw/zinc/39/70/34/561397034.db2.gz AGGOBZSMPUOLAD-HNNXBMFYSA-N 1 2 362.430 2.181 20 5 FEBDLO COc1ccc(C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000488789859 561397035 /nfs/dbraw/zinc/39/70/35/561397035.db2.gz AGGOBZSMPUOLAD-HNNXBMFYSA-N 1 2 362.430 2.181 20 5 FEBDLO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H](C)O1 ZINC000248482654 549449585 /nfs/dbraw/zinc/44/95/85/549449585.db2.gz IZQPSLKSRQWOMN-UMVBOHGHSA-N 1 2 363.414 2.014 20 5 FEBDLO COCCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000249323599 549581433 /nfs/dbraw/zinc/58/14/33/549581433.db2.gz GKDFXAGLAKSOPD-WCQYABFASA-N 1 2 371.821 2.313 20 5 FEBDLO COCCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000249323599 549581438 /nfs/dbraw/zinc/58/14/38/549581438.db2.gz GKDFXAGLAKSOPD-WCQYABFASA-N 1 2 371.821 2.313 20 5 FEBDLO O=C(C[N@@H+]1CCS[C@H]2COCC[C@@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000268999043 550142722 /nfs/dbraw/zinc/14/27/22/550142722.db2.gz YTAPDMLHABYWHU-JSGCOSHPSA-N 1 2 371.846 2.393 20 5 FEBDLO O=C(C[N@H+]1CCS[C@H]2COCC[C@@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000268999043 550142724 /nfs/dbraw/zinc/14/27/24/550142724.db2.gz YTAPDMLHABYWHU-JSGCOSHPSA-N 1 2 371.846 2.393 20 5 FEBDLO COc1cc(C[N@@H+]2CCN(C(=O)N(C)C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000492953069 561453699 /nfs/dbraw/zinc/45/36/99/561453699.db2.gz NXVJGWGRJGOCGC-UHFFFAOYSA-N 1 2 350.419 2.181 20 5 FEBDLO COc1cc(C[N@H+]2CCN(C(=O)N(C)C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000492953069 561453700 /nfs/dbraw/zinc/45/37/00/561453700.db2.gz NXVJGWGRJGOCGC-UHFFFAOYSA-N 1 2 350.419 2.181 20 5 FEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C ZINC000493767065 561458114 /nfs/dbraw/zinc/45/81/14/561458114.db2.gz LVWDWPOQWUCQRA-KGLIPLIRSA-N 1 2 355.460 2.315 20 5 FEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C ZINC000493767065 561458115 /nfs/dbraw/zinc/45/81/15/561458115.db2.gz LVWDWPOQWUCQRA-KGLIPLIRSA-N 1 2 355.460 2.315 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc([N+](=O)[O-])c1F ZINC000271461558 550376988 /nfs/dbraw/zinc/37/69/88/550376988.db2.gz RDRJHWQGSRHTBH-UHFFFAOYSA-N 1 2 368.390 2.334 20 5 FEBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272159053 550426088 /nfs/dbraw/zinc/42/60/88/550426088.db2.gz NLEGCDZACZZWEB-ZDUSSCGKSA-N 1 2 362.336 2.477 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000494410800 561469195 /nfs/dbraw/zinc/46/91/95/561469195.db2.gz HIAZGXBBMXOBEV-OAHLLOKOSA-N 1 2 355.460 2.172 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000494410800 561469196 /nfs/dbraw/zinc/46/91/96/561469196.db2.gz HIAZGXBBMXOBEV-OAHLLOKOSA-N 1 2 355.460 2.172 20 5 FEBDLO COc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000272854015 550473464 /nfs/dbraw/zinc/47/34/64/550473464.db2.gz WASXKTJJZJBUOK-SFHVURJKSA-N 1 2 371.393 2.443 20 5 FEBDLO COc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000272854015 550473466 /nfs/dbraw/zinc/47/34/66/550473466.db2.gz WASXKTJJZJBUOK-SFHVURJKSA-N 1 2 371.393 2.443 20 5 FEBDLO O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000272980406 550479418 /nfs/dbraw/zinc/47/94/18/550479418.db2.gz KXJDFDMSDAQLDK-MRXNPFEDSA-N 1 2 369.381 2.217 20 5 FEBDLO O=[N+]([O-])c1cnc(N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)nc1 ZINC000273583326 550504077 /nfs/dbraw/zinc/50/40/77/550504077.db2.gz GECHNAVMBYLQIL-UHFFFAOYSA-N 1 2 373.804 2.008 20 5 FEBDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000494679844 561474017 /nfs/dbraw/zinc/47/40/17/561474017.db2.gz PGGDNKYOUFUWFS-LRDDRELGSA-N 1 2 367.833 2.460 20 5 FEBDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000494679844 561474018 /nfs/dbraw/zinc/47/40/18/561474018.db2.gz PGGDNKYOUFUWFS-LRDDRELGSA-N 1 2 367.833 2.460 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277440341 550670769 /nfs/dbraw/zinc/67/07/69/550670769.db2.gz NEPFYASVDBROAL-CQSZACIVSA-N 1 2 353.444 2.427 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000277440341 550670770 /nfs/dbraw/zinc/67/07/70/550670770.db2.gz NEPFYASVDBROAL-CQSZACIVSA-N 1 2 353.444 2.427 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]nc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)c2c1 ZINC000278152572 550754798 /nfs/dbraw/zinc/75/47/98/550754798.db2.gz SUPKFHHCXAEPAJ-SMDDNHRTSA-N 1 2 370.369 2.447 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]nc(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)c2c1 ZINC000278152572 550754799 /nfs/dbraw/zinc/75/47/99/550754799.db2.gz SUPKFHHCXAEPAJ-SMDDNHRTSA-N 1 2 370.369 2.447 20 5 FEBDLO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000278259698 550766190 /nfs/dbraw/zinc/76/61/90/550766190.db2.gz IDDSOHFIXTYQSW-SWLSCSKDSA-N 1 2 358.822 2.094 20 5 FEBDLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000278259698 550766192 /nfs/dbraw/zinc/76/61/92/550766192.db2.gz IDDSOHFIXTYQSW-SWLSCSKDSA-N 1 2 358.822 2.094 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000280286263 550976700 /nfs/dbraw/zinc/97/67/00/550976700.db2.gz DVIHSCVTUMWHIS-IAISJRAMSA-N 1 2 363.414 2.110 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000280286263 550976702 /nfs/dbraw/zinc/97/67/02/550976702.db2.gz DVIHSCVTUMWHIS-IAISJRAMSA-N 1 2 363.414 2.110 20 5 FEBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CCO2 ZINC000280526875 551004207 /nfs/dbraw/zinc/00/42/07/551004207.db2.gz SFDMRACZCPJEKY-SJCJKPOMSA-N 1 2 360.370 2.025 20 5 FEBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CCO2 ZINC000280526875 551004208 /nfs/dbraw/zinc/00/42/08/551004208.db2.gz SFDMRACZCPJEKY-SJCJKPOMSA-N 1 2 360.370 2.025 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280813092 551034801 /nfs/dbraw/zinc/03/48/01/551034801.db2.gz UMUMKKZCMRWRBB-MOPGFXCFSA-N 1 2 367.405 2.320 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280813092 551034803 /nfs/dbraw/zinc/03/48/03/551034803.db2.gz UMUMKKZCMRWRBB-MOPGFXCFSA-N 1 2 367.405 2.320 20 5 FEBDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000281047568 551057835 /nfs/dbraw/zinc/05/78/35/551057835.db2.gz XARBIUBTFMKWAG-UHFFFAOYSA-N 1 2 370.409 2.061 20 5 FEBDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000281380480 551090417 /nfs/dbraw/zinc/09/04/17/551090417.db2.gz MFZXWWCAGAWSGG-SFHVURJKSA-N 1 2 369.425 2.445 20 5 FEBDLO Cn1nccc1[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000281380480 551090419 /nfs/dbraw/zinc/09/04/19/551090419.db2.gz MFZXWWCAGAWSGG-SFHVURJKSA-N 1 2 369.425 2.445 20 5 FEBDLO CNC(=O)[C@]1(C)CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000281981294 551165549 /nfs/dbraw/zinc/16/55/49/551165549.db2.gz MOGDHVOKRXPPCQ-GOSISDBHSA-N 1 2 355.398 2.323 20 5 FEBDLO Cc1[nH+]c2cc(CNC(=O)CCn3cc([N+](=O)[O-])cn3)ccc2n1C1CC1 ZINC000283007553 551296859 /nfs/dbraw/zinc/29/68/59/551296859.db2.gz WDRRCQSSNOXADY-UHFFFAOYSA-N 1 2 368.397 2.491 20 5 FEBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C[C@H]21 ZINC000284530563 551570663 /nfs/dbraw/zinc/57/06/63/551570663.db2.gz PAPDLDLSZHUIDK-IAGOWNOFSA-N 1 2 361.442 2.437 20 5 FEBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C[C@H]21 ZINC000284530563 551570666 /nfs/dbraw/zinc/57/06/66/551570666.db2.gz PAPDLDLSZHUIDK-IAGOWNOFSA-N 1 2 361.442 2.437 20 5 FEBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000284676734 551604978 /nfs/dbraw/zinc/60/49/78/551604978.db2.gz GAGIQYRTCUTPRF-ZIAGYGMSSA-N 1 2 354.794 2.185 20 5 FEBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000284676734 551604980 /nfs/dbraw/zinc/60/49/80/551604980.db2.gz GAGIQYRTCUTPRF-ZIAGYGMSSA-N 1 2 354.794 2.185 20 5 FEBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)n2)C1 ZINC000285157807 551712626 /nfs/dbraw/zinc/71/26/26/551712626.db2.gz QPBSCRLOQLDZTO-SECBINFHSA-N 1 2 350.404 2.259 20 5 FEBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)n2)C1 ZINC000285157807 551712628 /nfs/dbraw/zinc/71/26/28/551712628.db2.gz QPBSCRLOQLDZTO-SECBINFHSA-N 1 2 350.404 2.259 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC=C(c3ccnn3C)CC2)c([N+](=O)[O-])c1 ZINC000285520965 551769071 /nfs/dbraw/zinc/76/90/71/551769071.db2.gz GROJJANJZXKSEP-UHFFFAOYSA-N 1 2 371.397 2.065 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccnn3C)CC2)c([N+](=O)[O-])c1 ZINC000285520965 551769072 /nfs/dbraw/zinc/76/90/72/551769072.db2.gz GROJJANJZXKSEP-UHFFFAOYSA-N 1 2 371.397 2.065 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000285688328 551795575 /nfs/dbraw/zinc/79/55/75/551795575.db2.gz VHUAUUPPHJLLJR-AWEZNQCLSA-N 1 2 361.320 2.313 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000285688328 551795576 /nfs/dbraw/zinc/79/55/76/551795576.db2.gz VHUAUUPPHJLLJR-AWEZNQCLSA-N 1 2 361.320 2.313 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ncc(Br)cc1[N+](=O)[O-] ZINC000286296799 551871031 /nfs/dbraw/zinc/87/10/31/551871031.db2.gz JFCCZKBXWMBMBI-CMPLNLGQSA-N 1 2 371.235 2.052 20 5 FEBDLO CN(C)c1ccc(CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000286587890 551902901 /nfs/dbraw/zinc/90/29/01/551902901.db2.gz RVSYEBISPJPZSR-UHFFFAOYSA-N 1 2 357.414 2.440 20 5 FEBDLO CN(CCc1ccccc1[N+](=O)[O-])c1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000286705967 551916788 /nfs/dbraw/zinc/91/67/88/551916788.db2.gz YUEFFPGMPCQWSG-HNNXBMFYSA-N 1 2 371.441 2.272 20 5 FEBDLO CN(CCc1ccccc1[N+](=O)[O-])c1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000286705967 551916790 /nfs/dbraw/zinc/91/67/90/551916790.db2.gz YUEFFPGMPCQWSG-HNNXBMFYSA-N 1 2 371.441 2.272 20 5 FEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000291093983 552585998 /nfs/dbraw/zinc/58/59/98/552585998.db2.gz JQGZQJJHUQQAHB-GHMZBOCLSA-N 1 2 360.336 2.308 20 5 FEBDLO O=C(C[N@@H+]1CCC(F)(F)[C@H](CO)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000291698313 552652549 /nfs/dbraw/zinc/65/25/49/552652549.db2.gz HXIHTIXQVRUTPE-VIFPVBQESA-N 1 2 363.748 2.136 20 5 FEBDLO O=C(C[N@H+]1CCC(F)(F)[C@H](CO)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000291698313 552652551 /nfs/dbraw/zinc/65/25/51/552652551.db2.gz HXIHTIXQVRUTPE-VIFPVBQESA-N 1 2 363.748 2.136 20 5 FEBDLO C[C@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292249213 552708717 /nfs/dbraw/zinc/70/87/17/552708717.db2.gz JZXXYXNLKZNPBW-LLVKDONJSA-N 1 2 373.500 2.370 20 5 FEBDLO C[C@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000292249213 552708718 /nfs/dbraw/zinc/70/87/18/552708718.db2.gz JZXXYXNLKZNPBW-LLVKDONJSA-N 1 2 373.500 2.370 20 5 FEBDLO CC(C)[C@]1(CO)CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000292991872 552778281 /nfs/dbraw/zinc/77/82/81/552778281.db2.gz IHUWPKPCUDNOAP-QGZVFWFLSA-N 1 2 370.471 2.099 20 5 FEBDLO CC(C)[C@]1(CO)CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000292991872 552778283 /nfs/dbraw/zinc/77/82/83/552778283.db2.gz IHUWPKPCUDNOAP-QGZVFWFLSA-N 1 2 370.471 2.099 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](O)C12CCCC2 ZINC000293830889 552860421 /nfs/dbraw/zinc/86/04/21/552860421.db2.gz DVKBBNDBEUJHFY-INIZCTEOSA-N 1 2 356.382 2.300 20 5 FEBDLO CC(C)(CCC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1)[N+](=O)[O-] ZINC000294580092 552917532 /nfs/dbraw/zinc/91/75/32/552917532.db2.gz XXVYQIDZUSOFIO-ZDUSSCGKSA-N 1 2 355.460 2.073 20 5 FEBDLO Cc1nc(NCc2cccc(OCC[NH+]3CCOCC3)c2)ncc1[N+](=O)[O-] ZINC000295594809 553030664 /nfs/dbraw/zinc/03/06/64/553030664.db2.gz TXYJCDNJVAEHPB-UHFFFAOYSA-N 1 2 373.413 2.016 20 5 FEBDLO CC(C)(C)OC(=O)C1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000295848773 553067356 /nfs/dbraw/zinc/06/73/56/553067356.db2.gz DEKGOXAMOUDMHW-UHFFFAOYSA-N 1 2 372.381 2.194 20 5 FEBDLO CCN(C)C(=O)[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000296204189 553121944 /nfs/dbraw/zinc/12/19/44/553121944.db2.gz JKFZENOFXYOIMT-HNNXBMFYSA-N 1 2 361.402 2.237 20 5 FEBDLO COC(=O)C1([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000502762614 561624902 /nfs/dbraw/zinc/62/49/02/561624902.db2.gz KTVFOKCYBVQXNX-HNNXBMFYSA-N 1 2 366.414 2.190 20 5 FEBDLO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000296713896 553201794 /nfs/dbraw/zinc/20/17/94/553201794.db2.gz NGIGTHMFYUIOPI-YMXBGEKHSA-N 1 2 368.455 2.432 20 5 FEBDLO COC(=O)C1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCCC1 ZINC000503162220 561635616 /nfs/dbraw/zinc/63/56/16/561635616.db2.gz ZRIJWHKPWGJZDL-UHFFFAOYSA-N 1 2 365.386 2.007 20 5 FEBDLO Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000298756318 553468779 /nfs/dbraw/zinc/46/87/79/553468779.db2.gz YLQQIDJDOFAJBC-UHFFFAOYSA-N 1 2 371.397 2.457 20 5 FEBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccsc1 ZINC000299076445 553512096 /nfs/dbraw/zinc/51/20/96/553512096.db2.gz XNKZXNQKQAAQAJ-LBPRGKRZSA-N 1 2 373.431 2.377 20 5 FEBDLO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000299471207 553567900 /nfs/dbraw/zinc/56/79/00/553567900.db2.gz YMMODDAPZSNDRP-OAHLLOKOSA-N 1 2 371.397 2.192 20 5 FEBDLO Nc1nc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)ncc1[N+](=O)[O-] ZINC000301111435 553622805 /nfs/dbraw/zinc/62/28/05/553622805.db2.gz YTLBMLFYEIZLRJ-UHFFFAOYSA-N 1 2 354.823 2.004 20 5 FEBDLO O=C1COc2cc([N+](=O)[O-])c(N[C@H]3CCN(c4cccc[nH+]4)C3)cc2N1 ZINC000301789091 553678933 /nfs/dbraw/zinc/67/89/33/553678933.db2.gz YDQSVGHQMGHJQH-NSHDSACASA-N 1 2 355.354 2.012 20 5 FEBDLO Cc1cc(N2CCc3nc[nH]c(=O)c3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301804172 553681187 /nfs/dbraw/zinc/68/11/87/553681187.db2.gz VEGGFDFISCBZOW-UHFFFAOYSA-N 1 2 364.365 2.419 20 5 FEBDLO C[C@@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000301901659 553690257 /nfs/dbraw/zinc/69/02/57/553690257.db2.gz VTWSFKHLOCRPLA-OCCSQVGLSA-N 1 2 364.427 2.282 20 5 FEBDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000505243032 561668601 /nfs/dbraw/zinc/66/86/01/561668601.db2.gz SJHDPXNIUZSMQJ-LLVKDONJSA-N 1 2 363.805 2.490 20 5 FEBDLO COc1ccccc1[C@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC[NH2+]1 ZINC000505500081 561672214 /nfs/dbraw/zinc/67/22/14/561672214.db2.gz UUCPUNLOLBCMKG-CYBMUJFWSA-N 1 2 373.413 2.237 20 5 FEBDLO COc1ccccc1[C@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC[NH2+]1 ZINC000505500081 561672215 /nfs/dbraw/zinc/67/22/15/561672215.db2.gz UUCPUNLOLBCMKG-CYBMUJFWSA-N 1 2 373.413 2.237 20 5 FEBDLO COc1cc(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)cc([N+](=O)[O-])c1OC ZINC000505909001 561684820 /nfs/dbraw/zinc/68/48/20/561684820.db2.gz CCILZIPZUNCJAK-LBPRGKRZSA-N 1 2 374.397 2.424 20 5 FEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000330549125 554136948 /nfs/dbraw/zinc/13/69/48/554136948.db2.gz LWTJXMMXILSXQF-GHMZBOCLSA-N 1 2 361.851 2.351 20 5 FEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000330549125 554136951 /nfs/dbraw/zinc/13/69/51/554136951.db2.gz LWTJXMMXILSXQF-GHMZBOCLSA-N 1 2 361.851 2.351 20 5 FEBDLO O=C1[C@@H]([N@@H+]2CCC[C@](O)(C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000331702576 554311384 /nfs/dbraw/zinc/31/13/84/554311384.db2.gz WSYXHLGPWJMZJM-DZGCQCFKSA-N 1 2 373.331 2.089 20 5 FEBDLO O=C1[C@@H]([N@H+]2CCC[C@](O)(C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000331702576 554311388 /nfs/dbraw/zinc/31/13/88/554311388.db2.gz WSYXHLGPWJMZJM-DZGCQCFKSA-N 1 2 373.331 2.089 20 5 FEBDLO CC1(C)CC[C@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)O1 ZINC000332084643 554377160 /nfs/dbraw/zinc/37/71/60/554377160.db2.gz DLYYLWJJZNGLGP-GFCCVEGCSA-N 1 2 353.444 2.372 20 5 FEBDLO CN1CC[NH+](CC2(C)CC[NH+](Cc3cc([O-])ccc3[N+](=O)[O-])CC2)CC1 ZINC000332103268 554381066 /nfs/dbraw/zinc/38/10/66/554381066.db2.gz FYFCPFNKBASARK-UHFFFAOYSA-N 1 2 362.474 2.150 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC(n2cc[nH+]c2)C1 ZINC000531025281 562432315 /nfs/dbraw/zinc/43/23/15/562432315.db2.gz QZNDXJHZBOZVKP-UHFFFAOYSA-N 1 2 365.187 2.180 20 5 FEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332527563 554463503 /nfs/dbraw/zinc/46/35/03/554463503.db2.gz DDINULAEKCDNPY-HUUCEWRRSA-N 1 2 365.455 2.252 20 5 FEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332527563 554463505 /nfs/dbraw/zinc/46/35/05/554463505.db2.gz DDINULAEKCDNPY-HUUCEWRRSA-N 1 2 365.455 2.252 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000511175796 561860173 /nfs/dbraw/zinc/86/01/73/561860173.db2.gz UHGXHYCZKOQNJM-UHFFFAOYSA-N 1 2 362.430 2.032 20 5 FEBDLO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000363198194 555051570 /nfs/dbraw/zinc/05/15/70/555051570.db2.gz BAKXWTSUQXAZPI-QEJZJMRPSA-N 1 2 371.397 2.263 20 5 FEBDLO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000363198194 555051572 /nfs/dbraw/zinc/05/15/72/555051572.db2.gz BAKXWTSUQXAZPI-QEJZJMRPSA-N 1 2 371.397 2.263 20 5 FEBDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)CC2 ZINC000363688592 555164498 /nfs/dbraw/zinc/16/44/98/555164498.db2.gz LRETWAJCBATKNN-UHFFFAOYSA-N 1 2 370.818 2.266 20 5 FEBDLO O=C(CC[NH2+][C@H](c1nnc[nH]1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000364144072 555257877 /nfs/dbraw/zinc/25/78/77/555257877.db2.gz UWSZCXVUWOSCID-KRWDZBQOSA-N 1 2 366.381 2.421 20 5 FEBDLO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000364674755 555371249 /nfs/dbraw/zinc/37/12/49/555371249.db2.gz QRCXLYIXOBTEBJ-KSSFIOAISA-N 1 2 370.409 2.460 20 5 FEBDLO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000364674755 555371251 /nfs/dbraw/zinc/37/12/51/555371251.db2.gz QRCXLYIXOBTEBJ-KSSFIOAISA-N 1 2 370.409 2.460 20 5 FEBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000364696520 555377746 /nfs/dbraw/zinc/37/77/46/555377746.db2.gz MSPLHGOTYGYFCC-OAHLLOKOSA-N 1 2 373.413 2.413 20 5 FEBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000364696520 555377748 /nfs/dbraw/zinc/37/77/48/555377748.db2.gz MSPLHGOTYGYFCC-OAHLLOKOSA-N 1 2 373.413 2.413 20 5 FEBDLO O=C(C[N@@H+]1CCCN(c2ncccc2F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000364750175 555393528 /nfs/dbraw/zinc/39/35/28/555393528.db2.gz PZUKUDKHYGVBIP-UHFFFAOYSA-N 1 2 373.388 2.280 20 5 FEBDLO O=C(C[N@H+]1CCCN(c2ncccc2F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000364750175 555393532 /nfs/dbraw/zinc/39/35/32/555393532.db2.gz PZUKUDKHYGVBIP-UHFFFAOYSA-N 1 2 373.388 2.280 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512844855 561917723 /nfs/dbraw/zinc/91/77/23/561917723.db2.gz PPZLMQRITXNEGJ-GHMZBOCLSA-N 1 2 373.356 2.492 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512844855 561917724 /nfs/dbraw/zinc/91/77/24/561917724.db2.gz PPZLMQRITXNEGJ-GHMZBOCLSA-N 1 2 373.356 2.492 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)no1 ZINC000365165217 555500179 /nfs/dbraw/zinc/50/01/79/555500179.db2.gz NGPHRVXIYLLRGN-CZUORRHYSA-N 1 2 371.397 2.271 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)no1 ZINC000365165217 555500181 /nfs/dbraw/zinc/50/01/81/555500181.db2.gz NGPHRVXIYLLRGN-CZUORRHYSA-N 1 2 371.397 2.271 20 5 FEBDLO Cc1nc([C@H]2CCC[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)no1 ZINC000365165213 555500185 /nfs/dbraw/zinc/50/01/85/555500185.db2.gz NGPHRVXIYLLRGN-BBRMVZONSA-N 1 2 371.397 2.271 20 5 FEBDLO Cc1nc([C@H]2CCC[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)no1 ZINC000365165213 555500186 /nfs/dbraw/zinc/50/01/86/555500186.db2.gz NGPHRVXIYLLRGN-BBRMVZONSA-N 1 2 371.397 2.271 20 5 FEBDLO CC[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000366248028 555792272 /nfs/dbraw/zinc/79/22/72/555792272.db2.gz GVPTYHIHFLOLPM-KSSFIOAISA-N 1 2 366.414 2.382 20 5 FEBDLO CC[C@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000366248028 555792275 /nfs/dbraw/zinc/79/22/75/555792275.db2.gz GVPTYHIHFLOLPM-KSSFIOAISA-N 1 2 366.414 2.382 20 5 FEBDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000366455915 555848767 /nfs/dbraw/zinc/84/87/67/555848767.db2.gz KCEMJDVKRBKGFV-ZDUSSCGKSA-N 1 2 355.398 2.205 20 5 FEBDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000366455915 555848769 /nfs/dbraw/zinc/84/87/69/555848769.db2.gz KCEMJDVKRBKGFV-ZDUSSCGKSA-N 1 2 355.398 2.205 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000366604384 555888517 /nfs/dbraw/zinc/88/85/17/555888517.db2.gz RVVMNLDJLVMMEF-CYBMUJFWSA-N 1 2 373.413 2.485 20 5 FEBDLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000366895349 555962523 /nfs/dbraw/zinc/96/25/23/555962523.db2.gz JGDKIYJMLASNEH-MRXNPFEDSA-N 1 2 371.397 2.239 20 5 FEBDLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000366895349 555962527 /nfs/dbraw/zinc/96/25/27/555962527.db2.gz JGDKIYJMLASNEH-MRXNPFEDSA-N 1 2 371.397 2.239 20 5 FEBDLO O=c1[nH]c(N2CC[C@@H](Oc3cc[nH+]cc3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000367419628 556043987 /nfs/dbraw/zinc/04/39/87/556043987.db2.gz NQIMUKRMAPMSMR-CYBMUJFWSA-N 1 2 353.338 2.296 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000367556388 556081732 /nfs/dbraw/zinc/08/17/32/556081732.db2.gz YAAMSRRIMVKBFA-CXAGYDPISA-N 1 2 370.409 2.336 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000367556388 556081733 /nfs/dbraw/zinc/08/17/33/556081733.db2.gz YAAMSRRIMVKBFA-CXAGYDPISA-N 1 2 370.409 2.336 20 5 FEBDLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@]2(CCCOC2)O1 ZINC000369552348 556629088 /nfs/dbraw/zinc/62/90/88/556629088.db2.gz QUWRCIVBXWVYEA-SCLBCKFNSA-N 1 2 374.397 2.415 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@]2(CCCOC2)O1 ZINC000369552348 556629089 /nfs/dbraw/zinc/62/90/89/556629089.db2.gz QUWRCIVBXWVYEA-SCLBCKFNSA-N 1 2 374.397 2.415 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCn2c(nnc2-c2cccnc2)C1 ZINC000370726903 556950844 /nfs/dbraw/zinc/95/08/44/556950844.db2.gz NFMFTNKLRNWXBZ-UHFFFAOYSA-N 1 2 366.381 2.273 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCn2c(nnc2-c2cccnc2)C1 ZINC000370726903 556950847 /nfs/dbraw/zinc/95/08/47/556950847.db2.gz NFMFTNKLRNWXBZ-UHFFFAOYSA-N 1 2 366.381 2.273 20 5 FEBDLO Cc1cc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000372086333 557376573 /nfs/dbraw/zinc/37/65/73/557376573.db2.gz UPWJXHULZOWTLD-BBWFWOEESA-N 1 2 369.425 2.242 20 5 FEBDLO Cc1cc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000372086333 557376574 /nfs/dbraw/zinc/37/65/74/557376574.db2.gz UPWJXHULZOWTLD-BBWFWOEESA-N 1 2 369.425 2.242 20 5 FEBDLO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000372107391 557381550 /nfs/dbraw/zinc/38/15/50/557381550.db2.gz IXTSWLUWUVQDBV-ZACQAIPSSA-N 1 2 369.425 2.242 20 5 FEBDLO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000372107391 557381552 /nfs/dbraw/zinc/38/15/52/557381552.db2.gz IXTSWLUWUVQDBV-ZACQAIPSSA-N 1 2 369.425 2.242 20 5 FEBDLO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000372616936 557522126 /nfs/dbraw/zinc/52/21/26/557522126.db2.gz HJCPJZOROXICJZ-UHFFFAOYSA-N 1 2 368.309 2.014 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)NCCC1=CCCCC1 ZINC000373565866 557719016 /nfs/dbraw/zinc/71/90/16/557719016.db2.gz GJXKYBYXWKIQEI-INIZCTEOSA-N 1 2 361.446 2.435 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)NCCC1=CCCCC1 ZINC000373565866 557719018 /nfs/dbraw/zinc/71/90/18/557719018.db2.gz GJXKYBYXWKIQEI-INIZCTEOSA-N 1 2 361.446 2.435 20 5 FEBDLO COc1cc(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)cc([N+](=O)[O-])c1C ZINC000374353692 557870502 /nfs/dbraw/zinc/87/05/02/557870502.db2.gz VODNIAJUVMXCPP-OAHLLOKOSA-N 1 2 356.382 2.094 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)cn1 ZINC000521061503 562168780 /nfs/dbraw/zinc/16/87/80/562168780.db2.gz BXNXDEIBFGBCBH-UHFFFAOYSA-N 1 2 369.429 2.097 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)cn1 ZINC000521061503 562168781 /nfs/dbraw/zinc/16/87/81/562168781.db2.gz BXNXDEIBFGBCBH-UHFFFAOYSA-N 1 2 369.429 2.097 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@](F)(c3ccccc3Cl)C2)c1 ZINC000374525125 557894932 /nfs/dbraw/zinc/89/49/32/557894932.db2.gz XZKFGBMCGLRGLH-CZUORRHYSA-N 1 2 368.796 2.376 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@](F)(c3ccccc3Cl)C2)c1 ZINC000374525125 557894934 /nfs/dbraw/zinc/89/49/34/557894934.db2.gz XZKFGBMCGLRGLH-CZUORRHYSA-N 1 2 368.796 2.376 20 5 FEBDLO CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CCN(c2cccc[nH+]2)CC1 ZINC000374841774 557939398 /nfs/dbraw/zinc/93/93/98/557939398.db2.gz NNCYDJSPHHVONQ-UHFFFAOYSA-N 1 2 373.388 2.452 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@]2(CCCOC2)O1 ZINC000376019895 558114851 /nfs/dbraw/zinc/11/48/51/558114851.db2.gz CIZDUQYTHUCKKQ-FZKQIMNGSA-N 1 2 374.397 2.415 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@]2(CCCOC2)O1 ZINC000376019895 558114852 /nfs/dbraw/zinc/11/48/52/558114852.db2.gz CIZDUQYTHUCKKQ-FZKQIMNGSA-N 1 2 374.397 2.415 20 5 FEBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000377187146 558284339 /nfs/dbraw/zinc/28/43/39/558284339.db2.gz ZILJCRJMAVYZIX-QFYYESIMSA-N 1 2 353.806 2.422 20 5 FEBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000377187146 558284342 /nfs/dbraw/zinc/28/43/42/558284342.db2.gz ZILJCRJMAVYZIX-QFYYESIMSA-N 1 2 353.806 2.422 20 5 FEBDLO COC(=O)c1cc(C(=O)NCCCNc2cccc[nH+]2)cc([N+](=O)[O-])c1 ZINC000522289164 562196337 /nfs/dbraw/zinc/19/63/37/562196337.db2.gz SFYXJPCFBCZNIP-UHFFFAOYSA-N 1 2 358.354 2.008 20 5 FEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000408334653 558667273 /nfs/dbraw/zinc/66/72/73/558667273.db2.gz BRHGNJIDGMPGGI-KBPBESRZSA-N 1 2 355.460 2.315 20 5 FEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000408334653 558667274 /nfs/dbraw/zinc/66/72/74/558667274.db2.gz 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O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCO[C@H](C2CCC2)C1 ZINC000412451468 559036587 /nfs/dbraw/zinc/03/65/87/559036587.db2.gz XETKHKKXQPDQBB-KRWDZBQOSA-N 1 2 356.382 2.422 20 5 FEBDLO C[C@H](O)[C@H]1CCN(c2cc(NCCNc3ccc([N+](=O)[O-])cc3)[nH+]cn2)C1 ZINC000413028438 559070833 /nfs/dbraw/zinc/07/08/33/559070833.db2.gz DESUYBDRZSINFO-KBPBESRZSA-N 1 2 372.429 2.116 20 5 FEBDLO C[C@H](O)[C@H]1CCN(c2cc(NCCNc3ccc([N+](=O)[O-])cc3)nc[nH+]2)C1 ZINC000413028438 559070835 /nfs/dbraw/zinc/07/08/35/559070835.db2.gz DESUYBDRZSINFO-KBPBESRZSA-N 1 2 372.429 2.116 20 5 FEBDLO C[C@@H](O)[C@H]1CCN(c2cc(NCCc3cccc([N+](=O)[O-])c3)[nH+]cn2)C1 ZINC000413208705 559088514 /nfs/dbraw/zinc/08/85/14/559088514.db2.gz MZXOYVCWEDUAMB-HIFRSBDPSA-N 1 2 357.414 2.247 20 5 FEBDLO C[C@@H](O)[C@H]1CCN(c2cc(NCCc3cccc([N+](=O)[O-])c3)nc[nH+]2)C1 ZINC000413208705 559088516 /nfs/dbraw/zinc/08/85/16/559088516.db2.gz MZXOYVCWEDUAMB-HIFRSBDPSA-N 1 2 357.414 2.247 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)c2ccc[nH+]c2N(C)C)c1F ZINC000413586455 559118620 /nfs/dbraw/zinc/11/86/20/559118620.db2.gz LOPSIBPZPWMJDA-UHFFFAOYSA-N 1 2 362.361 2.409 20 5 FEBDLO CSc1ccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000413970331 559144133 /nfs/dbraw/zinc/14/41/33/559144133.db2.gz XBJCYRIEEGAQFJ-UHFFFAOYSA-N 1 2 353.444 2.157 20 5 FEBDLO COc1ccc(-c2ccc(C[N@@H+]3CCO[C@H]([C@H](C)O)C3)o2)c([N+](=O)[O-])c1 ZINC000414584887 559173527 /nfs/dbraw/zinc/17/35/27/559173527.db2.gz NERPCWXILFOZEO-SGTLLEGYSA-N 1 2 362.382 2.445 20 5 FEBDLO COc1ccc(-c2ccc(C[N@H+]3CCO[C@H]([C@H](C)O)C3)o2)c([N+](=O)[O-])c1 ZINC000414584887 559173529 /nfs/dbraw/zinc/17/35/29/559173529.db2.gz NERPCWXILFOZEO-SGTLLEGYSA-N 1 2 362.382 2.445 20 5 FEBDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000416495051 559317635 /nfs/dbraw/zinc/31/76/35/559317635.db2.gz KKQHHZNIUZVPTM-AWEZNQCLSA-N 1 2 355.460 2.316 20 5 FEBDLO Cc1cc(CNC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc(C)[nH+]1 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KVQHNPNZEQDREJ-HNNXBMFYSA-N 1 2 357.366 2.119 20 5 FEBDLO O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436647451 559947572 /nfs/dbraw/zinc/94/75/72/559947572.db2.gz KVQHNPNZEQDREJ-HNNXBMFYSA-N 1 2 357.366 2.119 20 5 FEBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000440645616 560015406 /nfs/dbraw/zinc/01/54/06/560015406.db2.gz QXYTZPVUMITQBM-KRWDZBQOSA-N 1 2 367.450 2.020 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000443789107 560092902 /nfs/dbraw/zinc/09/29/02/560092902.db2.gz XRXNQKWQOAODGT-LLVKDONJSA-N 1 2 368.390 2.095 20 5 FEBDLO COc1cccc(C(=O)NCCNc2ccc3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000444257148 560107032 /nfs/dbraw/zinc/10/70/32/560107032.db2.gz CQQGQCADIKGUBE-UHFFFAOYSA-N 1 2 366.377 2.994 20 5 FEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000444828965 560122056 /nfs/dbraw/zinc/12/20/56/560122056.db2.gz PMWJWBIPGPOARB-AWEZNQCLSA-N 1 2 371.328 2.087 20 5 FEBDLO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000445156151 560130004 /nfs/dbraw/zinc/13/00/04/560130004.db2.gz FDPXLWSHTQQKGV-UHFFFAOYSA-N 1 2 359.386 2.225 20 5 FEBDLO CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448560785 560190187 /nfs/dbraw/zinc/19/01/87/560190187.db2.gz JUAODPOLUWBAGY-CQSZACIVSA-N 1 2 372.381 2.196 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CCN1C ZINC000450494188 560264021 /nfs/dbraw/zinc/26/40/21/560264021.db2.gz JSKABBXBQLADBT-MRXNPFEDSA-N 1 2 352.398 2.370 20 5 FEBDLO COc1cc(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)c([N+](=O)[O-])cc1F ZINC000451432973 560306876 /nfs/dbraw/zinc/30/68/76/560306876.db2.gz QOYZEDWUYVTORB-UHFFFAOYSA-N 1 2 374.372 2.408 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)Nc1nc(C2CC2)no1 ZINC000451553158 560314471 /nfs/dbraw/zinc/31/44/71/560314471.db2.gz XRDUMQZWXPGTIB-AWEZNQCLSA-N 1 2 371.397 2.095 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)Nc1nc(C2CC2)no1 ZINC000451553158 560314472 /nfs/dbraw/zinc/31/44/72/560314472.db2.gz XRDUMQZWXPGTIB-AWEZNQCLSA-N 1 2 371.397 2.095 20 5 FEBDLO CCC[C@@]1(CO)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451822826 560330866 /nfs/dbraw/zinc/33/08/66/560330866.db2.gz ILEDZRVMEVYHBI-GOSISDBHSA-N 1 2 358.398 2.405 20 5 FEBDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000451923718 560337705 /nfs/dbraw/zinc/33/77/05/560337705.db2.gz AWDMUWZTVPRSHI-GFCCVEGCSA-N 1 2 352.416 2.034 20 5 FEBDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c2[nH+]ccn21 ZINC000451935240 560339042 /nfs/dbraw/zinc/33/90/42/560339042.db2.gz DBHOPFFJAJGTAB-ZYHUDNBSSA-N 1 2 373.394 2.324 20 5 FEBDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000451938381 560339436 /nfs/dbraw/zinc/33/94/36/560339436.db2.gz WZHIULBGPFWWTD-LBPRGKRZSA-N 1 2 352.416 2.468 20 5 FEBDLO C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c2[nH+]ccn21 ZINC000456435038 560520504 /nfs/dbraw/zinc/52/05/04/560520504.db2.gz VDXDOADLAFHTFP-TZMCWYRMSA-N 1 2 371.397 2.064 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000457962451 560596704 /nfs/dbraw/zinc/59/67/04/560596704.db2.gz QEYBEBFWNOEGDZ-PBHICJAKSA-N 1 2 368.393 2.422 20 5 FEBDLO CC(C)CN(C(=O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)C(C)C ZINC000459521640 560691741 /nfs/dbraw/zinc/69/17/41/560691741.db2.gz ZPLGHDNXQZQABX-UHFFFAOYSA-N 1 2 363.462 2.005 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000464276271 560837575 /nfs/dbraw/zinc/83/75/75/560837575.db2.gz BMOXQOZWSAUDEO-UHFFFAOYSA-N 1 2 368.397 2.003 20 5 FEBDLO COc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C)O[C@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000470134389 560975030 /nfs/dbraw/zinc/97/50/30/560975030.db2.gz PYRYEIKEGISNNK-DOMZBBRYSA-N 1 2 362.382 2.445 20 5 FEBDLO COc1ccc(-c2ccc(C[N@H+]3C[C@@H](C)O[C@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000470134389 560975031 /nfs/dbraw/zinc/97/50/31/560975031.db2.gz PYRYEIKEGISNNK-DOMZBBRYSA-N 1 2 362.382 2.445 20 5 FEBDLO CC[C@@H]1C[N@H+](CCNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000470439436 560981926 /nfs/dbraw/zinc/98/19/26/560981926.db2.gz WGUNAGKXIQFKII-GXTWGEPZSA-N 1 2 353.394 2.064 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000470439436 560981927 /nfs/dbraw/zinc/98/19/27/560981927.db2.gz WGUNAGKXIQFKII-GXTWGEPZSA-N 1 2 353.394 2.064 20 5 FEBDLO CCN1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000471063893 560997190 /nfs/dbraw/zinc/99/71/90/560997190.db2.gz WLARNIFGZZDGHX-CZUORRHYSA-N 1 2 372.429 2.024 20 5 FEBDLO CCN1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000471091109 560998243 /nfs/dbraw/zinc/99/82/43/560998243.db2.gz QLMJRWXUHWOOOI-CJNGLKHVSA-N 1 2 372.429 2.024 20 5 FEBDLO C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000473914860 561060614 /nfs/dbraw/zinc/06/06/14/561060614.db2.gz XVKOSMUWXKGMSL-SECBINFHSA-N 1 2 368.242 2.274 20 5 FEBDLO C[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000473914860 561060615 /nfs/dbraw/zinc/06/06/15/561060615.db2.gz XVKOSMUWXKGMSL-SECBINFHSA-N 1 2 368.242 2.274 20 5 FEBDLO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000475293002 561094266 /nfs/dbraw/zinc/09/42/66/561094266.db2.gz IZZROIMELWSUDB-PXAZEXFGSA-N 1 2 364.398 2.146 20 5 FEBDLO COC(=O)COc1ccc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000475293002 561094267 /nfs/dbraw/zinc/09/42/67/561094267.db2.gz IZZROIMELWSUDB-PXAZEXFGSA-N 1 2 364.398 2.146 20 5 FEBDLO COc1cc(C[NH2+]Cc2ncnn2-c2ccccc2)c([N+](=O)[O-])cc1O ZINC000475293802 561094341 /nfs/dbraw/zinc/09/43/41/561094341.db2.gz KYSLVWLEDVCEDT-UHFFFAOYSA-N 1 2 355.354 2.180 20 5 FEBDLO COc1cc(C[NH2+]Cc2ncnn2-c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000475293255 561094353 /nfs/dbraw/zinc/09/43/53/561094353.db2.gz JSCLWEMGOPSHFF-UHFFFAOYSA-N 1 2 369.381 2.483 20 5 FEBDLO CCn1cc(C[N@H+](CCO)Cc2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC000475510888 561099134 /nfs/dbraw/zinc/09/91/34/561099134.db2.gz JSNXEXOAILSZMQ-UHFFFAOYSA-N 1 2 370.356 2.407 20 5 FEBDLO CCn1cc(C[N@@H+](CCO)Cc2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC000475510888 561099135 /nfs/dbraw/zinc/09/91/35/561099135.db2.gz JSNXEXOAILSZMQ-UHFFFAOYSA-N 1 2 370.356 2.407 20 5 FEBDLO CC[C@H]1C[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000475574361 561100086 /nfs/dbraw/zinc/10/00/86/561100086.db2.gz WOPGOVOBCZOLNT-JSGCOSHPSA-N 1 2 352.387 2.146 20 5 FEBDLO CC[C@H]1C[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000475574361 561100087 /nfs/dbraw/zinc/10/00/87/561100087.db2.gz WOPGOVOBCZOLNT-JSGCOSHPSA-N 1 2 352.387 2.146 20 5 FEBDLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000532433089 562477802 /nfs/dbraw/zinc/47/78/02/562477802.db2.gz SZGKWOYJXTUTKH-HZPDHXFCSA-N 1 2 351.378 2.107 20 5 FEBDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)[nH]1 ZINC000540866083 562594844 /nfs/dbraw/zinc/59/48/44/562594844.db2.gz WODPGGGWKCCEAB-CYBMUJFWSA-N 1 2 358.402 2.148 20 5 FEBDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)[nH]1 ZINC000540866083 562594845 /nfs/dbraw/zinc/59/48/45/562594845.db2.gz WODPGGGWKCCEAB-CYBMUJFWSA-N 1 2 358.402 2.148 20 5 FEBDLO CC1(C[NH+]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000556126273 674389103 /nfs/dbraw/zinc/38/91/03/674389103.db2.gz HMGYWICUUQCYBM-UHFFFAOYSA-N 1 2 353.444 2.091 20 5 FEBDLO COC(=O)c1ccc(F)c2c1C[N@H+](CCn1c(C)ncc1[N+](=O)[O-])CC2 ZINC000602914036 568011849 /nfs/dbraw/zinc/01/18/49/568011849.db2.gz BWKFMYUAWULSBT-UHFFFAOYSA-N 1 2 362.361 2.084 20 5 FEBDLO COC(=O)c1ccc(F)c2c1C[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])CC2 ZINC000602914036 568011850 /nfs/dbraw/zinc/01/18/50/568011850.db2.gz BWKFMYUAWULSBT-UHFFFAOYSA-N 1 2 362.361 2.084 20 5 FEBDLO COc1c(C)[nH+]c(C2CC2)nc1N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000568782092 568207681 /nfs/dbraw/zinc/20/76/81/568207681.db2.gz IINLVNKFWKCVBL-UHFFFAOYSA-N 1 2 370.413 2.301 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1C ZINC000609134677 675911443 /nfs/dbraw/zinc/91/14/43/675911443.db2.gz GKHFRHKMHITOKI-CQSZACIVSA-N 1 2 364.427 2.434 20 5 FEBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000609676228 675932117 /nfs/dbraw/zinc/93/21/17/675932117.db2.gz TUHDFFOMFGNLNT-UHFFFAOYSA-N 1 2 358.379 2.259 20 5 FEBDLO O=C(NC[C@H](O)c1ccsc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000155509842 672234793 /nfs/dbraw/zinc/23/47/93/672234793.db2.gz NLRQJWNSARPNGN-HNNXBMFYSA-N 1 2 358.379 2.305 20 5 FEBDLO O=[N+]([O-])c1cc(I)cc(C[NH2+]Cc2cc[nH]n2)c1 ZINC000589312525 672521554 /nfs/dbraw/zinc/52/15/54/672521554.db2.gz QEDYEUNUQWYXHD-UHFFFAOYSA-N 1 2 358.139 2.212 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594485311 673089169 /nfs/dbraw/zinc/08/91/69/673089169.db2.gz ZSOHODIRYQIUJG-STQMWFEESA-N 1 2 357.407 2.029 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594485311 673089172 /nfs/dbraw/zinc/08/91/72/673089172.db2.gz ZSOHODIRYQIUJG-STQMWFEESA-N 1 2 357.407 2.029 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1nnc(C)s1 ZINC000595884028 673334169 /nfs/dbraw/zinc/33/41/69/673334169.db2.gz AKYOJJSZZCXOPW-UHFFFAOYSA-N 1 2 365.415 2.224 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1nnc(C)s1 ZINC000595884028 673334170 /nfs/dbraw/zinc/33/41/70/673334170.db2.gz AKYOJJSZZCXOPW-UHFFFAOYSA-N 1 2 365.415 2.224 20 5 FEBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597709383 673501061 /nfs/dbraw/zinc/50/10/61/673501061.db2.gz IRSVWNAHBYTIAQ-CQSZACIVSA-N 1 2 353.806 2.185 20 5 FEBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597710867 673501392 /nfs/dbraw/zinc/50/13/92/673501392.db2.gz XPDRTIDXYAFMMW-HNNXBMFYSA-N 1 2 365.455 2.010 20 5 FEBDLO COc1cc(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000598642349 673593438 /nfs/dbraw/zinc/59/34/38/673593438.db2.gz GTCUFZVVVKXBAO-HNNXBMFYSA-N 1 2 362.407 2.363 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2c(F)cccc2F)cc1 ZINC000542689941 673597437 /nfs/dbraw/zinc/59/74/37/673597437.db2.gz BLHKPPASKYMNFW-UHFFFAOYSA-N 1 2 356.350 2.437 20 5 FEBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598949652 673624801 /nfs/dbraw/zinc/62/48/01/673624801.db2.gz ZXSQNOSKFYYGGA-SNVBAGLBSA-N 1 2 352.803 2.278 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cccc1[N+](=O)[O-] ZINC000599631988 673699775 /nfs/dbraw/zinc/69/97/75/673699775.db2.gz NUIGAKIZDMYIML-VKALNGJKSA-N 1 2 365.455 2.216 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cccc1[N+](=O)[O-] ZINC000599631988 673699780 /nfs/dbraw/zinc/69/97/80/673699780.db2.gz NUIGAKIZDMYIML-VKALNGJKSA-N 1 2 365.455 2.216 20 5 FEBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599930814 673728641 /nfs/dbraw/zinc/72/86/41/673728641.db2.gz TVJKVOOMIJSGIW-SECBINFHSA-N 1 2 365.187 2.299 20 5 FEBDLO CN1CC[N@H+](C)C[C@H]1c1noc(Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000545087206 673744151 /nfs/dbraw/zinc/74/41/51/673744151.db2.gz ZFIZYBQNOFDFGI-ZDUSSCGKSA-N 1 2 351.794 2.140 20 5 FEBDLO CN1CC[N@@H+](C)C[C@H]1c1noc(Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000545087206 673744154 /nfs/dbraw/zinc/74/41/54/673744154.db2.gz ZFIZYBQNOFDFGI-ZDUSSCGKSA-N 1 2 351.794 2.140 20 5 FEBDLO COC(=O)C[C@](C)([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cccc(F)c1 ZINC000602830792 673911869 /nfs/dbraw/zinc/91/18/69/673911869.db2.gz XBUQGTPXCDNOJA-INIZCTEOSA-N 1 2 350.350 2.036 20 5 FEBDLO CC(C)(C)[S@](=O)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000823276937 675541511 /nfs/dbraw/zinc/54/15/11/675541511.db2.gz PXNGMHQOLCVNIW-RUZDIDTESA-N 1 2 364.427 2.058 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000617231365 676275843 /nfs/dbraw/zinc/27/58/43/676275843.db2.gz HYTSYXQBCZHUAQ-AWEZNQCLSA-N 1 2 364.427 2.434 20 5 FEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](OCCO)C2)c1Br ZINC000839494999 680756741 /nfs/dbraw/zinc/75/67/41/680756741.db2.gz QOTQYIOSDSYKKQ-LBPRGKRZSA-N 1 2 359.220 2.331 20 5 FEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](OCCO)C2)c1Br ZINC000839494999 680756742 /nfs/dbraw/zinc/75/67/42/680756742.db2.gz QOTQYIOSDSYKKQ-LBPRGKRZSA-N 1 2 359.220 2.331 20 5 FEBDLO COC(=O)[C@@]1(C)CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000839667170 680770377 /nfs/dbraw/zinc/77/03/77/680770377.db2.gz QJKLTJJEGZBNDN-INIZCTEOSA-N 1 2 369.805 2.462 20 5 FEBDLO COC(=O)[C@@]1(C)CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000839667170 680770378 /nfs/dbraw/zinc/77/03/78/680770378.db2.gz QJKLTJJEGZBNDN-INIZCTEOSA-N 1 2 369.805 2.462 20 5 FEBDLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1F ZINC000764297175 680805973 /nfs/dbraw/zinc/80/59/73/680805973.db2.gz DNUQSLDQPWGYKY-HZPDHXFCSA-N 1 2 351.378 2.107 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2cccc(F)c2Cl)CC1 ZINC000981136571 680217149 /nfs/dbraw/zinc/21/71/49/680217149.db2.gz AOQLDMMTMMAEHC-TZMCWYRMSA-N 1 2 355.797 2.179 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](Cc2cccc(F)c2Cl)CC1 ZINC000981136571 680217152 /nfs/dbraw/zinc/21/71/52/680217152.db2.gz AOQLDMMTMMAEHC-TZMCWYRMSA-N 1 2 355.797 2.179 20 5 FEBDLO O=C(NCC1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001398377 680459811 /nfs/dbraw/zinc/45/98/11/680459811.db2.gz CKLQQORIKAKDRS-CZUORRHYSA-N 1 2 369.824 2.473 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1Cl ZINC000836759391 680508897 /nfs/dbraw/zinc/50/88/97/680508897.db2.gz NETNPTJHNHHBCP-LBPRGKRZSA-N 1 2 353.806 2.103 20 5 FEBDLO CC1(C)C[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000770011839 681003052 /nfs/dbraw/zinc/00/30/52/681003052.db2.gz VOVQMBWYMAZDLX-UHFFFAOYSA-N 1 2 356.810 2.481 20 5 FEBDLO CC1(C)C[N@@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000770011839 681003054 /nfs/dbraw/zinc/00/30/54/681003054.db2.gz VOVQMBWYMAZDLX-UHFFFAOYSA-N 1 2 356.810 2.481 20 5 FEBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000774515478 681197699 /nfs/dbraw/zinc/19/76/99/681197699.db2.gz HWZWABCHHXAPJO-SECBINFHSA-N 1 2 360.342 2.288 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000933657859 681446638 /nfs/dbraw/zinc/44/66/38/681446638.db2.gz BNNVWXIBLJHAHT-AWEZNQCLSA-N 1 2 365.455 2.254 20 5 FEBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000874705938 685450028 /nfs/dbraw/zinc/45/00/28/685450028.db2.gz INAKWZQHWONOSI-GFCCVEGCSA-N 1 2 373.812 2.157 20 5 FEBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000874705938 685450033 /nfs/dbraw/zinc/45/00/33/685450033.db2.gz INAKWZQHWONOSI-GFCCVEGCSA-N 1 2 373.812 2.157 20 5 FEBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778346768 681601533 /nfs/dbraw/zinc/60/15/33/681601533.db2.gz QYALIKNXVRKNEF-UHFFFAOYSA-N 1 2 354.351 2.177 20 5 FEBDLO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000851820919 682147360 /nfs/dbraw/zinc/14/73/60/682147360.db2.gz KUVQJEGMGXSSHZ-SECBINFHSA-N 1 2 365.814 2.150 20 5 FEBDLO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000851820919 682147368 /nfs/dbraw/zinc/14/73/68/682147368.db2.gz KUVQJEGMGXSSHZ-SECBINFHSA-N 1 2 365.814 2.150 20 5 FEBDLO COC(=O)[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)[C@H]1C ZINC000787237005 682444135 /nfs/dbraw/zinc/44/41/35/682444135.db2.gz FAEJLGIXVCQICD-CABZTGNLSA-N 1 2 352.778 2.439 20 5 FEBDLO COC(=O)[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)[C@H]1C ZINC000787237005 682444138 /nfs/dbraw/zinc/44/41/38/682444138.db2.gz FAEJLGIXVCQICD-CABZTGNLSA-N 1 2 352.778 2.439 20 5 FEBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CCn2c[nH+]cc2C1 ZINC000857944961 682926483 /nfs/dbraw/zinc/92/64/83/682926483.db2.gz RTZIQICPMBPXCD-JTQLQIEISA-N 1 2 352.753 2.258 20 5 FEBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000860196619 683214875 /nfs/dbraw/zinc/21/48/75/683214875.db2.gz FDMAXICNTUKTHY-LLVKDONJSA-N 1 2 361.851 2.009 20 5 FEBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000860196619 683214880 /nfs/dbraw/zinc/21/48/80/683214880.db2.gz FDMAXICNTUKTHY-LLVKDONJSA-N 1 2 361.851 2.009 20 5 FEBDLO COc1cccc(C(=O)NCc2nc(C[NH+](C)C)cs2)c1[N+](=O)[O-] ZINC000927764510 683307216 /nfs/dbraw/zinc/30/72/16/683307216.db2.gz AGGYDYTYFNNKSJ-UHFFFAOYSA-N 1 2 350.400 2.052 20 5 FEBDLO C[NH+](C)Cc1csc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])n1 ZINC000927771206 683309146 /nfs/dbraw/zinc/30/91/46/683309146.db2.gz IHKLXYNYPPAAEP-UHFFFAOYSA-N 1 2 364.427 2.198 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](c3ccccn3)C2)cc1 ZINC000799192914 683435356 /nfs/dbraw/zinc/43/53/56/683435356.db2.gz FBXDPLQFYJKEIK-CQSZACIVSA-N 1 2 361.423 2.253 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](c3ccccn3)C2)cc1 ZINC000799192914 683435358 /nfs/dbraw/zinc/43/53/58/683435358.db2.gz FBXDPLQFYJKEIK-CQSZACIVSA-N 1 2 361.423 2.253 20 5 FEBDLO CO[C@]1(CO)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930965869 683811917 /nfs/dbraw/zinc/81/19/17/683811917.db2.gz WNXWXYVHUPBHID-CQSZACIVSA-N 1 2 359.220 2.331 20 5 FEBDLO CO[C@]1(CO)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930965869 683811926 /nfs/dbraw/zinc/81/19/26/683811926.db2.gz WNXWXYVHUPBHID-CQSZACIVSA-N 1 2 359.220 2.331 20 5 FEBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000879502571 686838908 /nfs/dbraw/zinc/83/89/08/686838908.db2.gz ZJQSULFDRYACHT-NSHDSACASA-N 1 2 356.810 2.481 20 5 FEBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000879502571 686838918 /nfs/dbraw/zinc/83/89/18/686838918.db2.gz ZJQSULFDRYACHT-NSHDSACASA-N 1 2 356.810 2.481 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000888288427 688578397 /nfs/dbraw/zinc/57/83/97/688578397.db2.gz LVEYQTOVHLUTQZ-UHFFFAOYSA-N 1 2 356.810 2.353 20 5 FEBDLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000898499992 690195767 /nfs/dbraw/zinc/19/57/67/690195767.db2.gz SYNHBYCBIKQZOE-LLVKDONJSA-N 1 2 361.320 2.360 20 5 FEBDLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000898499992 690195772 /nfs/dbraw/zinc/19/57/72/690195772.db2.gz SYNHBYCBIKQZOE-LLVKDONJSA-N 1 2 361.320 2.360 20 5 FEBDLO Cc1cnc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c([N+](=O)[O-])c1 ZINC001165009196 721695273 /nfs/dbraw/zinc/69/52/73/721695273.db2.gz OAUDGUHKEDEFFG-UHFFFAOYSA-N 1 2 359.434 2.140 20 5 FEBDLO Cc1cnc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c([N+](=O)[O-])c1 ZINC001165009196 721695277 /nfs/dbraw/zinc/69/52/77/721695277.db2.gz OAUDGUHKEDEFFG-UHFFFAOYSA-N 1 2 359.434 2.140 20 5 FEBDLO O=[N+]([O-])c1c(NCc2cc[nH+]c(N3CCOCC3)c2)nc2sccn21 ZINC000026717590 539791925 /nfs/dbraw/zinc/79/19/25/539791925.db2.gz PXNIKRHNIJJUNO-UHFFFAOYSA-N 1 2 360.399 2.148 20 5 FEBDLO COc1cc(C(=O)NCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])cc1OC ZINC000028832963 539837588 /nfs/dbraw/zinc/83/75/88/539837588.db2.gz QEEWDBCRKHENQW-UHFFFAOYSA-N 1 2 356.338 2.190 20 5 FEBDLO NC(=O)c1ccc(F)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000044629754 540133258 /nfs/dbraw/zinc/13/32/58/540133258.db2.gz MXGBXMSCCZCTQN-UHFFFAOYSA-N 1 2 369.312 2.271 20 5 FEBDLO CC1CC[NH+](Cc2csc(NC(=O)Cn3cc([N+](=O)[O-])cn3)n2)CC1 ZINC000044670358 540135677 /nfs/dbraw/zinc/13/56/77/540135677.db2.gz YIGFEVPEYCATLW-UHFFFAOYSA-N 1 2 364.431 2.118 20 5 FEBDLO CNC(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000050040357 540397191 /nfs/dbraw/zinc/39/71/91/540397191.db2.gz KEEQZCSVFCZIGJ-UHFFFAOYSA-N 1 2 365.349 2.392 20 5 FEBDLO CC(=O)N1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000053815490 540556318 /nfs/dbraw/zinc/55/63/18/540556318.db2.gz DINGUQSZVPWEHN-GFCCVEGCSA-N 1 2 359.386 2.260 20 5 FEBDLO CC(=O)N1CCC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000053815490 540556321 /nfs/dbraw/zinc/55/63/21/540556321.db2.gz DINGUQSZVPWEHN-GFCCVEGCSA-N 1 2 359.386 2.260 20 5 FEBDLO O=C(C[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1)N1CCCCCC1 ZINC000054172953 540573190 /nfs/dbraw/zinc/57/31/90/540573190.db2.gz MECCOZQFMOFXOX-UHFFFAOYSA-N 1 2 366.487 2.177 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)s1 ZINC000064242789 541196148 /nfs/dbraw/zinc/19/61/48/541196148.db2.gz RHBJYYZYTLJXBI-LLVKDONJSA-N 1 2 371.440 2.365 20 5 FEBDLO CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000067417571 541460544 /nfs/dbraw/zinc/46/05/44/541460544.db2.gz XHJKQPJGCQBDNC-LBPRGKRZSA-N 1 2 368.821 2.035 20 5 FEBDLO CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000067417571 541460547 /nfs/dbraw/zinc/46/05/47/541460547.db2.gz XHJKQPJGCQBDNC-LBPRGKRZSA-N 1 2 368.821 2.035 20 5 FEBDLO O=C(NC[C@@H](O)C1CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000069495983 541691440 /nfs/dbraw/zinc/69/14/40/541691440.db2.gz LLXITUUYCUVJGU-QGZVFWFLSA-N 1 2 358.398 2.452 20 5 FEBDLO CC[C@@H](C)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OC ZINC000070669066 541734750 /nfs/dbraw/zinc/73/47/50/541734750.db2.gz XCTWUZZYUNDPLR-IAQYHMDHSA-N 1 2 360.370 2.098 20 5 FEBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000070748906 541739891 /nfs/dbraw/zinc/73/98/91/541739891.db2.gz LBORZRNJPDTMAV-INIZCTEOSA-N 1 2 374.441 2.106 20 5 FEBDLO Cc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664951 541847550 /nfs/dbraw/zinc/84/75/50/541847550.db2.gz IZSHEVCBGARQPB-CQSZACIVSA-N 1 2 355.398 2.423 20 5 FEBDLO Cc1ccccc1NC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664951 541847554 /nfs/dbraw/zinc/84/75/54/541847554.db2.gz IZSHEVCBGARQPB-CQSZACIVSA-N 1 2 355.398 2.423 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CCCCCF)CC1 ZINC000551381912 674141699 /nfs/dbraw/zinc/14/16/99/674141699.db2.gz AJOMFFAHWOINFE-UHFFFAOYSA-N 1 2 373.450 2.349 20 5 FEBDLO CC1CC[NH+](Cc2csc(NC(=O)Cn3cnc([N+](=O)[O-])c3)n2)CC1 ZINC000077234466 542357627 /nfs/dbraw/zinc/35/76/27/542357627.db2.gz CVVXAXLGYZHLKE-UHFFFAOYSA-N 1 2 364.431 2.118 20 5 FEBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000087065515 542741312 /nfs/dbraw/zinc/74/13/12/542741312.db2.gz FXZORBIKWBDNJC-UHFFFAOYSA-N 1 2 370.409 2.075 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)c1 ZINC000088700349 542755365 /nfs/dbraw/zinc/75/53/65/542755365.db2.gz PPSUHCPSKSFWEO-MRXNPFEDSA-N 1 2 360.458 2.426 20 5 FEBDLO O=C(C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)NC1CC1 ZINC000018059259 132373764 /nfs/dbraw/zinc/37/37/64/132373764.db2.gz QJZXDRJNPFZJAI-UHFFFAOYSA-N 1 2 372.347 2.014 20 5 FEBDLO CC(C)(C(=O)NCc1ccccc1-n1cc[nH+]c1)n1cc([N+](=O)[O-])cn1 ZINC000091211792 542799146 /nfs/dbraw/zinc/79/91/46/542799146.db2.gz YRVHINRGNWUWRW-UHFFFAOYSA-N 1 2 354.370 2.029 20 5 FEBDLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2nncn2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093809597 542941132 /nfs/dbraw/zinc/94/11/32/542941132.db2.gz AWOREHWNTIODBX-MRXNPFEDSA-N 1 2 367.413 2.461 20 5 FEBDLO Cn1cc(C[N@H+]2CCC[C@@H]2c2nncn2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093809597 542941135 /nfs/dbraw/zinc/94/11/35/542941135.db2.gz AWOREHWNTIODBX-MRXNPFEDSA-N 1 2 367.413 2.461 20 5 FEBDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000104669967 543136907 /nfs/dbraw/zinc/13/69/07/543136907.db2.gz GRFBZGSGXZISTG-LLVKDONJSA-N 1 2 373.356 2.305 20 5 FEBDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000104669967 543136908 /nfs/dbraw/zinc/13/69/08/543136908.db2.gz GRFBZGSGXZISTG-LLVKDONJSA-N 1 2 373.356 2.305 20 5 FEBDLO C[C@H]([C@H](C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000105159666 543162727 /nfs/dbraw/zinc/16/27/27/543162727.db2.gz LLELEKGDFAELIM-MELADBBJSA-N 1 2 350.419 2.064 20 5 FEBDLO C[C@@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000124609304 543832504 /nfs/dbraw/zinc/83/25/04/543832504.db2.gz KATSLAODBIZVAQ-PBHICJAKSA-N 1 2 357.414 2.337 20 5 FEBDLO C[C@@H]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000126416751 543934844 /nfs/dbraw/zinc/93/48/44/543934844.db2.gz GQZKQMOLHLNWAD-CJNGLKHVSA-N 1 2 372.381 2.092 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130000444 544134801 /nfs/dbraw/zinc/13/48/01/544134801.db2.gz PJDRLLZJPZGRDU-ZDUSSCGKSA-N 1 2 356.382 2.397 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000130027234 544136016 /nfs/dbraw/zinc/13/60/16/544136016.db2.gz ODWOAHUPZALJHN-UHFFFAOYSA-N 1 2 365.393 2.429 20 5 FEBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000131256345 544182597 /nfs/dbraw/zinc/18/25/97/544182597.db2.gz RMXJFDGBNCSVNH-UHFFFAOYSA-N 1 2 373.862 2.497 20 5 FEBDLO C[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000153416849 544773214 /nfs/dbraw/zinc/77/32/14/544773214.db2.gz WNHJULFQRIQSOQ-AWEZNQCLSA-N 1 2 357.414 2.458 20 5 FEBDLO C[C@@H]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000184678405 327878614 /nfs/dbraw/zinc/87/86/14/327878614.db2.gz SQNVNZVYXJJURW-CJNGLKHVSA-N 1 2 364.427 2.204 20 5 FEBDLO Cc1cc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3O)CC2)nc(C)[nH+]1 ZINC000184850831 327885775 /nfs/dbraw/zinc/88/57/75/327885775.db2.gz PBSMEKJYFXDHGN-UHFFFAOYSA-N 1 2 371.397 2.106 20 5 FEBDLO CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000184784759 327883230 /nfs/dbraw/zinc/88/32/30/327883230.db2.gz PRPDRSVEMBTJRF-RYUDHWBXSA-N 1 2 360.370 2.098 20 5 FEBDLO COc1cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000187447519 328026131 /nfs/dbraw/zinc/02/61/31/328026131.db2.gz TZXSFKQIFCWMLF-SKDRFNHKSA-N 1 2 373.356 2.291 20 5 FEBDLO COc1cc(C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000187447519 328026132 /nfs/dbraw/zinc/02/61/32/328026132.db2.gz TZXSFKQIFCWMLF-SKDRFNHKSA-N 1 2 373.356 2.291 20 5 FEBDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000188786847 328110712 /nfs/dbraw/zinc/11/07/12/328110712.db2.gz MVGAMSGRZZWJJZ-NVXWUHKLSA-N 1 2 360.366 2.353 20 5 FEBDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000188786847 328110714 /nfs/dbraw/zinc/11/07/14/328110714.db2.gz MVGAMSGRZZWJJZ-NVXWUHKLSA-N 1 2 360.366 2.353 20 5 FEBDLO COC[C@H]1C[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC000189401813 328145771 /nfs/dbraw/zinc/14/57/71/328145771.db2.gz BUOCXLBPCFVVGC-SLEUVZQESA-N 1 2 362.386 2.442 20 5 FEBDLO COC[C@H]1C[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC000189401813 328145772 /nfs/dbraw/zinc/14/57/72/328145772.db2.gz BUOCXLBPCFVVGC-SLEUVZQESA-N 1 2 362.386 2.442 20 5 FEBDLO O=[N+]([O-])c1cnc(NCC[NH+]2CCN(c3ccc(F)cc3)CC2)s1 ZINC000190315547 328199974 /nfs/dbraw/zinc/19/99/74/328199974.db2.gz ZGCJNLROOSVLSM-UHFFFAOYSA-N 1 2 351.407 2.425 20 5 FEBDLO CCc1nnc(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000190656557 328222675 /nfs/dbraw/zinc/22/26/75/328222675.db2.gz XBCJTYYQUSHKPW-LBPRGKRZSA-N 1 2 372.429 2.482 20 5 FEBDLO CCc1n[nH]c(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000190656557 328222677 /nfs/dbraw/zinc/22/26/77/328222677.db2.gz XBCJTYYQUSHKPW-LBPRGKRZSA-N 1 2 372.429 2.482 20 5 FEBDLO CCc1nc(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000190656557 328222678 /nfs/dbraw/zinc/22/26/78/328222678.db2.gz XBCJTYYQUSHKPW-LBPRGKRZSA-N 1 2 372.429 2.482 20 5 FEBDLO Cc1c(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cccc1[N+](=O)[O-] ZINC000011115920 324369192 /nfs/dbraw/zinc/36/91/92/324369192.db2.gz DIGZYPWUXFJVND-UHFFFAOYSA-N 1 2 356.382 2.065 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000029158281 324444890 /nfs/dbraw/zinc/44/48/90/324444890.db2.gz IFDZRIAMRVLMIK-UHFFFAOYSA-N 1 2 374.441 2.176 20 5 FEBDLO Cc1cccc(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000046719303 324614403 /nfs/dbraw/zinc/61/44/03/324614403.db2.gz BYDKUYJHJLAHGP-CQSZACIVSA-N 1 2 370.409 2.453 20 5 FEBDLO CC1(C)[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H]2CCO[C@@H]21 ZINC000078158168 325033845 /nfs/dbraw/zinc/03/38/45/325033845.db2.gz ICCYJNRTMNVZIB-RCBQFDQVSA-N 1 2 356.382 2.324 20 5 FEBDLO NC(=O)C1CCN(c2[nH+]cccc2CNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000078445568 325046174 /nfs/dbraw/zinc/04/61/74/325046174.db2.gz OLRPAQXXGDCATO-UHFFFAOYSA-N 1 2 373.388 2.443 20 5 FEBDLO Cc1ccc(S(=O)(=O)N(C)c2ccc[nH+]c2N(C)C)cc1[N+](=O)[O-] ZINC000080280132 325126683 /nfs/dbraw/zinc/12/66/83/325126683.db2.gz ARNKJJQBLNVISL-UHFFFAOYSA-N 1 2 350.400 2.189 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@](O)(C(F)(F)F)C3)n2)cc1 ZINC000081085058 325158732 /nfs/dbraw/zinc/15/87/32/325158732.db2.gz IWOWGWZFOJOMGY-CYBMUJFWSA-N 1 2 358.276 2.144 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@](O)(C(F)(F)F)C3)n2)cc1 ZINC000081085058 325158735 /nfs/dbraw/zinc/15/87/35/325158735.db2.gz IWOWGWZFOJOMGY-CYBMUJFWSA-N 1 2 358.276 2.144 20 5 FEBDLO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](c2ccc(F)cc2)O1 ZINC000090550686 325362549 /nfs/dbraw/zinc/36/25/49/325362549.db2.gz JTKCNMNAKZTMIP-SUMWQHHRSA-N 1 2 361.373 2.358 20 5 FEBDLO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](c2ccc(F)cc2)O1 ZINC000090550686 325362550 /nfs/dbraw/zinc/36/25/50/325362550.db2.gz JTKCNMNAKZTMIP-SUMWQHHRSA-N 1 2 361.373 2.358 20 5 FEBDLO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000110957870 325697526 /nfs/dbraw/zinc/69/75/26/325697526.db2.gz YVHNEPPZGWYFTE-AWEZNQCLSA-N 1 2 351.378 2.061 20 5 FEBDLO CC(C)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000117574332 326064396 /nfs/dbraw/zinc/06/43/96/326064396.db2.gz XCFQXXIUJRAUDO-UHFFFAOYSA-N 1 2 355.822 2.018 20 5 FEBDLO O=C([C@H]1CCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-])N1CCOCC1 ZINC000118956772 326113161 /nfs/dbraw/zinc/11/31/61/326113161.db2.gz SGPKGAAGCFUVJN-MRXNPFEDSA-N 1 2 367.833 2.462 20 5 FEBDLO O=C([C@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-])N1CCOCC1 ZINC000118956772 326113162 /nfs/dbraw/zinc/11/31/62/326113162.db2.gz SGPKGAAGCFUVJN-MRXNPFEDSA-N 1 2 367.833 2.462 20 5 FEBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000119166019 326133306 /nfs/dbraw/zinc/13/33/06/326133306.db2.gz FUQLYIHHHMERLB-GFCCVEGCSA-N 1 2 368.397 2.300 20 5 FEBDLO CC(=O)N(C)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000119854912 326205161 /nfs/dbraw/zinc/20/51/61/326205161.db2.gz APUURVNRNMHNSH-ZDUSSCGKSA-N 1 2 362.430 2.173 20 5 FEBDLO Cc1cc[nH+]c(N2CCN(CC(=O)Nc3c(C)cccc3[N+](=O)[O-])CC2)c1 ZINC000119971130 326217386 /nfs/dbraw/zinc/21/73/86/326217386.db2.gz MZOUNFBUWSRVAD-UHFFFAOYSA-N 1 2 369.425 2.367 20 5 FEBDLO Cc1cc[nH+]c(N2CCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000120026902 326222902 /nfs/dbraw/zinc/22/29/02/326222902.db2.gz QHCQOROOBNHSMK-OAHLLOKOSA-N 1 2 369.425 2.447 20 5 FEBDLO CC(C)OC(=O)CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000120151095 326235212 /nfs/dbraw/zinc/23/52/12/326235212.db2.gz XEFORZWRNOABMX-UHFFFAOYSA-N 1 2 360.370 2.242 20 5 FEBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000120310765 326248488 /nfs/dbraw/zinc/24/84/88/326248488.db2.gz QEZLDELOEHJNNK-AWEZNQCLSA-N 1 2 371.441 2.489 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)s1 ZINC000123293744 326426568 /nfs/dbraw/zinc/42/65/68/326426568.db2.gz CPGFVNGEKOAJMR-UHFFFAOYSA-N 1 2 359.473 2.295 20 5 FEBDLO Cc1sc(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000125507553 326472889 /nfs/dbraw/zinc/47/28/89/326472889.db2.gz LEMUYYAZOOKAQQ-GFCCVEGCSA-N 1 2 369.424 2.202 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000125936565 326480409 /nfs/dbraw/zinc/48/04/09/326480409.db2.gz VQXWTFVYWFWXHY-SNVBAGLBSA-N 1 2 361.320 2.064 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130000209 326549754 /nfs/dbraw/zinc/54/97/54/326549754.db2.gz PJDRLLZJPZGRDU-CYBMUJFWSA-N 1 2 356.382 2.397 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CCCn2cc[nH+]c2)c1C ZINC000134549949 326627788 /nfs/dbraw/zinc/62/77/88/326627788.db2.gz MDNACKBMPIJAEW-UHFFFAOYSA-N 1 2 352.416 2.119 20 5 FEBDLO CC[C@@H](O)CN1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000173457524 327258571 /nfs/dbraw/zinc/25/85/71/327258571.db2.gz IXENDVPWOYGOMT-QGZVFWFLSA-N 1 2 374.441 2.181 20 5 FEBDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc43)CC2)S1 ZINC000174417273 327326027 /nfs/dbraw/zinc/32/60/27/327326027.db2.gz NIZQVKQYHBPTDJ-NSHDSACASA-N 1 2 373.438 2.325 20 5 FEBDLO COc1cccc([C@H](C)N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000174846999 327354947 /nfs/dbraw/zinc/35/49/47/327354947.db2.gz NQVRLSOOABJALK-HNNXBMFYSA-N 1 2 359.430 2.179 20 5 FEBDLO O=C(C[NH+]1CCC(OC[C@H]2CCCO2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000177465735 327524419 /nfs/dbraw/zinc/52/44/19/327524419.db2.gz JKAAQHLXUNEJTL-OAHLLOKOSA-N 1 2 363.414 2.193 20 5 FEBDLO C[C@@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000246557309 328627162 /nfs/dbraw/zinc/62/71/62/328627162.db2.gz DSTCVVGCCOGFTR-CZUORRHYSA-N 1 2 364.427 2.204 20 5 FEBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000261374119 328803027 /nfs/dbraw/zinc/80/30/27/328803027.db2.gz QCZGVYZGDBSMSP-UHFFFAOYSA-N 1 2 352.354 2.147 20 5 FEBDLO CCc1cc(N[C@@H](C)CS(C)(=O)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000264984885 329080715 /nfs/dbraw/zinc/08/07/15/329080715.db2.gz RXBVIBZQYHWIFN-NSHDSACASA-N 1 2 364.427 2.459 20 5 FEBDLO CC1(C)C[NH+]=C(N2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)S1 ZINC000265730991 329154707 /nfs/dbraw/zinc/15/47/07/329154707.db2.gz BGQXGDBESQZKPA-UHFFFAOYSA-N 1 2 354.457 2.296 20 5 FEBDLO CCOC(=O)c1cc(N2CC[NH+](Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000267512057 329334493 /nfs/dbraw/zinc/33/44/93/329334493.db2.gz CBAHHWMWPABILN-UHFFFAOYSA-N 1 2 370.409 2.489 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000268206287 329396807 /nfs/dbraw/zinc/39/68/07/329396807.db2.gz GXXVNGCHZBZDOV-UHFFFAOYSA-N 1 2 364.427 2.449 20 5 FEBDLO COCC1(O)CC[NH+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000270367723 329594576 /nfs/dbraw/zinc/59/45/76/329594576.db2.gz MAHSGOMUZVETQG-LLVKDONJSA-N 1 2 371.821 2.049 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1nnc(C)s1 ZINC000273540991 329873038 /nfs/dbraw/zinc/87/30/38/329873038.db2.gz ANLOMMXRJDJSPT-MRVPVSSYSA-N 1 2 351.388 2.053 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367087849 330215529 /nfs/dbraw/zinc/21/55/29/330215529.db2.gz ZKLSIEQAVRIEDD-MRXNPFEDSA-N 1 2 360.801 2.359 20 5 FEBDLO O=C(C1CCC1)N1CC[NH+](CCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000477872185 561155198 /nfs/dbraw/zinc/15/51/98/561155198.db2.gz AWOOJFFISVTWMR-UHFFFAOYSA-N 1 2 350.394 2.090 20 5 FEBDLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000159523191 545960854 /nfs/dbraw/zinc/96/08/54/545960854.db2.gz NHZZBHBNGDVDHJ-INIZCTEOSA-N 1 2 373.384 2.365 20 5 FEBDLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000159523191 545960858 /nfs/dbraw/zinc/96/08/58/545960858.db2.gz NHZZBHBNGDVDHJ-INIZCTEOSA-N 1 2 373.384 2.365 20 5 FEBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc([N+](=O)[O-])nn3C)n2)C1 ZINC000481509904 561234512 /nfs/dbraw/zinc/23/45/12/561234512.db2.gz SNJXKKPVEWVRAN-JTQLQIEISA-N 1 2 364.431 2.269 20 5 FEBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc([N+](=O)[O-])nn3C)n2)C1 ZINC000481509904 561234513 /nfs/dbraw/zinc/23/45/13/561234513.db2.gz SNJXKKPVEWVRAN-JTQLQIEISA-N 1 2 364.431 2.269 20 5 FEBDLO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000481510715 561234715 /nfs/dbraw/zinc/23/47/15/561234715.db2.gz VNDKIQLRNVKIIK-UHFFFAOYSA-N 1 2 350.404 2.023 20 5 FEBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000179226583 546917520 /nfs/dbraw/zinc/91/75/20/546917520.db2.gz XXLNGCFIESLEDJ-UHFFFAOYSA-N 1 2 356.357 2.435 20 5 FEBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000179226583 546917522 /nfs/dbraw/zinc/91/75/22/546917522.db2.gz XXLNGCFIESLEDJ-UHFFFAOYSA-N 1 2 356.357 2.435 20 5 FEBDLO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000179505855 546966873 /nfs/dbraw/zinc/96/68/73/546966873.db2.gz YGCQKEKBFPFDPB-AWEZNQCLSA-N 1 2 370.413 2.069 20 5 FEBDLO NC(=O)c1ccc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000179505855 546966876 /nfs/dbraw/zinc/96/68/76/546966876.db2.gz YGCQKEKBFPFDPB-AWEZNQCLSA-N 1 2 370.413 2.069 20 5 FEBDLO Cc1cccn2cc(CNS(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000180250329 547072851 /nfs/dbraw/zinc/07/28/51/547072851.db2.gz FAPKATYRTFQVSZ-UHFFFAOYSA-N 1 2 374.422 2.213 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000483056516 561266187 /nfs/dbraw/zinc/26/61/87/561266187.db2.gz LEHUFVUEBUZDSQ-DZGCQCFKSA-N 1 2 363.414 2.192 20 5 FEBDLO CCN(CC)C(=O)CN1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182619765 547523141 /nfs/dbraw/zinc/52/31/41/547523141.db2.gz OFFFSLVWQIMVON-INIZCTEOSA-N 1 2 362.474 2.450 20 5 FEBDLO CCN(CC)C(=O)C[NH+]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182619765 547523144 /nfs/dbraw/zinc/52/31/44/547523144.db2.gz OFFFSLVWQIMVON-INIZCTEOSA-N 1 2 362.474 2.450 20 5 FEBDLO O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)Nc1ccncc1[N+](=O)[O-] ZINC000183614626 547689198 /nfs/dbraw/zinc/68/91/98/547689198.db2.gz YZNWTOOAYRCIJJ-MRXNPFEDSA-N 1 2 371.397 2.185 20 5 FEBDLO C[C@H]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000184678427 547863655 /nfs/dbraw/zinc/86/36/55/547863655.db2.gz SQNVNZVYXJJURW-BBRMVZONSA-N 1 2 364.427 2.204 20 5 FEBDLO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000185921439 548059188 /nfs/dbraw/zinc/05/91/88/548059188.db2.gz AQMNWHRHQWQGGC-UHFFFAOYSA-N 1 2 356.382 2.090 20 5 FEBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000186099789 548084712 /nfs/dbraw/zinc/08/47/12/548084712.db2.gz WDHLFSNTVKAPGL-SFHVURJKSA-N 1 2 357.410 2.090 20 5 FEBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000186099789 548084716 /nfs/dbraw/zinc/08/47/16/548084716.db2.gz WDHLFSNTVKAPGL-SFHVURJKSA-N 1 2 357.410 2.090 20 5 FEBDLO CCN1CC[NH+]([C@H]2CCN(C(=O)/C(C)=C/c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000186163694 548092982 /nfs/dbraw/zinc/09/29/82/548092982.db2.gz JLGYHRAREGLEQY-IDCODDLRSA-N 1 2 372.469 2.237 20 5 FEBDLO COc1ccc(OCC[N@@H+]2CCO[C@@H](COCC3CC3)C2)c([N+](=O)[O-])c1 ZINC000485901698 561331820 /nfs/dbraw/zinc/33/18/20/561331820.db2.gz SXTHBCZOUBQWGA-MRXNPFEDSA-N 1 2 366.414 2.110 20 5 FEBDLO COc1ccc(OCC[N@H+]2CCO[C@@H](COCC3CC3)C2)c([N+](=O)[O-])c1 ZINC000485901698 561331821 /nfs/dbraw/zinc/33/18/21/561331821.db2.gz SXTHBCZOUBQWGA-MRXNPFEDSA-N 1 2 366.414 2.110 20 5 FEBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H]2C1 ZINC000194081523 548433042 /nfs/dbraw/zinc/43/30/42/548433042.db2.gz SYQZZBZGTAZQFI-FVQBIDKESA-N 1 2 351.359 2.271 20 5 FEBDLO 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COc1cc(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000194764635 548528608 /nfs/dbraw/zinc/52/86/08/548528608.db2.gz IWWFSOXTYBSLFS-BETUJISGSA-N 1 2 365.430 2.093 20 5 FEBDLO COc1cc(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000194764635 548528611 /nfs/dbraw/zinc/52/86/11/548528611.db2.gz IWWFSOXTYBSLFS-BETUJISGSA-N 1 2 365.430 2.093 20 5 FEBDLO CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccc[nH+]c21 ZINC000487088047 561363355 /nfs/dbraw/zinc/36/33/55/561363355.db2.gz QACHDLLQEXUZAW-UHFFFAOYSA-N 1 2 368.802 2.288 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245441350 548922241 /nfs/dbraw/zinc/92/22/41/548922241.db2.gz VIBIIAZLMNMNPK-GOEBONIOSA-N 1 2 356.444 2.391 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245441350 548922244 /nfs/dbraw/zinc/92/22/44/548922244.db2.gz VIBIIAZLMNMNPK-GOEBONIOSA-N 1 2 356.444 2.391 20 5 FEBDLO 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COC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246685106 549188786 /nfs/dbraw/zinc/18/87/86/549188786.db2.gz ZHCXYQFMIMCWTI-HWPZZCPQSA-N 1 2 369.805 2.460 20 5 FEBDLO COC(=O)[C@@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246685106 549188789 /nfs/dbraw/zinc/18/87/89/549188789.db2.gz ZHCXYQFMIMCWTI-HWPZZCPQSA-N 1 2 369.805 2.460 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488771710 561396771 /nfs/dbraw/zinc/39/67/71/561396771.db2.gz RJOZWQFQVPXSAP-MRXNPFEDSA-N 1 2 362.430 2.181 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488771710 561396772 /nfs/dbraw/zinc/39/67/72/561396772.db2.gz RJOZWQFQVPXSAP-MRXNPFEDSA-N 1 2 362.430 2.181 20 5 FEBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3nncn3-c3ccccc3)CC2)n1 ZINC000489017032 561401738 /nfs/dbraw/zinc/40/17/38/561401738.db2.gz SVGZEIWAGLQUCF-UHFFFAOYSA-N 1 2 353.386 2.209 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000247700292 549373121 /nfs/dbraw/zinc/37/31/21/549373121.db2.gz UNHSCQJJVWSEMR-LRDDRELGSA-N 1 2 364.427 2.372 20 5 FEBDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)[nH]1 ZINC000268500455 550077640 /nfs/dbraw/zinc/07/76/40/550077640.db2.gz RZYXUPYGMMILLA-GFCCVEGCSA-N 1 2 359.386 2.267 20 5 FEBDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)[nH]1 ZINC000268500455 550077643 /nfs/dbraw/zinc/07/76/43/550077643.db2.gz RZYXUPYGMMILLA-GFCCVEGCSA-N 1 2 359.386 2.267 20 5 FEBDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n1 ZINC000268500455 550077645 /nfs/dbraw/zinc/07/76/45/550077645.db2.gz RZYXUPYGMMILLA-GFCCVEGCSA-N 1 2 359.386 2.267 20 5 FEBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n1 ZINC000268500455 550077646 /nfs/dbraw/zinc/07/76/46/550077646.db2.gz RZYXUPYGMMILLA-GFCCVEGCSA-N 1 2 359.386 2.267 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n[nH]1 ZINC000268500455 550077648 /nfs/dbraw/zinc/07/76/48/550077648.db2.gz RZYXUPYGMMILLA-GFCCVEGCSA-N 1 2 359.386 2.267 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n[nH]1 ZINC000268500455 550077650 /nfs/dbraw/zinc/07/76/50/550077650.db2.gz RZYXUPYGMMILLA-GFCCVEGCSA-N 1 2 359.386 2.267 20 5 FEBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000492652532 561452143 /nfs/dbraw/zinc/45/21/43/561452143.db2.gz CFDNTMJCRHGRDV-MWLCHTKSSA-N 1 2 364.789 2.412 20 5 FEBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000492652532 561452144 /nfs/dbraw/zinc/45/21/44/561452144.db2.gz CFDNTMJCRHGRDV-MWLCHTKSSA-N 1 2 364.789 2.412 20 5 FEBDLO COC(=O)C1([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCCC1 ZINC000269247431 550172315 /nfs/dbraw/zinc/17/23/15/550172315.db2.gz ABMXLYNMFYJMMH-UHFFFAOYSA-N 1 2 350.371 2.379 20 5 FEBDLO COC(=O)C1([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCCC1 ZINC000269247431 550172318 /nfs/dbraw/zinc/17/23/18/550172318.db2.gz ABMXLYNMFYJMMH-UHFFFAOYSA-N 1 2 350.371 2.379 20 5 FEBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272079952 550421523 /nfs/dbraw/zinc/42/15/23/550421523.db2.gz ANKZJJFYMJZNMA-NSHDSACASA-N 1 2 368.390 2.334 20 5 FEBDLO Cc1ccc(N2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1 ZINC000273602871 550504953 /nfs/dbraw/zinc/50/49/53/550504953.db2.gz RWRAGRPNIFKKBY-UHFFFAOYSA-N 1 2 354.410 2.324 20 5 FEBDLO C[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000278448567 550787276 /nfs/dbraw/zinc/78/72/76/550787276.db2.gz RKZBFYWVZVQAGI-ZWNOBZJWSA-N 1 2 360.336 2.166 20 5 FEBDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000279087240 550853055 /nfs/dbraw/zinc/85/30/55/550853055.db2.gz QNXQNQLQEMKACZ-CQSZACIVSA-N 1 2 365.433 2.232 20 5 FEBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H](C2CC2)O1 ZINC000279313342 550876675 /nfs/dbraw/zinc/87/66/75/550876675.db2.gz FIZFKVAEOTYPBD-SJKOYZFVSA-N 1 2 356.382 2.420 20 5 FEBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C[C@@H](C)O2 ZINC000279666620 550914586 /nfs/dbraw/zinc/91/45/86/550914586.db2.gz DBUYWIWCHXLZSM-VBHSOAQHSA-N 1 2 374.397 2.413 20 5 FEBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C[C@@H](C)O2 ZINC000279666620 550914587 /nfs/dbraw/zinc/91/45/87/550914587.db2.gz DBUYWIWCHXLZSM-VBHSOAQHSA-N 1 2 374.397 2.413 20 5 FEBDLO Cc1[nH+]c2ccccc2n1C1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000280330381 550981628 /nfs/dbraw/zinc/98/16/28/550981628.db2.gz UQQYLICCVROJHW-UHFFFAOYSA-N 1 2 353.386 2.467 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)O1 ZINC000282348553 551215077 /nfs/dbraw/zinc/21/50/77/551215077.db2.gz CHYYLRJGOIJRKL-YVFQKMDQSA-N 1 2 352.362 2.417 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)O1 ZINC000282348553 551215078 /nfs/dbraw/zinc/21/50/78/551215078.db2.gz CHYYLRJGOIJRKL-YVFQKMDQSA-N 1 2 352.362 2.417 20 5 FEBDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000285495313 551765275 /nfs/dbraw/zinc/76/52/75/551765275.db2.gz DWARSPJTEANWOV-GFCCVEGCSA-N 1 2 361.851 2.104 20 5 FEBDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000285495313 551765276 /nfs/dbraw/zinc/76/52/76/551765276.db2.gz DWARSPJTEANWOV-GFCCVEGCSA-N 1 2 361.851 2.104 20 5 FEBDLO CC[C@@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H](C)[S@]1=O ZINC000285888106 551823542 /nfs/dbraw/zinc/82/35/42/551823542.db2.gz JWNZHUQQSDVYKD-CVDOSRGISA-N 1 2 356.444 2.214 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H](C)[S@]1=O ZINC000285888106 551823543 /nfs/dbraw/zinc/82/35/43/551823543.db2.gz JWNZHUQQSDVYKD-CVDOSRGISA-N 1 2 356.444 2.214 20 5 FEBDLO COC(=O)c1cc(C)nc(N2CC[NH+](Cc3ccco3)CC2)c1[N+](=O)[O-] ZINC000286115197 551850204 /nfs/dbraw/zinc/85/02/04/551850204.db2.gz LYGITMJPWYHHDY-UHFFFAOYSA-N 1 2 360.370 2.000 20 5 FEBDLO COc1cc(CN2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000286189094 551859121 /nfs/dbraw/zinc/85/91/21/551859121.db2.gz XLCSSOKCFZOZPX-OCCSQVGLSA-N 1 2 353.394 2.038 20 5 FEBDLO O=C(C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000286435535 551885046 /nfs/dbraw/zinc/88/50/46/551885046.db2.gz JBGYCYJIYJDUED-GHMZBOCLSA-N 1 2 361.320 2.026 20 5 FEBDLO O=C(C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000286435535 551885047 /nfs/dbraw/zinc/88/50/47/551885047.db2.gz JBGYCYJIYJDUED-GHMZBOCLSA-N 1 2 361.320 2.026 20 5 FEBDLO CCC[C@@]1(CO)CC[N@H+](CC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])C1 ZINC000288754317 552206336 /nfs/dbraw/zinc/20/63/36/552206336.db2.gz IGLRYRROVBZTLL-GOSISDBHSA-N 1 2 365.430 2.417 20 5 FEBDLO CCC[C@@]1(CO)CC[N@@H+](CC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])C1 ZINC000288754317 552206337 /nfs/dbraw/zinc/20/63/37/552206337.db2.gz IGLRYRROVBZTLL-GOSISDBHSA-N 1 2 365.430 2.417 20 5 FEBDLO C[N@@H+]1CCCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000288857570 552225333 /nfs/dbraw/zinc/22/53/33/552225333.db2.gz ARTHAKYCAZHLRC-UHFFFAOYSA-N 1 2 368.242 2.228 20 5 FEBDLO C[N@H+]1CCCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000288857570 552225334 /nfs/dbraw/zinc/22/53/34/552225334.db2.gz ARTHAKYCAZHLRC-UHFFFAOYSA-N 1 2 368.242 2.228 20 5 FEBDLO CC(C)[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000288973232 552246110 /nfs/dbraw/zinc/24/61/10/552246110.db2.gz QXUPZPMWTNKRSN-CQSZACIVSA-N 1 2 352.416 2.177 20 5 FEBDLO CCS(=O)(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000289498080 552331164 /nfs/dbraw/zinc/33/11/64/552331164.db2.gz SNUMGMUIMPFSCM-UHFFFAOYSA-N 1 2 361.851 2.152 20 5 FEBDLO C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000289882478 552393853 /nfs/dbraw/zinc/39/38/53/552393853.db2.gz ZSNSFRZDOCOSBX-MNOVXSKESA-N 1 2 356.810 2.479 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000290138081 552433312 /nfs/dbraw/zinc/43/33/12/552433312.db2.gz BIFOELLJPJYWTK-UHFFFAOYSA-N 1 2 371.397 2.109 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000290438772 552479046 /nfs/dbraw/zinc/47/90/46/552479046.db2.gz SBKWZURTBMBJSB-UHFFFAOYSA-N 1 2 351.384 2.395 20 5 FEBDLO CC1CCN(c2ccc(CNc3nccc(C(N)=O)c3[N+](=O)[O-])c[nH+]2)CC1 ZINC000290440443 552479147 /nfs/dbraw/zinc/47/91/47/552479147.db2.gz BWOWEYRNMZXELH-UHFFFAOYSA-N 1 2 370.413 2.332 20 5 FEBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000291078528 552584402 /nfs/dbraw/zinc/58/44/02/552584402.db2.gz JNSPPWOCGCRUTC-UHFFFAOYSA-N 1 2 362.411 2.186 20 5 FEBDLO Cn1c[nH+]cc1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000292207330 552704505 /nfs/dbraw/zinc/70/45/05/552704505.db2.gz BTTAVRAHWPVZNR-UHFFFAOYSA-N 1 2 357.292 2.347 20 5 FEBDLO Cc1ccc([C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000294276729 552893268 /nfs/dbraw/zinc/89/32/68/552893268.db2.gz BEQHNDQQRHWAED-QGZVFWFLSA-N 1 2 363.458 2.320 20 5 FEBDLO CCOCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000295335314 552989553 /nfs/dbraw/zinc/98/95/53/552989553.db2.gz UKPJZLSGSHWROX-UHFFFAOYSA-N 1 2 355.822 2.351 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295845110 553066816 /nfs/dbraw/zinc/06/68/16/553066816.db2.gz IHUFZASXGWDWOI-CJNGLKHVSA-N 1 2 360.414 2.151 20 5 FEBDLO COc1c(F)cc(S(=O)(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)cc1[N+](=O)[O-] ZINC000295996767 553086963 /nfs/dbraw/zinc/08/69/63/553086963.db2.gz LWZAIYFQKXPQOR-LBPRGKRZSA-N 1 2 372.378 2.141 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296066515 553098975 /nfs/dbraw/zinc/09/89/75/553098975.db2.gz XOTZMICLZACQJC-GOEBONIOSA-N 1 2 360.414 2.151 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000502615100 561622287 /nfs/dbraw/zinc/62/22/87/561622287.db2.gz BPBFCLIHUWHGPQ-AWEZNQCLSA-N 1 2 372.429 2.388 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](OC(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000296563647 553180307 /nfs/dbraw/zinc/18/03/07/553180307.db2.gz CQOHGQOMKDTBMK-STQMWFEESA-N 1 2 364.402 2.003 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](OC(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000296563647 553180309 /nfs/dbraw/zinc/18/03/09/553180309.db2.gz CQOHGQOMKDTBMK-STQMWFEESA-N 1 2 364.402 2.003 20 5 FEBDLO Cc1cc(NCCNC(=O)COc2ccccc2[N+](=O)[O-])nc(C(C)C)[nH+]1 ZINC000600367421 553257244 /nfs/dbraw/zinc/25/72/44/553257244.db2.gz TZKZLHKQGAXULO-UHFFFAOYSA-N 1 2 373.413 2.424 20 5 FEBDLO Cc1cc(NCCNC(=O)COc2ccc([N+](=O)[O-])cc2)nc(C(C)C)[nH+]1 ZINC000600366180 553257255 /nfs/dbraw/zinc/25/72/55/553257255.db2.gz NASXBGAVVJYTPE-UHFFFAOYSA-N 1 2 373.413 2.424 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000503145338 561635340 /nfs/dbraw/zinc/63/53/40/561635340.db2.gz CJZGGWUBQSZZTK-UHFFFAOYSA-N 1 2 369.425 2.055 20 5 FEBDLO Cc1cc([N+](=O)[O-])cnc1NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601178529 553356955 /nfs/dbraw/zinc/35/69/55/553356955.db2.gz USEXELZRMZCXJD-UHFFFAOYSA-N 1 2 374.466 2.475 20 5 FEBDLO Cc1n[nH]c(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)c1[N+](=O)[O-] ZINC000299514317 553574019 /nfs/dbraw/zinc/57/40/19/553574019.db2.gz HEMXFTCHZQBHLT-UHFFFAOYSA-N 1 2 358.402 2.188 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000301137558 553625024 /nfs/dbraw/zinc/62/50/24/553625024.db2.gz CRFXGYULEIAZRM-UHFFFAOYSA-N 1 2 351.366 2.434 20 5 FEBDLO COC1(c2ccccc2)C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000504694555 561661389 /nfs/dbraw/zinc/66/13/89/561661389.db2.gz JDCZEWNBPAUKTH-MRXNPFEDSA-N 1 2 358.394 2.192 20 5 FEBDLO Cc1c[nH+]ccc1CCNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000301806072 553680810 /nfs/dbraw/zinc/68/08/10/553680810.db2.gz AEAQDZWHTCVZML-UHFFFAOYSA-N 1 2 370.409 2.425 20 5 FEBDLO Cc1cccc(N2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000302503479 553719003 /nfs/dbraw/zinc/71/90/03/553719003.db2.gz PPMOBNNRPDSLNX-HNNXBMFYSA-N 1 2 360.458 2.473 20 5 FEBDLO COc1ccccc1[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000505459810 561671547 /nfs/dbraw/zinc/67/15/47/561671547.db2.gz ISPBUQJVPHVDJV-MRXNPFEDSA-N 1 2 357.366 2.096 20 5 FEBDLO O=[N+]([O-])c1ccccc1CN(c1cc(N2CCOCC2)[nH+]cn1)C1CC1 ZINC000302856703 553736957 /nfs/dbraw/zinc/73/69/57/553736957.db2.gz SEVDCMXSRBAGSQ-UHFFFAOYSA-N 1 2 355.398 2.390 20 5 FEBDLO O=[N+]([O-])c1ccccc1CN(c1cc(N2CCOCC2)nc[nH+]1)C1CC1 ZINC000302856703 553736958 /nfs/dbraw/zinc/73/69/58/553736958.db2.gz SEVDCMXSRBAGSQ-UHFFFAOYSA-N 1 2 355.398 2.390 20 5 FEBDLO COc1ccccc1[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC[NH2+]1 ZINC000505578253 561674341 /nfs/dbraw/zinc/67/43/41/561674341.db2.gz FWNUQZUGOGPPHQ-HNNXBMFYSA-N 1 2 371.393 2.399 20 5 FEBDLO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000505578034 561674453 /nfs/dbraw/zinc/67/44/53/561674453.db2.gz DDOVYOXAASLJBU-OAHLLOKOSA-N 1 2 351.366 2.258 20 5 FEBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000507085019 561716868 /nfs/dbraw/zinc/71/68/68/561716868.db2.gz CJPJRBKDHDSFSI-UHFFFAOYSA-N 1 2 359.357 2.398 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000508072824 561750403 /nfs/dbraw/zinc/75/04/03/561750403.db2.gz ICDYZYNAIPGPKI-UHFFFAOYSA-N 1 2 373.394 2.344 20 5 FEBDLO Cc1cc(S(=O)(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)ccc1[N+](=O)[O-] ZINC000508087801 561751147 /nfs/dbraw/zinc/75/11/47/561751147.db2.gz XWROWGTWOMNJNT-UHFFFAOYSA-N 1 2 373.394 2.344 20 5 FEBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1-n1cc[nH+]c1 ZINC000510076550 561824215 /nfs/dbraw/zinc/82/42/15/561824215.db2.gz IBTJCKHOEDJERJ-UHFFFAOYSA-N 1 2 365.349 2.149 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c1C ZINC000510374835 561832861 /nfs/dbraw/zinc/83/28/61/561832861.db2.gz IPORFPIVJYWQKL-HNNXBMFYSA-N 1 2 364.427 2.375 20 5 FEBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000510393295 561833487 /nfs/dbraw/zinc/83/34/87/561833487.db2.gz FTQBXHXASRLEPO-ZDUSSCGKSA-N 1 2 351.366 2.480 20 5 FEBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCC(=O)c1ccccc1 ZINC000511127279 561858404 /nfs/dbraw/zinc/85/84/04/561858404.db2.gz UOAMDROSKJXTFW-UHFFFAOYSA-N 1 2 355.394 2.068 20 5 FEBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCC(=O)c1ccccc1 ZINC000511127279 561858406 /nfs/dbraw/zinc/85/84/06/561858406.db2.gz UOAMDROSKJXTFW-UHFFFAOYSA-N 1 2 355.394 2.068 20 5 FEBDLO Cn1cc[nH+]c1CNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000361278456 554914142 /nfs/dbraw/zinc/91/41/42/554914142.db2.gz MMALYZRAPQHKKG-DOTOQJQBSA-N 1 2 369.425 2.176 20 5 FEBDLO O=C(NCCn1cc[nH+]c1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000361739799 554932482 /nfs/dbraw/zinc/93/24/82/554932482.db2.gz ZMCYWVODIBNASH-FUHWJXTLSA-N 1 2 369.425 2.139 20 5 FEBDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000362624162 554976507 /nfs/dbraw/zinc/97/65/07/554976507.db2.gz VLEDFHFQLPUUQG-IAGOWNOFSA-N 1 2 360.414 2.052 20 5 FEBDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000362624162 554976508 /nfs/dbraw/zinc/97/65/08/554976508.db2.gz VLEDFHFQLPUUQG-IAGOWNOFSA-N 1 2 360.414 2.052 20 5 FEBDLO O=C(CCOc1ccccc1[N+](=O)[O-])NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000363021763 555012181 /nfs/dbraw/zinc/01/21/81/555012181.db2.gz ZQZXSPZPBCCCNY-UHFFFAOYSA-N 1 2 367.365 2.261 20 5 FEBDLO CN(C(=O)C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1)c1ccccc1 ZINC000363593606 555143831 /nfs/dbraw/zinc/14/38/31/555143831.db2.gz OPJVDGQMQTURET-UHFFFAOYSA-N 1 2 357.414 2.203 20 5 FEBDLO CC(C)c1nc(N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)nc(N(C)C)[nH+]1 ZINC000363732110 555174260 /nfs/dbraw/zinc/17/42/60/555174260.db2.gz FCAVJRFDDIZPAV-GFCCVEGCSA-N 1 2 360.422 2.007 20 5 FEBDLO CC(C)c1nc(N(C)C)nc(N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)[nH+]1 ZINC000363732110 555174262 /nfs/dbraw/zinc/17/42/62/555174262.db2.gz FCAVJRFDDIZPAV-GFCCVEGCSA-N 1 2 360.422 2.007 20 5 FEBDLO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000364082151 555246232 /nfs/dbraw/zinc/24/62/32/555246232.db2.gz BITMWUVKVPOMCH-UHFFFAOYSA-N 1 2 361.377 2.318 20 5 FEBDLO NC(=O)C1([NH+]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)CCCC1 ZINC000365028117 555468745 /nfs/dbraw/zinc/46/87/45/555468745.db2.gz NZNVVGKTXCNBET-UHFFFAOYSA-N 1 2 369.425 2.063 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000365829800 555677157 /nfs/dbraw/zinc/67/71/57/555677157.db2.gz CIVLPAOPBLZQTM-STQMWFEESA-N 1 2 359.386 2.074 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000365829800 555677159 /nfs/dbraw/zinc/67/71/59/555677159.db2.gz CIVLPAOPBLZQTM-STQMWFEESA-N 1 2 359.386 2.074 20 5 FEBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000367441925 556049874 /nfs/dbraw/zinc/04/98/74/556049874.db2.gz BLJMUAYBZJWRFK-INIZCTEOSA-N 1 2 374.397 2.363 20 5 FEBDLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368411703 556300654 /nfs/dbraw/zinc/30/06/54/556300654.db2.gz JGOLTWIBDVLOMX-INIZCTEOSA-N 1 2 366.381 2.454 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000368456612 556315540 /nfs/dbraw/zinc/31/55/40/556315540.db2.gz BKOLZHFNPAJLGK-STQMWFEESA-N 1 2 370.413 2.174 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000368456612 556315542 /nfs/dbraw/zinc/31/55/42/556315542.db2.gz BKOLZHFNPAJLGK-STQMWFEESA-N 1 2 370.413 2.174 20 5 FEBDLO O=C1[C@@H]([N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1C1CCOCC1 ZINC000368460079 556316090 /nfs/dbraw/zinc/31/60/90/556316090.db2.gz YZFLWTSPFPPOJM-SFHVURJKSA-N 1 2 359.426 2.339 20 5 FEBDLO O=C1[C@@H]([N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1C1CCOCC1 ZINC000368460079 556316091 /nfs/dbraw/zinc/31/60/91/556316091.db2.gz YZFLWTSPFPPOJM-SFHVURJKSA-N 1 2 359.426 2.339 20 5 FEBDLO CCN(CC)c1ccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000515525062 562014124 /nfs/dbraw/zinc/01/41/24/562014124.db2.gz UOABPEUBJYEEEY-UHFFFAOYSA-N 1 2 364.427 2.315 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000369369843 556582043 /nfs/dbraw/zinc/58/20/43/556582043.db2.gz MAJREZQUIWXYBG-LLVKDONJSA-N 1 2 359.342 2.256 20 5 FEBDLO O=C(CC[NH2+][C@H](c1nnc[nH]1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000370072968 556773092 /nfs/dbraw/zinc/77/30/92/556773092.db2.gz NLKWSZIKBBJQRH-KRWDZBQOSA-N 1 2 366.381 2.421 20 5 FEBDLO CCN(CC)c1ccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c[nH+]1 ZINC000516515713 562045549 /nfs/dbraw/zinc/04/55/49/562045549.db2.gz JAHWOLRNYYFAOB-UHFFFAOYSA-N 1 2 372.381 2.495 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000370200406 556808615 /nfs/dbraw/zinc/80/86/15/556808615.db2.gz AVPADHUSHHCDNL-UHFFFAOYSA-N 1 2 363.443 2.476 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000370200406 556808616 /nfs/dbraw/zinc/80/86/16/556808616.db2.gz AVPADHUSHHCDNL-UHFFFAOYSA-N 1 2 363.443 2.476 20 5 FEBDLO O=C1OCCC12CC[NH+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CC2 ZINC000371152015 557090117 /nfs/dbraw/zinc/09/01/17/557090117.db2.gz SBTQNKATPBGOEI-UHFFFAOYSA-N 1 2 358.354 2.174 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CCC2 ZINC000371291474 557133849 /nfs/dbraw/zinc/13/38/49/557133849.db2.gz ZJOJIJZBSBJGQV-NSHDSACASA-N 1 2 368.390 2.095 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000517582989 562093098 /nfs/dbraw/zinc/09/30/98/562093098.db2.gz DPMYZRMOEXGZDX-AWEZNQCLSA-N 1 2 356.382 2.426 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000517582989 562093099 /nfs/dbraw/zinc/09/30/99/562093099.db2.gz DPMYZRMOEXGZDX-AWEZNQCLSA-N 1 2 356.382 2.426 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000372197650 557406754 /nfs/dbraw/zinc/40/67/54/557406754.db2.gz RHPLQKFVVRAAOW-CQSZACIVSA-N 1 2 363.414 2.193 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCOC2(CCOCC2)CC1 ZINC000372197650 557406757 /nfs/dbraw/zinc/40/67/57/557406757.db2.gz RHPLQKFVVRAAOW-CQSZACIVSA-N 1 2 363.414 2.193 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000372308833 557435612 /nfs/dbraw/zinc/43/56/12/557435612.db2.gz SUKSLXYHGRYLNB-AWEZNQCLSA-N 1 2 358.398 2.422 20 5 FEBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3nccc(C)c3[N+](=O)[O-])CC2)no1 ZINC000372571544 557508217 /nfs/dbraw/zinc/50/82/17/557508217.db2.gz HKLIDHZOISVNNV-CQSZACIVSA-N 1 2 360.418 2.481 20 5 FEBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3nccc(C)c3[N+](=O)[O-])CC2)no1 ZINC000372571544 557508220 /nfs/dbraw/zinc/50/82/20/557508220.db2.gz HKLIDHZOISVNNV-CQSZACIVSA-N 1 2 360.418 2.481 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](c2cc(C)n[nH]2)C1 ZINC000372923551 557589284 /nfs/dbraw/zinc/58/92/84/557589284.db2.gz DJKYLCHQUAVBNR-ZDUSSCGKSA-N 1 2 373.413 2.453 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](c2cc(C)n[nH]2)C1 ZINC000372923551 557589286 /nfs/dbraw/zinc/58/92/86/557589286.db2.gz DJKYLCHQUAVBNR-ZDUSSCGKSA-N 1 2 373.413 2.453 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000372923551 557589287 /nfs/dbraw/zinc/58/92/87/557589287.db2.gz DJKYLCHQUAVBNR-ZDUSSCGKSA-N 1 2 373.413 2.453 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000372923551 557589290 /nfs/dbraw/zinc/58/92/90/557589290.db2.gz DJKYLCHQUAVBNR-ZDUSSCGKSA-N 1 2 373.413 2.453 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)N1CCCc2ccccc21 ZINC000373565821 557719061 /nfs/dbraw/zinc/71/90/61/557719061.db2.gz GEDJXCWLQLEEJC-MRXNPFEDSA-N 1 2 369.425 2.408 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)N1CCCc2ccccc21 ZINC000373565821 557719063 /nfs/dbraw/zinc/71/90/63/557719063.db2.gz GEDJXCWLQLEEJC-MRXNPFEDSA-N 1 2 369.425 2.408 20 5 FEBDLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000373582227 557722860 /nfs/dbraw/zinc/72/28/60/557722860.db2.gz LWWYXWBKOHQGIF-CHWSQXEVSA-N 1 2 370.377 2.285 20 5 FEBDLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000373582227 557722861 /nfs/dbraw/zinc/72/28/61/557722861.db2.gz LWWYXWBKOHQGIF-CHWSQXEVSA-N 1 2 370.377 2.285 20 5 FEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000520388860 562155222 /nfs/dbraw/zinc/15/52/22/562155222.db2.gz JLKHJXSOMTZBJM-MNOVXSKESA-N 1 2 352.778 2.417 20 5 FEBDLO Cc1cc(OCC(=O)NC2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000373788457 557759211 /nfs/dbraw/zinc/75/92/11/557759211.db2.gz KQYMZPGEGWSDOE-UHFFFAOYSA-N 1 2 370.409 2.462 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000374050667 557814431 /nfs/dbraw/zinc/81/44/31/557814431.db2.gz OJRIZQRNGASEEN-JTQLQIEISA-N 1 2 364.793 2.184 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H](c2nnc[nH]2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000374050667 557814432 /nfs/dbraw/zinc/81/44/32/557814432.db2.gz OJRIZQRNGASEEN-JTQLQIEISA-N 1 2 364.793 2.184 20 5 FEBDLO COc1ccc(OCC[N@@H+]2CCO[C@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000520806099 562164162 /nfs/dbraw/zinc/16/41/62/562164162.db2.gz AIWAIFDVVZTTDN-MRXNPFEDSA-N 1 2 354.428 2.190 20 5 FEBDLO COc1ccc(OCC[N@H+]2CCO[C@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000520806099 562164163 /nfs/dbraw/zinc/16/41/63/562164163.db2.gz AIWAIFDVVZTTDN-MRXNPFEDSA-N 1 2 354.428 2.190 20 5 FEBDLO COc1ccccc1[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000374322303 557865465 /nfs/dbraw/zinc/86/54/65/557865465.db2.gz WHEAMEVAIGLGQB-QGZVFWFLSA-N 1 2 371.393 2.155 20 5 FEBDLO CCc1[nH]nc(C(=O)N2CC[NH2+][C@H](c3ccc(CC)cc3)C2)c1[N+](=O)[O-] ZINC000374361214 557871753 /nfs/dbraw/zinc/87/17/53/557871753.db2.gz VYVGNRCBUYINJD-HNNXBMFYSA-N 1 2 357.414 2.229 20 5 FEBDLO COc1ccccc1[C@@H]1CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000374376703 557874237 /nfs/dbraw/zinc/87/42/37/557874237.db2.gz XYQGOXPORNUYIF-HNNXBMFYSA-N 1 2 371.393 2.399 20 5 FEBDLO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000375460115 558031442 /nfs/dbraw/zinc/03/14/42/558031442.db2.gz VJJQXZRMJVGJQO-LJQANCHMSA-N 1 2 372.425 2.469 20 5 FEBDLO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000375460115 558031444 /nfs/dbraw/zinc/03/14/44/558031444.db2.gz VJJQXZRMJVGJQO-LJQANCHMSA-N 1 2 372.425 2.469 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC000375738120 558074900 /nfs/dbraw/zinc/07/49/00/558074900.db2.gz KGTACIMECTVQEA-CQSZACIVSA-N 1 2 365.434 2.305 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC000375738120 558074901 /nfs/dbraw/zinc/07/49/01/558074901.db2.gz KGTACIMECTVQEA-CQSZACIVSA-N 1 2 365.434 2.305 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000375948875 558103969 /nfs/dbraw/zinc/10/39/69/558103969.db2.gz QZWPQAXVBZPOTL-SNVBAGLBSA-N 1 2 372.410 2.353 20 5 FEBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000376075850 558123379 /nfs/dbraw/zinc/12/33/79/558123379.db2.gz ZQWXZSPLDUCCAU-KRWDZBQOSA-N 1 2 365.455 2.417 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000376137173 558131609 /nfs/dbraw/zinc/13/16/09/558131609.db2.gz YIDXNMWSRLIMND-HBUWYVDXSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000376137173 558131610 /nfs/dbraw/zinc/13/16/10/558131610.db2.gz YIDXNMWSRLIMND-HBUWYVDXSA-N 1 2 363.414 2.192 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000377319323 558314292 /nfs/dbraw/zinc/31/42/92/558314292.db2.gz ZRZRVRCOOSUAEI-KRWDZBQOSA-N 1 2 368.393 2.145 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000377319323 558314295 /nfs/dbraw/zinc/31/42/95/558314295.db2.gz ZRZRVRCOOSUAEI-KRWDZBQOSA-N 1 2 368.393 2.145 20 5 FEBDLO COc1ccc(S(=O)(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1[N+](=O)[O-] ZINC000523458381 562213516 /nfs/dbraw/zinc/21/35/16/562213516.db2.gz ASNRRXXBOJUCOE-UHFFFAOYSA-N 1 2 362.367 2.360 20 5 FEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000523525892 562214575 /nfs/dbraw/zinc/21/45/75/562214575.db2.gz ONMRFXNCTHZJTH-VIFPVBQESA-N 1 2 353.176 2.372 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000408181824 558654293 /nfs/dbraw/zinc/65/42/93/558654293.db2.gz GKWRPLWDUDYOJH-ZIAGYGMSSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000408181824 558654294 /nfs/dbraw/zinc/65/42/94/558654294.db2.gz GKWRPLWDUDYOJH-ZIAGYGMSSA-N 1 2 353.444 2.151 20 5 FEBDLO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000408184629 558654635 /nfs/dbraw/zinc/65/46/35/558654635.db2.gz ZVCZYDXFYZOYLE-RYUDHWBXSA-N 1 2 373.862 2.496 20 5 FEBDLO C[C@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000408184629 558654636 /nfs/dbraw/zinc/65/46/36/558654636.db2.gz ZVCZYDXFYZOYLE-RYUDHWBXSA-N 1 2 373.862 2.496 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000411253060 558861420 /nfs/dbraw/zinc/86/14/20/558861420.db2.gz LEMKWVNKROWJRF-UHFFFAOYSA-N 1 2 373.413 2.319 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000411525021 558910688 /nfs/dbraw/zinc/91/06/88/558910688.db2.gz BQHWSFPMNQDFJO-OAHLLOKOSA-N 1 2 371.397 2.151 20 5 FEBDLO CC(C)Oc1cc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000411828445 558971738 /nfs/dbraw/zinc/97/17/38/558971738.db2.gz PPADCTPDNBJJBC-UHFFFAOYSA-N 1 2 365.430 2.223 20 5 FEBDLO CC(C)Oc1cc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000411828445 558971740 /nfs/dbraw/zinc/97/17/40/558971740.db2.gz PPADCTPDNBJJBC-UHFFFAOYSA-N 1 2 365.430 2.223 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000411937292 558991586 /nfs/dbraw/zinc/99/15/86/558991586.db2.gz JBFAVEFJPJKXMH-YOEHRIQHSA-N 1 2 371.393 2.350 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000411937292 558991587 /nfs/dbraw/zinc/99/15/87/558991587.db2.gz JBFAVEFJPJKXMH-YOEHRIQHSA-N 1 2 371.393 2.350 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1F ZINC000412216739 559020544 /nfs/dbraw/zinc/02/05/44/559020544.db2.gz OMKSUYMWRJUTDH-LLVKDONJSA-N 1 2 362.361 2.035 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000414469440 559166825 /nfs/dbraw/zinc/16/68/25/559166825.db2.gz MFEZZYJMXUTIJO-NSHDSACASA-N 1 2 352.416 2.023 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)C[NH+]2CCOCC2)c1 ZINC000415966483 559285613 /nfs/dbraw/zinc/28/56/13/559285613.db2.gz CAIZIZSDKPZULN-UHFFFAOYSA-N 1 2 353.444 2.157 20 5 FEBDLO COC1([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCOCC1 ZINC000421760932 559552226 /nfs/dbraw/zinc/55/22/26/559552226.db2.gz QDUIXMFISZJDIZ-ZDUSSCGKSA-N 1 2 374.397 2.094 20 5 FEBDLO CC[C@@H]1C[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000427740945 559761324 /nfs/dbraw/zinc/76/13/24/559761324.db2.gz KUQNNHAEHIMUMR-CQSZACIVSA-N 1 2 355.822 2.018 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000427740945 559761325 /nfs/dbraw/zinc/76/13/25/559761325.db2.gz KUQNNHAEHIMUMR-CQSZACIVSA-N 1 2 355.822 2.018 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000429200649 559793022 /nfs/dbraw/zinc/79/30/22/559793022.db2.gz ICBZSWOVIPIQTM-SNVBAGLBSA-N 1 2 350.202 2.007 20 5 FEBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000430256899 559816422 /nfs/dbraw/zinc/81/64/22/559816422.db2.gz MDFWOWYFZZIHIS-CQSZACIVSA-N 1 2 355.398 2.480 20 5 FEBDLO CC[C@@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000434305730 559897581 /nfs/dbraw/zinc/89/75/81/559897581.db2.gz DNOOHMOHHTVKOH-WMLDXEAASA-N 1 2 364.446 2.408 20 5 FEBDLO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cn2)CC1 ZINC000436897673 559955691 /nfs/dbraw/zinc/95/56/91/559955691.db2.gz BRTNLCSDGRBSQY-UHFFFAOYSA-N 1 2 372.381 2.421 20 5 FEBDLO Cc1ccnc(N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000440633443 560015227 /nfs/dbraw/zinc/01/52/27/560015227.db2.gz GOFWRDOPLHHJLH-QGZVFWFLSA-N 1 2 350.419 2.198 20 5 FEBDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000444780002 560120686 /nfs/dbraw/zinc/12/06/86/560120686.db2.gz MFGAXMJRUSIJNP-GOSISDBHSA-N 1 2 363.414 2.392 20 5 FEBDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000444780002 560120687 /nfs/dbraw/zinc/12/06/87/560120687.db2.gz MFGAXMJRUSIJNP-GOSISDBHSA-N 1 2 363.414 2.392 20 5 FEBDLO COC1(CO)CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000444868698 560123109 /nfs/dbraw/zinc/12/31/09/560123109.db2.gz GVYAVGAUBGOCOT-UHFFFAOYSA-N 1 2 358.398 2.338 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCc2ncsc2C1 ZINC000447814221 560169904 /nfs/dbraw/zinc/16/99/04/560169904.db2.gz WXRYLQIRJDCDCZ-UHFFFAOYSA-N 1 2 360.439 2.446 20 5 FEBDLO O=C(CSc1ccc([N+](=O)[O-])cn1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000448100519 560177863 /nfs/dbraw/zinc/17/78/63/560177863.db2.gz DPYCEDCXNJWYQX-UHFFFAOYSA-N 1 2 372.450 2.426 20 5 FEBDLO CC[C@@H](C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OC ZINC000448654905 560192987 /nfs/dbraw/zinc/19/29/87/560192987.db2.gz GECUUCKFMZRVHI-IAQYHMDHSA-N 1 2 360.370 2.098 20 5 FEBDLO CCN(CC)C(=O)C[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450226105 560254556 /nfs/dbraw/zinc/25/45/56/560254556.db2.gz DAAKQLBAKVNYAU-UHFFFAOYSA-N 1 2 371.441 2.133 20 5 FEBDLO CCc1cc(NCC[C@](C)(O)COC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450597490 560267477 /nfs/dbraw/zinc/26/74/77/560267477.db2.gz VJBXHZVKFKGLTR-SFHVURJKSA-N 1 2 360.414 2.236 20 5 FEBDLO CCC[C@]1(CO)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451822827 560330799 /nfs/dbraw/zinc/33/07/99/560330799.db2.gz ILEDZRVMEVYHBI-SFHVURJKSA-N 1 2 358.398 2.405 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H]([C@H](O)C(F)(F)F)C3)n2)cc1 ZINC000451882142 560334159 /nfs/dbraw/zinc/33/41/59/560334159.db2.gz CJAWMEBTAHQQRS-GWCFXTLKSA-N 1 2 372.303 2.390 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H]([C@H](O)C(F)(F)F)C3)n2)cc1 ZINC000451882142 560334160 /nfs/dbraw/zinc/33/41/60/560334160.db2.gz CJAWMEBTAHQQRS-GWCFXTLKSA-N 1 2 372.303 2.390 20 5 FEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452049379 560348003 /nfs/dbraw/zinc/34/80/03/560348003.db2.gz IMEKXIQMCRQXFZ-KBPBESRZSA-N 1 2 357.414 2.236 20 5 FEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452049379 560348004 /nfs/dbraw/zinc/34/80/04/560348004.db2.gz IMEKXIQMCRQXFZ-KBPBESRZSA-N 1 2 357.414 2.236 20 5 FEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000456365688 560517564 /nfs/dbraw/zinc/51/75/64/560517564.db2.gz WBNMTJHHVRTCLF-ZDUSSCGKSA-N 1 2 373.413 2.139 20 5 FEBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457874546 560591728 /nfs/dbraw/zinc/59/17/28/560591728.db2.gz QZBBRGVNGBUOIW-UHFFFAOYSA-N 1 2 367.203 2.372 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC3(CCC3)[C@H]3COC[C@H]32)c([N+](=O)[O-])c1 ZINC000459666127 560701160 /nfs/dbraw/zinc/70/11/60/560701160.db2.gz GUKZHBSJLSVUAM-XJKSGUPXSA-N 1 2 361.398 2.043 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC3(CCC3)[C@H]3COC[C@H]32)c([N+](=O)[O-])c1 ZINC000459666127 560701162 /nfs/dbraw/zinc/70/11/62/560701162.db2.gz GUKZHBSJLSVUAM-XJKSGUPXSA-N 1 2 361.398 2.043 20 5 FEBDLO Cc1sc(S(=O)(=O)N2CCN(C)c3[nH+]cccc32)cc1[N+](=O)[O-] ZINC000467029178 560901851 /nfs/dbraw/zinc/90/18/51/560901851.db2.gz QLQZDJITAOGKBS-UHFFFAOYSA-N 1 2 354.413 2.005 20 5 FEBDLO Cc1sc(S(=O)(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000467060670 560902698 /nfs/dbraw/zinc/90/26/98/560902698.db2.gz ZCRMCGQKXDAISB-MFKMUULPSA-N 1 2 370.456 2.433 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000469846218 560966403 /nfs/dbraw/zinc/96/64/03/560966403.db2.gz JGOVUIJCQRQMJP-JBLDHEPKSA-N 1 2 369.805 2.459 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000469846218 560966404 /nfs/dbraw/zinc/96/64/04/560966404.db2.gz JGOVUIJCQRQMJP-JBLDHEPKSA-N 1 2 369.805 2.459 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ncc(Cl)s2)cc1 ZINC000472072259 561017344 /nfs/dbraw/zinc/01/73/44/561017344.db2.gz DPWRIOFQVLAVLB-UHFFFAOYSA-N 1 2 361.832 2.268 20 5 FEBDLO COc1ccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])cn1 ZINC000472342252 561024644 /nfs/dbraw/zinc/02/46/44/561024644.db2.gz QLWWVYNFLAUZLP-UHFFFAOYSA-N 1 2 358.398 2.443 20 5 FEBDLO CC(C)c1ccc(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000473599773 561053637 /nfs/dbraw/zinc/05/36/37/561053637.db2.gz NIVMXFKHHRXGMQ-UHFFFAOYSA-N 1 2 357.414 2.399 20 5 FEBDLO COc1c(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000474906517 561085175 /nfs/dbraw/zinc/08/51/75/561085175.db2.gz LGYGOUAAJZKUFK-UHFFFAOYSA-N 1 2 356.382 2.397 20 5 FEBDLO Cc1ncc2c(n1)CC[N@@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000532917952 562492564 /nfs/dbraw/zinc/49/25/64/562492564.db2.gz LHTQKPYSDJPWPF-UHFFFAOYSA-N 1 2 369.381 2.050 20 5 FEBDLO Cc1ncc2c(n1)CC[N@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000532917952 562492565 /nfs/dbraw/zinc/49/25/65/562492565.db2.gz LHTQKPYSDJPWPF-UHFFFAOYSA-N 1 2 369.381 2.050 20 5 FEBDLO C[C@H]1C[NH+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H](C)S1 ZINC000533291029 562504140 /nfs/dbraw/zinc/50/41/40/562504140.db2.gz SZFAYRKXJWWXNI-UWVGGRQHSA-N 1 2 353.400 2.088 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000537118236 562585800 /nfs/dbraw/zinc/58/58/00/562585800.db2.gz AXMFDTDRDQUTAX-CYBMUJFWSA-N 1 2 373.388 2.278 20 5 FEBDLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000569012635 568266527 /nfs/dbraw/zinc/26/65/27/568266527.db2.gz DVRHZNMZAZOVIY-OAHLLOKOSA-N 1 2 350.325 2.417 20 5 FEBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H]1CCS(=O)(=O)C1 ZINC000559103610 674528395 /nfs/dbraw/zinc/52/83/95/674528395.db2.gz PENNVGXDYYWUNL-SNVBAGLBSA-N 1 2 366.361 2.480 20 5 FEBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H]1CCS(=O)(=O)C1 ZINC000559103610 674528396 /nfs/dbraw/zinc/52/83/96/674528396.db2.gz PENNVGXDYYWUNL-SNVBAGLBSA-N 1 2 366.361 2.480 20 5 FEBDLO Cc1cccn2cc(CCNc3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])[nH+]c12 ZINC000822366131 606139182 /nfs/dbraw/zinc/13/91/82/606139182.db2.gz CNRZUZSDSLMTGD-UHFFFAOYSA-N 1 2 364.369 2.386 20 5 FEBDLO CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000067419657 670457767 /nfs/dbraw/zinc/45/77/67/670457767.db2.gz QCGRINHMAFFQRY-LBPRGKRZSA-N 1 2 368.821 2.035 20 5 FEBDLO CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000067419657 670457768 /nfs/dbraw/zinc/45/77/68/670457768.db2.gz QCGRINHMAFFQRY-LBPRGKRZSA-N 1 2 368.821 2.035 20 5 FEBDLO C[C@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000104975982 670797481 /nfs/dbraw/zinc/79/74/81/670797481.db2.gz ULWBGXGJUSDFQV-QWRGUYRKSA-N 1 2 356.810 2.479 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000571009874 670800444 /nfs/dbraw/zinc/80/04/44/670800444.db2.gz PGAAAPISUQFZGM-UHFFFAOYSA-N 1 2 350.419 2.390 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000571009874 670800450 /nfs/dbraw/zinc/80/04/50/670800450.db2.gz PGAAAPISUQFZGM-UHFFFAOYSA-N 1 2 350.419 2.390 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000609134709 675911258 /nfs/dbraw/zinc/91/12/58/675911258.db2.gz JKZMWCJHGJLAFT-LBPRGKRZSA-N 1 2 370.818 2.471 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1C ZINC000609134760 675911405 /nfs/dbraw/zinc/91/14/05/675911405.db2.gz SBIZYLNHZDUSBU-AWEZNQCLSA-N 1 2 364.427 2.434 20 5 FEBDLO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000609765803 675935329 /nfs/dbraw/zinc/93/53/29/675935329.db2.gz VTIWUDODHMHFIE-QWHCGFSZSA-N 1 2 353.444 2.061 20 5 FEBDLO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000609765803 675935330 /nfs/dbraw/zinc/93/53/30/675935330.db2.gz VTIWUDODHMHFIE-QWHCGFSZSA-N 1 2 353.444 2.061 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000610213754 675959697 /nfs/dbraw/zinc/95/96/97/675959697.db2.gz PGONWAQIYBZQML-CYBMUJFWSA-N 1 2 351.403 2.026 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000610213754 675959698 /nfs/dbraw/zinc/95/96/98/675959698.db2.gz PGONWAQIYBZQML-CYBMUJFWSA-N 1 2 351.403 2.026 20 5 FEBDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000122458666 671966809 /nfs/dbraw/zinc/96/68/09/671966809.db2.gz JTTCQAVPCBCHPX-CHWSQXEVSA-N 1 2 353.423 2.374 20 5 FEBDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000122458666 671966812 /nfs/dbraw/zinc/96/68/12/671966812.db2.gz JTTCQAVPCBCHPX-CHWSQXEVSA-N 1 2 353.423 2.374 20 5 FEBDLO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000181043757 672421111 /nfs/dbraw/zinc/42/11/11/672421111.db2.gz UPXOWPLKUGCCLW-NSHDSACASA-N 1 2 367.402 2.493 20 5 FEBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000591467002 672683987 /nfs/dbraw/zinc/68/39/87/672683987.db2.gz PQELEKOQWLLISR-UHFFFAOYSA-N 1 2 351.384 2.094 20 5 FEBDLO CS(=O)(=O)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131268 672762226 /nfs/dbraw/zinc/76/22/26/672762226.db2.gz VQFYPJYIVFPMTG-WKILWMFISA-N 1 2 370.471 2.135 20 5 FEBDLO CS(=O)(=O)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131268 672762230 /nfs/dbraw/zinc/76/22/30/672762230.db2.gz VQFYPJYIVFPMTG-WKILWMFISA-N 1 2 370.471 2.135 20 5 FEBDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597094425 673446983 /nfs/dbraw/zinc/44/69/83/673446983.db2.gz HBZGYBNZWSRCLU-UHFFFAOYSA-N 1 2 371.825 2.063 20 5 FEBDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597094425 673446985 /nfs/dbraw/zinc/44/69/85/673446985.db2.gz HBZGYBNZWSRCLU-UHFFFAOYSA-N 1 2 371.825 2.063 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCCCn2cc[nH+]c2)c1C ZINC000539374290 673486510 /nfs/dbraw/zinc/48/65/10/673486510.db2.gz UDUUAZDQQLFVFY-UHFFFAOYSA-N 1 2 352.416 2.167 20 5 FEBDLO CSc1cccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000597707836 673501114 /nfs/dbraw/zinc/50/11/14/673501114.db2.gz TUVUFMVJNAQQFP-ZDUSSCGKSA-N 1 2 365.455 2.254 20 5 FEBDLO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597707875 673501124 /nfs/dbraw/zinc/50/11/24/673501124.db2.gz UPOOYCUOBNIOOS-GFCCVEGCSA-N 1 2 353.806 2.185 20 5 FEBDLO Cc1ccc(S(=O)(=O)N(C)c2ccc[nH+]c2N(C)C)c(C)c1[N+](=O)[O-] ZINC000598610037 673590127 /nfs/dbraw/zinc/59/01/27/673590127.db2.gz VWZXVBMSQAVLEP-UHFFFAOYSA-N 1 2 364.427 2.498 20 5 FEBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000741146921 673673194 /nfs/dbraw/zinc/67/31/94/673673194.db2.gz QTXZGNJVLPJTHS-GFCCVEGCSA-N 1 2 355.778 2.214 20 5 FEBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000741146921 673673195 /nfs/dbraw/zinc/67/31/95/673673195.db2.gz QTXZGNJVLPJTHS-GFCCVEGCSA-N 1 2 355.778 2.214 20 5 FEBDLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000745080831 673824367 /nfs/dbraw/zinc/82/43/67/673824367.db2.gz VNODTOMOVPHYIB-ZDUSSCGKSA-N 1 2 355.778 2.214 20 5 FEBDLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000745080831 673824371 /nfs/dbraw/zinc/82/43/71/673824371.db2.gz VNODTOMOVPHYIB-ZDUSSCGKSA-N 1 2 355.778 2.214 20 5 FEBDLO COC(=O)COc1ccc(C[NH2+][C@H](C)c2cscn2)cc1[N+](=O)[O-] ZINC000566500491 675219394 /nfs/dbraw/zinc/21/93/94/675219394.db2.gz IZPHKFTZWHXWQQ-SNVBAGLBSA-N 1 2 351.384 2.454 20 5 FEBDLO C[S@](=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000764157682 680801218 /nfs/dbraw/zinc/80/12/18/680801218.db2.gz RODHZZYNCFEHQY-VWLOTQADSA-N 1 2 369.487 2.273 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1Cl ZINC000836634368 680492986 /nfs/dbraw/zinc/49/29/86/680492986.db2.gz MMLPIFYEHXIYNR-NEPJUHHUSA-N 1 2 355.822 2.396 20 5 FEBDLO CCOCC[NH+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000757704964 680533058 /nfs/dbraw/zinc/53/30/58/680533058.db2.gz YRWODKNUUIHIFI-UHFFFAOYSA-N 1 2 371.821 2.193 20 5 FEBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000874705956 685450258 /nfs/dbraw/zinc/45/02/58/685450258.db2.gz IVRAQVWJQONKFJ-LBPRGKRZSA-N 1 2 353.444 2.157 20 5 FEBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000874705956 685450263 /nfs/dbraw/zinc/45/02/63/685450263.db2.gz IVRAQVWJQONKFJ-LBPRGKRZSA-N 1 2 353.444 2.157 20 5 FEBDLO O=C(NCCCCn1cc[nH+]c1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848581335 681582725 /nfs/dbraw/zinc/58/27/25/681582725.db2.gz PRLZBHCEYUILGU-UHFFFAOYSA-N 1 2 354.313 2.360 20 5 FEBDLO Cc1cc(Cl)c(C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000913460493 685477902 /nfs/dbraw/zinc/47/79/02/685477902.db2.gz OJNNVTRXXQOYBR-CQSZACIVSA-N 1 2 363.805 2.077 20 5 FEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000855406145 682666102 /nfs/dbraw/zinc/66/61/02/682666102.db2.gz CGPIGQAMGZCJLH-MNOVXSKESA-N 1 2 373.812 2.155 20 5 FEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000855406145 682666104 /nfs/dbraw/zinc/66/61/04/682666104.db2.gz CGPIGQAMGZCJLH-MNOVXSKESA-N 1 2 373.812 2.155 20 5 FEBDLO O=C(NCC1SCCS1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000856160565 682748634 /nfs/dbraw/zinc/74/86/34/682748634.db2.gz STWXQMBTTFLHPF-UHFFFAOYSA-N 1 2 350.425 2.316 20 5 FEBDLO CC[NH+](CC)Cc1csc(NC(=O)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000919852351 683303057 /nfs/dbraw/zinc/30/30/57/683303057.db2.gz HYLACENAENGRHA-UHFFFAOYSA-N 1 2 352.420 2.118 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000929213162 683563416 /nfs/dbraw/zinc/56/34/16/683563416.db2.gz YMSJKKNUBCEXRP-LLVKDONJSA-N 1 2 356.810 2.433 20 5 FEBDLO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CCC[C@H](OCCO)C2)c1 ZINC000929653113 683623191 /nfs/dbraw/zinc/62/31/91/683623191.db2.gz GLXGMYMFAQMRIQ-ZDUSSCGKSA-N 1 2 359.220 2.331 20 5 FEBDLO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CCC[C@H](OCCO)C2)c1 ZINC000929653113 683623194 /nfs/dbraw/zinc/62/31/94/683623194.db2.gz GLXGMYMFAQMRIQ-ZDUSSCGKSA-N 1 2 359.220 2.331 20 5 FEBDLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)OCc2cc([N+](=O)[O-])ccc2Br)O1 ZINC000922880958 683796787 /nfs/dbraw/zinc/79/67/87/683796787.db2.gz GLXLBUTZKLBPHC-NOZJJQNGSA-N 1 2 373.203 2.120 20 5 FEBDLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)OCc2cc([N+](=O)[O-])ccc2Br)O1 ZINC000922880958 683796793 /nfs/dbraw/zinc/79/67/93/683796793.db2.gz GLXLBUTZKLBPHC-NOZJJQNGSA-N 1 2 373.203 2.120 20 5 FEBDLO CO[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)[C@](C)(CO)C1 ZINC000931471587 684287461 /nfs/dbraw/zinc/28/74/61/684287461.db2.gz SPSHLHNDFLZJJY-JSGCOSHPSA-N 1 2 359.220 2.329 20 5 FEBDLO CO[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)[C@](C)(CO)C1 ZINC000931471587 684287467 /nfs/dbraw/zinc/28/74/67/684287467.db2.gz SPSHLHNDFLZJJY-JSGCOSHPSA-N 1 2 359.220 2.329 20 5 FEBDLO C[C@@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000925242188 684543773 /nfs/dbraw/zinc/54/37/73/684543773.db2.gz XMKICWQGZXETKR-UONOGXRCSA-N 1 2 350.419 2.018 20 5 FEBDLO NC(=O)[C@H](F)C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000879042294 686722450 /nfs/dbraw/zinc/72/24/50/686722450.db2.gz YMDWNTNTHRBDCG-CYBMUJFWSA-N 1 2 374.210 2.393 20 5 FEBDLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000898498341 690195078 /nfs/dbraw/zinc/19/50/78/690195078.db2.gz IRWWBEDIEHTJRH-SNVBAGLBSA-N 1 2 361.320 2.360 20 5 FEBDLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000898498341 690195082 /nfs/dbraw/zinc/19/50/82/690195082.db2.gz IRWWBEDIEHTJRH-SNVBAGLBSA-N 1 2 361.320 2.360 20 5 FEBDLO CNC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000007880750 539470524 /nfs/dbraw/zinc/47/05/24/539470524.db2.gz WUFDQKKDFSUSKZ-UHFFFAOYSA-N 1 2 356.382 2.025 20 5 FEBDLO CNC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000007880750 539470527 /nfs/dbraw/zinc/47/05/27/539470527.db2.gz WUFDQKKDFSUSKZ-UHFFFAOYSA-N 1 2 356.382 2.025 20 5 FEBDLO O=C(C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)NCc1ccc(F)cc1 ZINC000016565372 539633204 /nfs/dbraw/zinc/63/32/04/539633204.db2.gz SXDMYWAUBASKPC-UHFFFAOYSA-N 1 2 372.400 2.172 20 5 FEBDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016565558 539633310 /nfs/dbraw/zinc/63/33/10/539633310.db2.gz URVIWPNYADTKPH-CVEARBPZSA-N 1 2 360.458 2.412 20 5 FEBDLO CC(=O)NCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCSCC1 ZINC000549850229 674066711 /nfs/dbraw/zinc/06/67/11/674066711.db2.gz QTNOOHDZNSQSLF-UHFFFAOYSA-N 1 2 353.444 2.134 20 5 FEBDLO CC(=O)NCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCSCC1 ZINC000549850229 674066716 /nfs/dbraw/zinc/06/67/16/674066716.db2.gz QTNOOHDZNSQSLF-UHFFFAOYSA-N 1 2 353.444 2.134 20 5 FEBDLO COc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1OC ZINC000022813603 539700855 /nfs/dbraw/zinc/70/08/55/539700855.db2.gz APEIHUIPHDOENQ-UHFFFAOYSA-N 1 2 358.398 2.329 20 5 FEBDLO Cc1cccc(NC(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1C ZINC000026481108 539787763 /nfs/dbraw/zinc/78/77/63/539787763.db2.gz MKXVORYIVNQWQW-UHFFFAOYSA-N 1 2 369.425 2.367 20 5 FEBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC2(CC1)OCCO2 ZINC000028077302 539826217 /nfs/dbraw/zinc/82/62/17/539826217.db2.gz WBOWGGLSBYSTFX-NSHDSACASA-N 1 2 369.805 2.414 20 5 FEBDLO CNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000029162029 539845645 /nfs/dbraw/zinc/84/56/45/539845645.db2.gz GCRZCXIUJQJYQI-SNVBAGLBSA-N 1 2 368.821 2.033 20 5 FEBDLO O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000028935767 539840149 /nfs/dbraw/zinc/84/01/49/539840149.db2.gz ZWTPVCAXIBEEPY-UHFFFAOYSA-N 1 2 359.342 2.347 20 5 FEBDLO O=[N+]([O-])c1ccccc1NCCNc1nc(NCCO)c2ccccc2[nH+]1 ZINC000029078849 539842343 /nfs/dbraw/zinc/84/23/43/539842343.db2.gz SCWTVPPFKMUJDV-UHFFFAOYSA-N 1 2 368.397 2.466 20 5 FEBDLO Cc1cc(N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000051767227 540444355 /nfs/dbraw/zinc/44/43/55/540444355.db2.gz YAPRKAFRBCCIFW-INIZCTEOSA-N 1 2 360.458 2.426 20 5 FEBDLO CCCNC(=O)C[N@H+](CCC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000053366985 540529681 /nfs/dbraw/zinc/52/96/81/540529681.db2.gz WPZHJOPTRCDZBA-UHFFFAOYSA-N 1 2 361.402 2.383 20 5 FEBDLO CCCNC(=O)C[N@@H+](CCC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000053366985 540529684 /nfs/dbraw/zinc/52/96/84/540529684.db2.gz WPZHJOPTRCDZBA-UHFFFAOYSA-N 1 2 361.402 2.383 20 5 FEBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000056194332 540710916 /nfs/dbraw/zinc/71/09/16/540710916.db2.gz RDPNBOCLFGLPJR-UHFFFAOYSA-N 1 2 365.393 2.429 20 5 FEBDLO Cc1nn(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)c(C)c1[N+](=O)[O-] ZINC000058873433 540858316 /nfs/dbraw/zinc/85/83/16/540858316.db2.gz GWNNTVCENQAOEI-UHFFFAOYSA-N 1 2 364.431 2.099 20 5 FEBDLO O=[N+]([O-])c1cnccc1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000060375351 541108166 /nfs/dbraw/zinc/10/81/66/541108166.db2.gz KVLLPDZYBKIIEH-UHFFFAOYSA-N 1 2 358.398 2.313 20 5 FEBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(OCC)CC2)c([N+](=O)[O-])c1 ZINC000060493751 541114778 /nfs/dbraw/zinc/11/47/78/541114778.db2.gz DRGAWYSNMNIJPU-UHFFFAOYSA-N 1 2 351.403 2.433 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000067037173 541408871 /nfs/dbraw/zinc/40/88/71/541408871.db2.gz MTTKHXVPRAPPRY-UHFFFAOYSA-N 1 2 356.382 2.065 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000068219688 541565171 /nfs/dbraw/zinc/56/51/71/541565171.db2.gz KHJHLGCEALPJJI-UHFFFAOYSA-N 1 2 364.431 2.181 20 5 FEBDLO COc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000076907805 542328445 /nfs/dbraw/zinc/32/84/45/542328445.db2.gz ARODNDKUMAJGOC-HNNXBMFYSA-N 1 2 359.382 2.477 20 5 FEBDLO COc1ccc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000076907805 542328449 /nfs/dbraw/zinc/32/84/49/542328449.db2.gz ARODNDKUMAJGOC-HNNXBMFYSA-N 1 2 359.382 2.477 20 5 FEBDLO Cc1ccc(CCNc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])c[nH+]1 ZINC000080981724 542622105 /nfs/dbraw/zinc/62/21/05/542622105.db2.gz FGAUCUQSTJYRQQ-UHFFFAOYSA-N 1 2 370.409 2.425 20 5 FEBDLO NC(=O)C1CCN(c2[nH+]cccc2CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000078445537 132190231 /nfs/dbraw/zinc/19/02/31/132190231.db2.gz GATIMKJZAHAIOS-UHFFFAOYSA-N 1 2 355.398 2.304 20 5 FEBDLO COc1cc(CNc2[nH+]cccc2N2CCOCC2)cc([N+](=O)[O-])c1O ZINC000359871140 132375642 /nfs/dbraw/zinc/37/56/42/132375642.db2.gz MOKAXWGYAKRYCO-UHFFFAOYSA-N 1 2 360.370 2.153 20 5 FEBDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000103474686 543109679 /nfs/dbraw/zinc/10/96/79/543109679.db2.gz QXQCIQPFCAXJIZ-LBPRGKRZSA-N 1 2 361.402 2.186 20 5 FEBDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000103474686 543109681 /nfs/dbraw/zinc/10/96/81/543109681.db2.gz QXQCIQPFCAXJIZ-LBPRGKRZSA-N 1 2 361.402 2.186 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000109758099 543337675 /nfs/dbraw/zinc/33/76/75/543337675.db2.gz JQXQHUBEMFBCRM-RISCZKNCSA-N 1 2 361.320 2.229 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000109758099 543337676 /nfs/dbraw/zinc/33/76/76/543337676.db2.gz JQXQHUBEMFBCRM-RISCZKNCSA-N 1 2 361.320 2.229 20 5 FEBDLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000111291485 543393184 /nfs/dbraw/zinc/39/31/84/543393184.db2.gz WKSWPHOZQWIRNJ-OAHLLOKOSA-N 1 2 371.397 2.232 20 5 FEBDLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000111291485 543393188 /nfs/dbraw/zinc/39/31/88/543393188.db2.gz WKSWPHOZQWIRNJ-OAHLLOKOSA-N 1 2 371.397 2.232 20 5 FEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(Cc2[nH+]ccn2C)CC1 ZINC000113253897 543479666 /nfs/dbraw/zinc/47/96/66/543479666.db2.gz RGSHQSSMDZAGCU-UHFFFAOYSA-N 1 2 373.457 2.433 20 5 FEBDLO COc1cc(C[N@H+](C)[C@H](C)C[S@](C)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000126344733 543931002 /nfs/dbraw/zinc/93/10/02/543931002.db2.gz ZYHKBUYEXSMNNM-MXUQEVIESA-N 1 2 366.386 2.404 20 5 FEBDLO COc1cc(C[N@@H+](C)[C@H](C)C[S@](C)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000126344733 543931006 /nfs/dbraw/zinc/93/10/06/543931006.db2.gz ZYHKBUYEXSMNNM-MXUQEVIESA-N 1 2 366.386 2.404 20 5 FEBDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000127471585 543995228 /nfs/dbraw/zinc/99/52/28/543995228.db2.gz BIBRFSFCCBOYQE-UHFFFAOYSA-N 1 2 351.384 2.140 20 5 FEBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000132359424 544228604 /nfs/dbraw/zinc/22/86/04/544228604.db2.gz OBIQIVGHNRHXET-CYBMUJFWSA-N 1 2 371.390 2.217 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c([N+](=O)[O-])c1 ZINC000135585954 544354783 /nfs/dbraw/zinc/35/47/83/544354783.db2.gz CECYCBQONYPSKC-OAHLLOKOSA-N 1 2 373.413 2.285 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c([N+](=O)[O-])c1 ZINC000135585954 544354786 /nfs/dbraw/zinc/35/47/86/544354786.db2.gz CECYCBQONYPSKC-OAHLLOKOSA-N 1 2 373.413 2.285 20 5 FEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000136033839 544365537 /nfs/dbraw/zinc/36/55/37/544365537.db2.gz KKFXOZJVIOUZDV-GFCCVEGCSA-N 1 2 353.444 2.157 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000137297260 544388404 /nfs/dbraw/zinc/38/84/04/544388404.db2.gz QOTDTNTYPOUEDB-CYBMUJFWSA-N 1 2 353.806 2.185 20 5 FEBDLO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000150978173 544493229 /nfs/dbraw/zinc/49/32/29/544493229.db2.gz VEBKBJSGMPIECI-ZDUSSCGKSA-N 1 2 366.381 2.465 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000151148502 544509890 /nfs/dbraw/zinc/50/98/90/544509890.db2.gz JJUQQBYDHHGWGC-CQSZACIVSA-N 1 2 363.395 2.140 20 5 FEBDLO CN(C(=O)C[NH+]1CCC(N2CCCCC2=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000153097324 544732777 /nfs/dbraw/zinc/73/27/77/544732777.db2.gz FJQJHJVLTIATJO-UHFFFAOYSA-N 1 2 374.441 2.035 20 5 FEBDLO O=C1c2ccccc2C(=O)N1CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153358735 544765137 /nfs/dbraw/zinc/76/51/37/544765137.db2.gz YCISMXFHAOXLOE-UHFFFAOYSA-N 1 2 351.362 2.249 20 5 FEBDLO O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153358735 544765140 /nfs/dbraw/zinc/76/51/40/544765140.db2.gz YCISMXFHAOXLOE-UHFFFAOYSA-N 1 2 351.362 2.249 20 5 FEBDLO O=C(Nc1nccs1)[C@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154539921 544918670 /nfs/dbraw/zinc/91/86/70/544918670.db2.gz MKFFVSYVDPRYJS-ZIAGYGMSSA-N 1 2 362.411 2.188 20 5 FEBDLO O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154539921 544918674 /nfs/dbraw/zinc/91/86/74/544918674.db2.gz MKFFVSYVDPRYJS-ZIAGYGMSSA-N 1 2 362.411 2.188 20 5 FEBDLO CNc1ccc(S(=O)(=O)N(C)Cc2ccc(C)[nH+]c2C)cc1[N+](=O)[O-] ZINC000185274553 327909421 /nfs/dbraw/zinc/90/94/21/327909421.db2.gz QTPVEGGLWNOUTE-UHFFFAOYSA-N 1 2 364.427 2.469 20 5 FEBDLO COc1cc(C(=O)NCc2cccnc2-n2cc[nH+]c2)cc([N+](=O)[O-])c1C ZINC000188005885 328059684 /nfs/dbraw/zinc/05/96/84/328059684.db2.gz KKRQVRMKFLDYQG-UHFFFAOYSA-N 1 2 367.365 2.423 20 5 FEBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@@H](O)COc3ccccc3F)C2)cc1 ZINC000189461875 328149762 /nfs/dbraw/zinc/14/97/62/328149762.db2.gz HEZDTCXNWFOUAZ-CQSZACIVSA-N 1 2 362.357 2.237 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N(C)CCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000190078681 328186502 /nfs/dbraw/zinc/18/65/02/328186502.db2.gz LQSSUCURUMHYHQ-UHFFFAOYSA-N 1 2 352.416 2.119 20 5 FEBDLO COC(=O)[C@@H](C)N(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCC1 ZINC000190408230 328205978 /nfs/dbraw/zinc/20/59/78/328205978.db2.gz ZJJHMTFJECOVRO-GFCCVEGCSA-N 1 2 372.381 2.337 20 5 FEBDLO COC(=O)[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C ZINC000191793355 328282340 /nfs/dbraw/zinc/28/23/40/328282340.db2.gz JBUGDRXZRDVPSH-FZMZJTMJSA-N 1 2 360.370 2.276 20 5 FEBDLO COC(=O)[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C ZINC000191793355 328282342 /nfs/dbraw/zinc/28/23/42/328282342.db2.gz JBUGDRXZRDVPSH-FZMZJTMJSA-N 1 2 360.370 2.276 20 5 FEBDLO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192635708 328330139 /nfs/dbraw/zinc/33/01/39/328330139.db2.gz XGSJJCAPSRMYNR-DZGCQCFKSA-N 1 2 362.430 2.431 20 5 FEBDLO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192635708 328330141 /nfs/dbraw/zinc/33/01/41/328330141.db2.gz XGSJJCAPSRMYNR-DZGCQCFKSA-N 1 2 362.430 2.431 20 5 FEBDLO C[NH+]1CCN([C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)c2ccccc2)CC1 ZINC000092548845 325419243 /nfs/dbraw/zinc/41/92/43/325419243.db2.gz FGZQGNZURPKAAW-SFHVURJKSA-N 1 2 370.409 2.228 20 5 FEBDLO Cc1c[nH+]ccc1NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC000107291921 325623548 /nfs/dbraw/zinc/62/35/48/325623548.db2.gz XXOHTUWOBYKLHR-UHFFFAOYSA-N 1 2 365.349 2.405 20 5 FEBDLO CCc1nn(C)c(Cl)c1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000110577113 325689418 /nfs/dbraw/zinc/68/94/18/325689418.db2.gz QCBYOVVHXHLXSJ-UHFFFAOYSA-N 1 2 364.837 2.261 20 5 FEBDLO O=C(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cccc(F)c1 ZINC000118865978 326109560 /nfs/dbraw/zinc/10/95/60/326109560.db2.gz IPDLYDRDULWVPF-AWEZNQCLSA-N 1 2 359.361 2.254 20 5 FEBDLO O=C(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cccc(F)c1 ZINC000118865978 326109563 /nfs/dbraw/zinc/10/95/63/326109563.db2.gz IPDLYDRDULWVPF-AWEZNQCLSA-N 1 2 359.361 2.254 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000121301662 326327936 /nfs/dbraw/zinc/32/79/36/326327936.db2.gz PTNVCASMNXVLOX-JTQLQIEISA-N 1 2 370.818 2.046 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000125936349 326480407 /nfs/dbraw/zinc/48/04/07/326480407.db2.gz VQXWTFVYWFWXHY-JTQLQIEISA-N 1 2 361.320 2.064 20 5 FEBDLO COCC(=O)N1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000128701886 326528396 /nfs/dbraw/zinc/52/83/96/326528396.db2.gz MKYQUQBLLAHMKU-UHFFFAOYSA-N 1 2 359.382 2.145 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000130206003 326552955 /nfs/dbraw/zinc/55/29/55/326552955.db2.gz ZGCLCDHMDZQDHK-LBPRGKRZSA-N 1 2 363.443 2.067 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N(C)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000134547553 326627556 /nfs/dbraw/zinc/62/75/56/326627556.db2.gz VUQBFUWDTACICM-UHFFFAOYSA-N 1 2 372.834 2.464 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000151284818 326678666 /nfs/dbraw/zinc/67/86/66/326678666.db2.gz HTXDNDQRULQNKR-CZUORRHYSA-N 1 2 364.427 2.372 20 5 FEBDLO CCOC(=O)N1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000158363974 326893505 /nfs/dbraw/zinc/89/35/05/326893505.db2.gz KMYXTXPYXMDDJJ-UHFFFAOYSA-N 1 2 373.413 2.269 20 5 FEBDLO CC(C)C(=O)N1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000170821128 327100555 /nfs/dbraw/zinc/10/05/55/327100555.db2.gz HGTXJAWFQKHRGR-UHFFFAOYSA-N 1 2 373.413 2.335 20 5 FEBDLO CC(C)C(=O)N1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000170821128 327100556 /nfs/dbraw/zinc/10/05/56/327100556.db2.gz HGTXJAWFQKHRGR-UHFFFAOYSA-N 1 2 373.413 2.335 20 5 FEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000172740625 327216208 /nfs/dbraw/zinc/21/62/08/327216208.db2.gz CYHUSIBBHWWNCY-IBGZPJMESA-N 1 2 369.421 2.327 20 5 FEBDLO CNC(=O)CC1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000175029377 327369387 /nfs/dbraw/zinc/36/93/87/327369387.db2.gz INTVSAWBCKEMHQ-UHFFFAOYSA-N 1 2 368.821 2.035 20 5 FEBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000178304330 327577362 /nfs/dbraw/zinc/57/73/62/327577362.db2.gz BQOYFEHJCJNYPK-UHFFFAOYSA-N 1 2 370.409 2.135 20 5 FEBDLO COc1cc(C(=O)NCCCNc2cccc[nH+]2)c([N+](=O)[O-])cc1OC ZINC000265456030 329128959 /nfs/dbraw/zinc/12/89/59/329128959.db2.gz LUHFUBAFQZDDRC-UHFFFAOYSA-N 1 2 360.370 2.239 20 5 FEBDLO COc1ccc(OCCSc2[nH+]cnc3c2cnn3C)c([N+](=O)[O-])c1 ZINC000265979111 329178667 /nfs/dbraw/zinc/17/86/67/329178667.db2.gz BALCXSZEBSUTEZ-UHFFFAOYSA-N 1 2 361.383 2.451 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000266775345 329258772 /nfs/dbraw/zinc/25/87/72/329258772.db2.gz YKRLZFZSWWNABS-GXTWGEPZSA-N 1 2 361.320 2.229 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000266775345 329258774 /nfs/dbraw/zinc/25/87/74/329258774.db2.gz YKRLZFZSWWNABS-GXTWGEPZSA-N 1 2 361.320 2.229 20 5 FEBDLO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272502781 329786276 /nfs/dbraw/zinc/78/62/76/329786276.db2.gz HLAZOWQTVNJAPY-CXAGYDPISA-N 1 2 359.430 2.312 20 5 FEBDLO CN(C)c1ccc(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c[nH+]1 ZINC000276085225 330117938 /nfs/dbraw/zinc/11/79/38/330117938.db2.gz PAMAPYWBGUIKAP-UHFFFAOYSA-N 1 2 350.400 2.071 20 5 FEBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCOC[C@H]1C1CC1 ZINC000367239686 330234632 /nfs/dbraw/zinc/23/46/32/330234632.db2.gz FCJKPNKPGOEINS-SFHVURJKSA-N 1 2 359.426 2.197 20 5 FEBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCOC[C@H]1C1CC1 ZINC000367239686 330234633 /nfs/dbraw/zinc/23/46/33/330234633.db2.gz FCJKPNKPGOEINS-SFHVURJKSA-N 1 2 359.426 2.197 20 5 FEBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NCC(=O)c1cccs1 ZINC000554847328 674338356 /nfs/dbraw/zinc/33/83/56/674338356.db2.gz AHQNKHVCBMBQLS-UHFFFAOYSA-N 1 2 361.423 2.130 20 5 FEBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NCC(=O)c1cccs1 ZINC000554847328 674338360 /nfs/dbraw/zinc/33/83/60/674338360.db2.gz AHQNKHVCBMBQLS-UHFFFAOYSA-N 1 2 361.423 2.130 20 5 FEBDLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000155457142 545528871 /nfs/dbraw/zinc/52/88/71/545528871.db2.gz XMMPOUZOKVWQJW-ZDUSSCGKSA-N 1 2 371.353 2.297 20 5 FEBDLO O=[N+]([O-])c1cc(Cc2ccccc2)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000155470921 545530133 /nfs/dbraw/zinc/53/01/33/545530133.db2.gz RTFJKLOJASNJNL-SFHVURJKSA-N 1 2 372.421 2.258 20 5 FEBDLO C[C@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000156008209 545591884 /nfs/dbraw/zinc/59/18/84/545591884.db2.gz DSTCVVGCCOGFTR-BBRMVZONSA-N 1 2 364.427 2.204 20 5 FEBDLO O=C(C[NH+]1CCC(NC(=O)c2ccoc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000166423060 546157904 /nfs/dbraw/zinc/15/79/04/546157904.db2.gz WALFUKOSHQYVER-UHFFFAOYSA-N 1 2 372.381 2.021 20 5 FEBDLO Cc1c(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000479754587 561196382 /nfs/dbraw/zinc/19/63/82/561196382.db2.gz ZBAGEGGZRFZZMV-OAHLLOKOSA-N 1 2 355.398 2.376 20 5 FEBDLO CCN1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000480690932 561214479 /nfs/dbraw/zinc/21/44/79/561214479.db2.gz DGVWALSCKZHFOU-HNNXBMFYSA-N 1 2 373.413 2.296 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1C ZINC000178297572 546771205 /nfs/dbraw/zinc/77/12/05/546771205.db2.gz PYGNYQUFZYZRQB-CQSZACIVSA-N 1 2 353.444 2.070 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1C ZINC000178297572 546771211 /nfs/dbraw/zinc/77/12/11/546771211.db2.gz PYGNYQUFZYZRQB-CQSZACIVSA-N 1 2 353.444 2.070 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000481499369 561234381 /nfs/dbraw/zinc/23/43/81/561234381.db2.gz MKGLPANFHJRBQA-WFASDCNBSA-N 1 2 352.387 2.256 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000481499369 561234382 /nfs/dbraw/zinc/23/43/82/561234382.db2.gz MKGLPANFHJRBQA-WFASDCNBSA-N 1 2 352.387 2.256 20 5 FEBDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccccc1 ZINC000178950006 546879930 /nfs/dbraw/zinc/87/99/30/546879930.db2.gz CVWJFWCXIUGRKA-DOMZBBRYSA-N 1 2 367.452 2.380 20 5 FEBDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccccc1 ZINC000178950006 546879933 /nfs/dbraw/zinc/87/99/33/546879933.db2.gz CVWJFWCXIUGRKA-DOMZBBRYSA-N 1 2 367.452 2.380 20 5 FEBDLO CCc1cc(NCCNC(=O)N(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000179507234 546968215 /nfs/dbraw/zinc/96/82/15/546968215.db2.gz XEHGWZPDQHVCOU-UHFFFAOYSA-N 1 2 358.402 2.297 20 5 FEBDLO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000180121550 547055754 /nfs/dbraw/zinc/05/57/54/547055754.db2.gz BKMLPHVMSHWUIN-HNNXBMFYSA-N 1 2 364.427 2.417 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2[C@@H](CO)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000181401290 547307983 /nfs/dbraw/zinc/30/79/83/547307983.db2.gz RJFLOXDWFOLYTA-QWHCGFSZSA-N 1 2 351.403 2.167 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2[C@@H](CO)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000181401290 547307986 /nfs/dbraw/zinc/30/79/86/547307986.db2.gz RJFLOXDWFOLYTA-QWHCGFSZSA-N 1 2 351.403 2.167 20 5 FEBDLO COc1ccc(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000181798008 547382792 /nfs/dbraw/zinc/38/27/92/547382792.db2.gz GLOKSGVOFMIBEK-HNNXBMFYSA-N 1 2 364.423 2.479 20 5 FEBDLO C[NH+](C)CCOc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181940635 547409452 /nfs/dbraw/zinc/40/94/52/547409452.db2.gz RGCMFLUTBLTZMX-UHFFFAOYSA-N 1 2 359.382 2.171 20 5 FEBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182002721 547420441 /nfs/dbraw/zinc/42/04/41/547420441.db2.gz VTHVXBKVZAVCHK-GFCCVEGCSA-N 1 2 366.849 2.033 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000182674925 547531202 /nfs/dbraw/zinc/53/12/02/547531202.db2.gz LIHRSWKMNUUPHN-AWEZNQCLSA-N 1 2 374.401 2.277 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000182674925 547531205 /nfs/dbraw/zinc/53/12/05/547531205.db2.gz LIHRSWKMNUUPHN-AWEZNQCLSA-N 1 2 374.401 2.277 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000183329149 547639555 /nfs/dbraw/zinc/63/95/55/547639555.db2.gz GXRFPQJWAIOFHK-MRXNPFEDSA-N 1 2 374.485 2.468 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000183329149 547639558 /nfs/dbraw/zinc/63/95/58/547639558.db2.gz GXRFPQJWAIOFHK-MRXNPFEDSA-N 1 2 374.485 2.468 20 5 FEBDLO COc1cc(C[N@@H+]2CCCC[C@@]2(C)C(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000185966582 548066239 /nfs/dbraw/zinc/06/62/39/548066239.db2.gz BNTGYWKFJKWKGZ-INIZCTEOSA-N 1 2 373.356 2.435 20 5 FEBDLO COc1cc(C[N@H+]2CCCC[C@@]2(C)C(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000185966582 548066244 /nfs/dbraw/zinc/06/62/44/548066244.db2.gz BNTGYWKFJKWKGZ-INIZCTEOSA-N 1 2 373.356 2.435 20 5 FEBDLO COC(=O)c1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1C ZINC000488236389 561386643 /nfs/dbraw/zinc/38/66/43/561386643.db2.gz WJWJZZRHQPACOK-UHFFFAOYSA-N 1 2 369.337 2.158 20 5 FEBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)[C@H]2C1 ZINC000246433222 549132132 /nfs/dbraw/zinc/13/21/32/549132132.db2.gz INBJSDZENFNCEA-PMPSAXMXSA-N 1 2 374.397 2.413 20 5 FEBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)[C@H]2C1 ZINC000246433222 549132135 /nfs/dbraw/zinc/13/21/35/549132135.db2.gz INBJSDZENFNCEA-PMPSAXMXSA-N 1 2 374.397 2.413 20 5 FEBDLO COc1ccc(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000488789860 561397060 /nfs/dbraw/zinc/39/70/60/561397060.db2.gz AGGOBZSMPUOLAD-OAHLLOKOSA-N 1 2 362.430 2.181 20 5 FEBDLO COc1ccc(C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000488789860 561397061 /nfs/dbraw/zinc/39/70/61/561397061.db2.gz AGGOBZSMPUOLAD-OAHLLOKOSA-N 1 2 362.430 2.181 20 5 FEBDLO CC[C@@H]1C[N@H+](CCNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CCO1 ZINC000489086203 561403026 /nfs/dbraw/zinc/40/30/26/561403026.db2.gz WYLKSBJNZRCZRH-CQSZACIVSA-N 1 2 350.419 2.444 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CCO1 ZINC000489086203 561403027 /nfs/dbraw/zinc/40/30/27/561403027.db2.gz WYLKSBJNZRCZRH-CQSZACIVSA-N 1 2 350.419 2.444 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247294080 549312937 /nfs/dbraw/zinc/31/29/37/549312937.db2.gz FERREZRCHLPFFU-DOMZBBRYSA-N 1 2 364.427 2.372 20 5 FEBDLO O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000247665899 549370577 /nfs/dbraw/zinc/37/05/77/549370577.db2.gz YAZLRINLJWILNG-VBQJREDUSA-N 1 2 356.382 2.468 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000248471052 549446993 /nfs/dbraw/zinc/44/69/93/549446993.db2.gz IMJHKLGXHZFMJW-CXAGYDPISA-N 1 2 370.409 2.336 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000248471052 549446996 /nfs/dbraw/zinc/44/69/96/549446996.db2.gz IMJHKLGXHZFMJW-CXAGYDPISA-N 1 2 370.409 2.336 20 5 FEBDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000248853268 549513490 /nfs/dbraw/zinc/51/34/90/549513490.db2.gz QLXOSSODZBHFSB-NOLJZWGESA-N 1 2 372.381 2.418 20 5 FEBDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000248853268 549513491 /nfs/dbraw/zinc/51/34/91/549513491.db2.gz QLXOSSODZBHFSB-NOLJZWGESA-N 1 2 372.381 2.418 20 5 FEBDLO CCOc1cc(N2CC[NH+](C(C)(C)C(=O)OC)CC2)ccc1[N+](=O)[O-] ZINC000489952344 561423102 /nfs/dbraw/zinc/42/31/02/561423102.db2.gz LXWGAPJUHXUOOY-UHFFFAOYSA-N 1 2 351.403 2.067 20 5 FEBDLO COc1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])cc1OC ZINC000263940643 549958050 /nfs/dbraw/zinc/95/80/50/549958050.db2.gz ITRBBTUIIRIJLM-LLVKDONJSA-N 1 2 360.370 2.355 20 5 FEBDLO O=C(C[N@@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000268999041 550142620 /nfs/dbraw/zinc/14/26/20/550142620.db2.gz YTAPDMLHABYWHU-GXTWGEPZSA-N 1 2 371.846 2.393 20 5 FEBDLO O=C(C[N@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000268999041 550142621 /nfs/dbraw/zinc/14/26/21/550142621.db2.gz YTAPDMLHABYWHU-GXTWGEPZSA-N 1 2 371.846 2.393 20 5 FEBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000492652531 561452188 /nfs/dbraw/zinc/45/21/88/561452188.db2.gz CFDNTMJCRHGRDV-KOLCDFICSA-N 1 2 364.789 2.412 20 5 FEBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000492652531 561452189 /nfs/dbraw/zinc/45/21/89/561452189.db2.gz CFDNTMJCRHGRDV-KOLCDFICSA-N 1 2 364.789 2.412 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](c2[nH]cc[nH+]2)c2ccccc2)n1 ZINC000492826308 561452961 /nfs/dbraw/zinc/45/29/61/561452961.db2.gz DHQQOSCFKSUGDF-HNNXBMFYSA-N 1 2 354.370 2.396 20 5 FEBDLO CC[C@@H](NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000493049440 561454251 /nfs/dbraw/zinc/45/42/51/561454251.db2.gz ISBQSCXWCFYUQS-MRXNPFEDSA-N 1 2 372.429 2.296 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](CO)c1ccccc1 ZINC000269600709 550209490 /nfs/dbraw/zinc/20/94/90/550209490.db2.gz PLTNADBGYBKCQT-MRXNPFEDSA-N 1 2 359.382 2.207 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000269600709 550209492 /nfs/dbraw/zinc/20/94/92/550209492.db2.gz PLTNADBGYBKCQT-MRXNPFEDSA-N 1 2 359.382 2.207 20 5 FEBDLO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269654216 550214240 /nfs/dbraw/zinc/21/42/40/550214240.db2.gz NXPHXXUTVLKMHG-ROUUACIJSA-N 1 2 356.378 2.401 20 5 FEBDLO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269654216 550214242 /nfs/dbraw/zinc/21/42/42/550214242.db2.gz NXPHXXUTVLKMHG-ROUUACIJSA-N 1 2 356.378 2.401 20 5 FEBDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000493562832 561456895 /nfs/dbraw/zinc/45/68/95/561456895.db2.gz JHVVMHNIQOWPAE-VIFPVBQESA-N 1 2 365.187 2.368 20 5 FEBDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000493562832 561456896 /nfs/dbraw/zinc/45/68/96/561456896.db2.gz JHVVMHNIQOWPAE-VIFPVBQESA-N 1 2 365.187 2.368 20 5 FEBDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000270078107 550247687 /nfs/dbraw/zinc/24/76/87/550247687.db2.gz JBUTXDXVNYBCQF-CQSZACIVSA-N 1 2 368.397 2.141 20 5 FEBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272159047 550426237 /nfs/dbraw/zinc/42/62/37/550426237.db2.gz NLEGCDZACZZWEB-CYBMUJFWSA-N 1 2 362.336 2.477 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000272415593 550445609 /nfs/dbraw/zinc/44/56/09/550445609.db2.gz CYYYGYONUHAAHE-SNVBAGLBSA-N 1 2 358.807 2.120 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000278119059 550751346 /nfs/dbraw/zinc/75/13/46/550751346.db2.gz LPEZMOHFPINWCG-UHFFFAOYSA-N 1 2 355.822 2.397 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000278119059 550751347 /nfs/dbraw/zinc/75/13/47/550751347.db2.gz LPEZMOHFPINWCG-UHFFFAOYSA-N 1 2 355.822 2.397 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000279698120 550918250 /nfs/dbraw/zinc/91/82/50/550918250.db2.gz GSWFFTJXSWJQHJ-ZUMXRPEOSA-N 1 2 363.414 2.190 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000279698120 550918251 /nfs/dbraw/zinc/91/82/51/550918251.db2.gz GSWFFTJXSWJQHJ-ZUMXRPEOSA-N 1 2 363.414 2.190 20 5 FEBDLO CCc1cc(N)nc(SC[C@@H](O)COc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000280345917 550983155 /nfs/dbraw/zinc/98/31/55/550983155.db2.gz AQPDFOODDBNTBA-LBPRGKRZSA-N 1 2 350.400 2.061 20 5 FEBDLO Cc1cc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000281744021 551138110 /nfs/dbraw/zinc/13/81/10/551138110.db2.gz FGWLGMSIVHYCNF-HIFRSBDPSA-N 1 2 369.381 2.295 20 5 FEBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[NH+](Cc2ccco2)CC1 ZINC000497520576 561503003 /nfs/dbraw/zinc/50/30/03/561503003.db2.gz OKEZYSUVKMYJAL-UHFFFAOYSA-N 1 2 368.393 2.487 20 5 FEBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000282460096 551232155 /nfs/dbraw/zinc/23/21/55/551232155.db2.gz MSGOHWNUXOVJSM-UHFFFAOYSA-N 1 2 368.393 2.054 20 5 FEBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000282460096 551232156 /nfs/dbraw/zinc/23/21/56/551232156.db2.gz MSGOHWNUXOVJSM-UHFFFAOYSA-N 1 2 368.393 2.054 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000283073730 551307782 /nfs/dbraw/zinc/30/77/82/551307782.db2.gz KPQRDEGAFKWEMA-UHFFFAOYSA-N 1 2 371.397 2.054 20 5 FEBDLO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000283639923 551401508 /nfs/dbraw/zinc/40/15/08/551401508.db2.gz XKMBWNKCBKAZFN-UHFFFAOYSA-N 1 2 365.397 2.112 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000497949762 561512153 /nfs/dbraw/zinc/51/21/53/561512153.db2.gz KYLXNPWDGAIILA-STQMWFEESA-N 1 2 355.460 2.260 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000497949762 561512154 /nfs/dbraw/zinc/51/21/54/561512154.db2.gz KYLXNPWDGAIILA-STQMWFEESA-N 1 2 355.460 2.260 20 5 FEBDLO COc1ccc(C[NH2+]Cc2ncc(C3OCCO3)s2)cc1[N+](=O)[O-] ZINC000289282943 552294911 /nfs/dbraw/zinc/29/49/11/552294911.db2.gz OUBSZYWSXYPFGJ-UHFFFAOYSA-N 1 2 351.384 2.395 20 5 FEBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cn(Cc2cccnc2)nn1 ZINC000289388125 552312966 /nfs/dbraw/zinc/31/29/66/552312966.db2.gz NGMQLTYXJCEDQZ-UHFFFAOYSA-N 1 2 352.398 2.304 20 5 FEBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cn(Cc2cccnc2)nn1 ZINC000289388125 552312968 /nfs/dbraw/zinc/31/29/68/552312968.db2.gz NGMQLTYXJCEDQZ-UHFFFAOYSA-N 1 2 352.398 2.304 20 5 FEBDLO C[C@@]1(O)CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289748547 552371779 /nfs/dbraw/zinc/37/17/79/552371779.db2.gz IQVLLAZFGFVEQP-GFCCVEGCSA-N 1 2 362.167 2.156 20 5 FEBDLO C[C@@]1(O)CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289748547 552371780 /nfs/dbraw/zinc/37/17/80/552371780.db2.gz IQVLLAZFGFVEQP-GFCCVEGCSA-N 1 2 362.167 2.156 20 5 FEBDLO COc1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c(OC)n1 ZINC000289806704 552381665 /nfs/dbraw/zinc/38/16/65/552381665.db2.gz ZNBNIVDYHISVTE-UHFFFAOYSA-N 1 2 363.370 2.314 20 5 FEBDLO O=C(NCCn1cc[nH+]c1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501113225 561590433 /nfs/dbraw/zinc/59/04/33/561590433.db2.gz SSXTWBTZQORPAD-UHFFFAOYSA-N 1 2 354.164 2.376 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291372670 552619711 /nfs/dbraw/zinc/61/97/11/552619711.db2.gz ANRNKVZJIIYGGD-VIFPVBQESA-N 1 2 362.213 2.352 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294397518 552902902 /nfs/dbraw/zinc/90/29/02/552902902.db2.gz IFOZOJHDCPFUPX-JTQLQIEISA-N 1 2 361.320 2.064 20 5 FEBDLO COC(=O)c1cc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc([N+](=O)[O-])c1 ZINC000295917586 553075737 /nfs/dbraw/zinc/07/57/37/553075737.db2.gz OMVXUKZYEFHXQG-AWEZNQCLSA-N 1 2 372.381 2.338 20 5 FEBDLO COC(=O)Cc1ccc(N2CC[NH+](Cc3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000296582895 553182974 /nfs/dbraw/zinc/18/29/74/553182974.db2.gz RIQAHDBYNXRHAD-UHFFFAOYSA-N 1 2 370.409 2.028 20 5 FEBDLO Nc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000298775117 553471214 /nfs/dbraw/zinc/47/12/14/553471214.db2.gz UXILSWVWRZDHHQ-UHFFFAOYSA-N 1 2 355.398 2.492 20 5 FEBDLO Cc1noc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000298787694 553473025 /nfs/dbraw/zinc/47/30/25/553473025.db2.gz PUNQKKVAPPQOKT-YPMHNXCESA-N 1 2 359.386 2.493 20 5 FEBDLO Cc1noc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000298787694 553473028 /nfs/dbraw/zinc/47/30/28/553473028.db2.gz PUNQKKVAPPQOKT-YPMHNXCESA-N 1 2 359.386 2.493 20 5 FEBDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)cc1 ZINC000503698162 561647040 /nfs/dbraw/zinc/64/70/40/561647040.db2.gz OFSXUAHWBMYEAL-UHFFFAOYSA-N 1 2 357.414 2.399 20 5 FEBDLO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000299607588 553587952 /nfs/dbraw/zinc/58/79/52/553587952.db2.gz YOIXACMBZPHNRG-AWEZNQCLSA-N 1 2 367.369 2.266 20 5 FEBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000301109368 553622825 /nfs/dbraw/zinc/62/28/25/553622825.db2.gz NLRWFRIUCVPOLH-UHFFFAOYSA-N 1 2 355.398 2.430 20 5 FEBDLO O=[N+]([O-])c1cnc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c(Cl)c1 ZINC000301280326 553638512 /nfs/dbraw/zinc/63/85/12/553638512.db2.gz NZPDMHBEPYCZPB-AWEZNQCLSA-N 1 2 358.851 2.263 20 5 FEBDLO O=[N+]([O-])c1ccc(NCCNc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000302782242 553732683 /nfs/dbraw/zinc/73/26/83/553732683.db2.gz KEHKBUIFZIMBKJ-UHFFFAOYSA-N 1 2 360.443 2.462 20 5 FEBDLO O=[N+]([O-])c1ccc(NCCNc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000302782242 553732685 /nfs/dbraw/zinc/73/26/85/553732685.db2.gz KEHKBUIFZIMBKJ-UHFFFAOYSA-N 1 2 360.443 2.462 20 5 FEBDLO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000505565396 561674123 /nfs/dbraw/zinc/67/41/23/561674123.db2.gz JHFFTRKQHVEGTJ-QGZVFWFLSA-N 1 2 351.366 2.258 20 5 FEBDLO CN(C)C(=O)N1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000330714262 554162112 /nfs/dbraw/zinc/16/21/12/554162112.db2.gz ZUORJRBLOYZJMT-UHFFFAOYSA-N 1 2 350.419 2.051 20 5 FEBDLO CN(C)C(=O)N1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000330714262 554162115 /nfs/dbraw/zinc/16/21/15/554162115.db2.gz ZUORJRBLOYZJMT-UHFFFAOYSA-N 1 2 350.419 2.051 20 5 FEBDLO Cc1ncsc1CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000509310172 561794681 /nfs/dbraw/zinc/79/46/81/561794681.db2.gz LTFXQGQXOHRCHA-UHFFFAOYSA-N 1 2 366.468 2.422 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000332372673 554434275 /nfs/dbraw/zinc/43/42/75/554434275.db2.gz XFNLXVDRJFRPDJ-HIFRSBDPSA-N 1 2 364.427 2.372 20 5 FEBDLO C[N@@H+]1CCO[C@H]2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])C[C@H]21 ZINC000332542698 554468221 /nfs/dbraw/zinc/46/82/21/554468221.db2.gz YTSSOTMTVZWSIV-CABCVRRESA-N 1 2 370.247 2.262 20 5 FEBDLO C[N@H+]1CCO[C@H]2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])C[C@H]21 ZINC000332542698 554468222 /nfs/dbraw/zinc/46/82/22/554468222.db2.gz YTSSOTMTVZWSIV-CABCVRRESA-N 1 2 370.247 2.262 20 5 FEBDLO CCc1n[nH]c(C(=O)NCCNc2ccc3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000610340340 554494157 /nfs/dbraw/zinc/49/41/57/554494157.db2.gz YPWKJMMKDOQKCH-UHFFFAOYSA-N 1 2 354.370 2.270 20 5 FEBDLO C[NH+](C)CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)ccn1 ZINC000350652450 554804313 /nfs/dbraw/zinc/80/43/13/554804313.db2.gz XNZFMQBNTPBSBE-UHFFFAOYSA-N 1 2 371.353 2.353 20 5 FEBDLO CCCC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000363139072 555038456 /nfs/dbraw/zinc/03/84/56/555038456.db2.gz JVAWNGWEBDHAGF-AWEZNQCLSA-N 1 2 362.430 2.256 20 5 FEBDLO CCCC(=O)N1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000363139072 555038457 /nfs/dbraw/zinc/03/84/57/555038457.db2.gz JVAWNGWEBDHAGF-AWEZNQCLSA-N 1 2 362.430 2.256 20 5 FEBDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)CC2 ZINC000363694509 555165842 /nfs/dbraw/zinc/16/58/42/555165842.db2.gz AJSMGDHUXCIBLZ-UHFFFAOYSA-N 1 2 370.818 2.266 20 5 FEBDLO O=C([C@@H]1CCCO1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000363714614 555170228 /nfs/dbraw/zinc/17/02/28/555170228.db2.gz QVGZMJJROJTIDQ-INIZCTEOSA-N 1 2 367.833 2.462 20 5 FEBDLO O=C([C@@H]1CCCO1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000363714614 555170229 /nfs/dbraw/zinc/17/02/29/555170229.db2.gz QVGZMJJROJTIDQ-INIZCTEOSA-N 1 2 367.833 2.462 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCOC4(CCOCC4)CC3)n2)c1 ZINC000364241455 555276796 /nfs/dbraw/zinc/27/67/96/555276796.db2.gz NHSHJNGFMDRQSZ-UHFFFAOYSA-N 1 2 374.397 2.416 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCOC4(CCOCC4)CC3)n2)c1 ZINC000364241455 555276799 /nfs/dbraw/zinc/27/67/99/555276799.db2.gz NHSHJNGFMDRQSZ-UHFFFAOYSA-N 1 2 374.397 2.416 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000364244241 555277181 /nfs/dbraw/zinc/27/71/81/555277181.db2.gz UCZCASUJTQISBL-CQSZACIVSA-N 1 2 363.414 2.193 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCOC2(CCOCC2)CC1 ZINC000364244241 555277182 /nfs/dbraw/zinc/27/71/82/555277182.db2.gz UCZCASUJTQISBL-CQSZACIVSA-N 1 2 363.414 2.193 20 5 FEBDLO COc1cc(CNc2ccc(-n3cncn3)c[nH+]2)c([N+](=O)[O-])cc1OC ZINC000616487203 555311271 /nfs/dbraw/zinc/31/12/71/555311271.db2.gz CWGGOJZMPZVGCG-UHFFFAOYSA-N 1 2 356.342 2.200 20 5 FEBDLO O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000364689532 555375660 /nfs/dbraw/zinc/37/56/60/555375660.db2.gz XYVBOMRFLHWXNX-HUUCEWRRSA-N 1 2 355.354 2.175 20 5 FEBDLO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000364873234 555421868 /nfs/dbraw/zinc/42/18/68/555421868.db2.gz PIAVQODMIOIXEU-LLVKDONJSA-N 1 2 358.383 2.101 20 5 FEBDLO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1c(F)cncc1F ZINC000513266405 561931632 /nfs/dbraw/zinc/93/16/32/561931632.db2.gz JRRVEDGLDPSOGJ-SNVBAGLBSA-N 1 2 371.365 2.393 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000366628191 555894819 /nfs/dbraw/zinc/89/48/19/555894819.db2.gz FTEGBPSJPCAGAR-OAHLLOKOSA-N 1 2 365.455 2.143 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000366628191 555894822 /nfs/dbraw/zinc/89/48/22/555894822.db2.gz FTEGBPSJPCAGAR-OAHLLOKOSA-N 1 2 365.455 2.143 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+]CCC(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000514105082 561960506 /nfs/dbraw/zinc/96/05/06/561960506.db2.gz OPHPYHGFUHNGQZ-GOSISDBHSA-N 1 2 371.441 2.410 20 5 FEBDLO Nc1c(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc(F)cc1[N+](=O)[O-] ZINC000514622266 561970359 /nfs/dbraw/zinc/97/03/59/561970359.db2.gz OPDDYDGYJGSQAO-UHFFFAOYSA-N 1 2 356.317 2.208 20 5 FEBDLO O=[N+]([O-])c1cc2c(ncnc2N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)s1 ZINC000367442129 556050099 /nfs/dbraw/zinc/05/00/99/556050099.db2.gz DQNUBEXXPMAVKR-GFCCVEGCSA-N 1 2 360.399 2.273 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c(Cl)c1 ZINC000368293404 556270371 /nfs/dbraw/zinc/27/03/71/556270371.db2.gz IRJJDOYMRRAWOE-LLVKDONJSA-N 1 2 356.791 2.497 20 5 FEBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3cnc(C4OCCO4)s3)C2)c1 ZINC000368578308 556351261 /nfs/dbraw/zinc/35/12/61/556351261.db2.gz LXFQOJIPBSOXEQ-LLVKDONJSA-N 1 2 365.415 2.130 20 5 FEBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3cnc(C4OCCO4)s3)C2)c1 ZINC000368578308 556351262 /nfs/dbraw/zinc/35/12/62/556351262.db2.gz LXFQOJIPBSOXEQ-LLVKDONJSA-N 1 2 365.415 2.130 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)Nc1ccc(F)cc1F ZINC000369002466 556473610 /nfs/dbraw/zinc/47/36/10/556473610.db2.gz QBKCAIPAHVWUIJ-LBPRGKRZSA-N 1 2 365.340 2.345 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)Nc1ccc(F)cc1F ZINC000369002466 556473614 /nfs/dbraw/zinc/47/36/14/556473614.db2.gz QBKCAIPAHVWUIJ-LBPRGKRZSA-N 1 2 365.340 2.345 20 5 FEBDLO COc1ccc(NC(=O)C[NH+]2CCC(n3cc(C)cn3)CC2)c([N+](=O)[O-])c1 ZINC000369278085 556561773 /nfs/dbraw/zinc/56/17/73/556561773.db2.gz OVJYRCPXRVAIRR-UHFFFAOYSA-N 1 2 373.413 2.384 20 5 FEBDLO COc1ncccc1CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000516900135 562063446 /nfs/dbraw/zinc/06/34/46/562063446.db2.gz ZGBFECDEJVEIAR-UHFFFAOYSA-N 1 2 372.425 2.485 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000371435438 557186679 /nfs/dbraw/zinc/18/66/79/557186679.db2.gz DVYWHANYQOIHCM-UHFFFAOYSA-N 1 2 373.413 2.188 20 5 FEBDLO Cc1cn2c([nH+]1)CN(C(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)CC2 ZINC000371734442 557278327 /nfs/dbraw/zinc/27/83/27/557278327.db2.gz FUBBPKZJBKXUMQ-UHFFFAOYSA-N 1 2 355.398 2.356 20 5 FEBDLO COc1cc(C(=O)NCc2cn3cccc(C)c3[nH+]2)c([N+](=O)[O-])cc1OC ZINC000518346302 562109170 /nfs/dbraw/zinc/10/91/70/562109170.db2.gz BHRQJMXBEQVYQI-UHFFFAOYSA-N 1 2 370.365 2.498 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000371907976 557326378 /nfs/dbraw/zinc/32/63/78/557326378.db2.gz XEDIUZVEJDERGZ-UHFFFAOYSA-N 1 2 359.386 2.416 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000371907976 557326382 /nfs/dbraw/zinc/32/63/82/557326382.db2.gz XEDIUZVEJDERGZ-UHFFFAOYSA-N 1 2 359.386 2.416 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000372223335 557413791 /nfs/dbraw/zinc/41/37/91/557413791.db2.gz GZMSCGMGFYOILC-CYBMUJFWSA-N 1 2 371.397 2.040 20 5 FEBDLO Cc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372288056 557430886 /nfs/dbraw/zinc/43/08/86/557430886.db2.gz JCJVZPHLENCCJQ-KRWDZBQOSA-N 1 2 371.441 2.096 20 5 FEBDLO Cc1ccccc1CCNC(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372288056 557430889 /nfs/dbraw/zinc/43/08/89/557430889.db2.gz JCJVZPHLENCCJQ-KRWDZBQOSA-N 1 2 371.441 2.096 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372386489 557456875 /nfs/dbraw/zinc/45/68/75/557456875.db2.gz LJBYZFPQFRNBLS-UHFFFAOYSA-N 1 2 364.427 2.257 20 5 FEBDLO CCOC(=O)c1cc(C(=O)N[C@H]2CCc3[nH+]c(C)cn3C2)cc([N+](=O)[O-])c1 ZINC000372549533 557500582 /nfs/dbraw/zinc/50/05/82/557500582.db2.gz AXYDSTJTYWSJGX-AWEZNQCLSA-N 1 2 372.381 2.021 20 5 FEBDLO O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1[nH]ncc1[N+](=O)[O-] ZINC000519773002 562143486 /nfs/dbraw/zinc/14/34/86/562143486.db2.gz HTNYVMOTFPEYGX-ZDUSSCGKSA-N 1 2 355.354 2.172 20 5 FEBDLO O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1n[nH]cc1[N+](=O)[O-] ZINC000519773002 562143487 /nfs/dbraw/zinc/14/34/87/562143487.db2.gz HTNYVMOTFPEYGX-ZDUSSCGKSA-N 1 2 355.354 2.172 20 5 FEBDLO Cc1c(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000374333509 557867504 /nfs/dbraw/zinc/86/75/04/557867504.db2.gz RGXIPNVMDKODKG-GFCCVEGCSA-N 1 2 373.369 2.483 20 5 FEBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374364472 557872419 /nfs/dbraw/zinc/87/24/19/557872419.db2.gz LVZZVVMQJHUORO-SFHVURJKSA-N 1 2 365.393 2.187 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)c1 ZINC000375284360 558004288 /nfs/dbraw/zinc/00/42/88/558004288.db2.gz NYTASQWMVIHXAU-CVEARBPZSA-N 1 2 370.331 2.001 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)c1 ZINC000375284360 558004289 /nfs/dbraw/zinc/00/42/89/558004289.db2.gz NYTASQWMVIHXAU-CVEARBPZSA-N 1 2 370.331 2.001 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375348667 558013248 /nfs/dbraw/zinc/01/32/48/558013248.db2.gz JXGOGRVQNJUPSQ-UHFFFAOYSA-N 1 2 351.357 2.319 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375348667 558013250 /nfs/dbraw/zinc/01/32/50/558013250.db2.gz JXGOGRVQNJUPSQ-UHFFFAOYSA-N 1 2 351.357 2.319 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000375898733 558096072 /nfs/dbraw/zinc/09/60/72/558096072.db2.gz WRACYEZSZATBIF-NHYWBVRUSA-N 1 2 353.806 2.183 20 5 FEBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000376029725 558116175 /nfs/dbraw/zinc/11/61/75/558116175.db2.gz PKBZORCGVWTIPJ-UHFFFAOYSA-N 1 2 361.442 2.241 20 5 FEBDLO O=C(CC[NH+]1CC(O)(c2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000376939659 558241895 /nfs/dbraw/zinc/24/18/95/558241895.db2.gz OKRVILUIGUVJKQ-UHFFFAOYSA-N 1 2 359.357 2.266 20 5 FEBDLO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC(n2cc[nH+]c2)C1 ZINC000522257969 562195233 /nfs/dbraw/zinc/19/52/33/562195233.db2.gz IUTZUAGAQLHPJQ-UHFFFAOYSA-N 1 2 370.287 2.430 20 5 FEBDLO Cc1nn(C)c(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)c1[N+](=O)[O-] ZINC000377446559 558342586 /nfs/dbraw/zinc/34/25/86/558342586.db2.gz YFCJEJQPFOYHMT-CYBMUJFWSA-N 1 2 372.360 2.029 20 5 FEBDLO Cn1c[nH+]cc1CNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 ZINC000377965263 558453652 /nfs/dbraw/zinc/45/36/52/558453652.db2.gz JYQVELCPBASKLT-WMZOPIPTSA-N 1 2 369.425 2.176 20 5 FEBDLO Cc1cc(N2CCC(NC(=O)Cc3cccc([N+](=O)[O-])c3)CC2)nc[nH+]1 ZINC000378030086 558466575 /nfs/dbraw/zinc/46/65/75/558466575.db2.gz GUNXQNRZBSGTGY-UHFFFAOYSA-N 1 2 355.398 2.021 20 5 FEBDLO NS(=O)(=O)c1ccc(NCc2cccc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000523752034 562219047 /nfs/dbraw/zinc/21/90/47/562219047.db2.gz BXHYKTONGJIBEZ-UHFFFAOYSA-N 1 2 373.394 2.040 20 5 FEBDLO CCOC(=O)CCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000524811320 562235386 /nfs/dbraw/zinc/23/53/86/562235386.db2.gz HCSLBUAGGAGBDE-UHFFFAOYSA-N 1 2 369.443 2.148 20 5 FEBDLO Cn1cccc1[C@H]1COCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411556127 558916627 /nfs/dbraw/zinc/91/66/27/558916627.db2.gz TUDRZRWNKBOCPQ-QGZVFWFLSA-N 1 2 358.398 2.335 20 5 FEBDLO Cn1cccc1[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411556127 558916624 /nfs/dbraw/zinc/91/66/24/558916624.db2.gz TUDRZRWNKBOCPQ-QGZVFWFLSA-N 1 2 358.398 2.335 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1F ZINC000411767145 558959045 /nfs/dbraw/zinc/95/90/45/558959045.db2.gz MPRGOFQUJOAUDJ-UHFFFAOYSA-N 1 2 362.361 2.414 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000411937291 558991666 /nfs/dbraw/zinc/99/16/66/558991666.db2.gz JBFAVEFJPJKXMH-WMLDXEAASA-N 1 2 371.393 2.350 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000411937291 558991667 /nfs/dbraw/zinc/99/16/67/558991667.db2.gz JBFAVEFJPJKXMH-WMLDXEAASA-N 1 2 371.393 2.350 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2csnn2)c([N+](=O)[O-])c1 ZINC000412039019 559005529 /nfs/dbraw/zinc/00/55/29/559005529.db2.gz KWGUAIPZHWPFMU-IUCAKERBSA-N 1 2 351.388 2.133 20 5 FEBDLO COC(=O)[C@@]1(C)CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000412899378 559062860 /nfs/dbraw/zinc/06/28/60/559062860.db2.gz NIBNXWNEJRFNGL-SFHVURJKSA-N 1 2 372.381 2.196 20 5 FEBDLO COC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000412912621 559063860 /nfs/dbraw/zinc/06/38/60/559063860.db2.gz QHOUHVYZBKGSHQ-SFHVURJKSA-N 1 2 372.381 2.196 20 5 FEBDLO C[C@H](O)[C@H]1CCN(c2cc(NCCNc3ccccc3[N+](=O)[O-])[nH+]cn2)C1 ZINC000413044047 559072050 /nfs/dbraw/zinc/07/20/50/559072050.db2.gz WXCDSJCCMQDAKO-KBPBESRZSA-N 1 2 372.429 2.116 20 5 FEBDLO C[C@H](O)[C@H]1CCN(c2cc(NCCNc3ccccc3[N+](=O)[O-])nc[nH+]2)C1 ZINC000413044047 559072051 /nfs/dbraw/zinc/07/20/51/559072051.db2.gz WXCDSJCCMQDAKO-KBPBESRZSA-N 1 2 372.429 2.116 20 5 FEBDLO CCN(CC)S(=O)(=O)CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413138402 559081916 /nfs/dbraw/zinc/08/19/16/559081916.db2.gz PGXRNHBCZZYZHG-UHFFFAOYSA-N 1 2 352.416 2.227 20 5 FEBDLO CS(=O)(=O)N1CCCC[C@@H]1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413293514 559096354 /nfs/dbraw/zinc/09/63/54/559096354.db2.gz NIMRXICHCHMBMW-CQSZACIVSA-N 1 2 364.427 2.369 20 5 FEBDLO C[C@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000413429096 559107236 /nfs/dbraw/zinc/10/72/36/559107236.db2.gz CSWPWLJTVNRPLG-ZDUSSCGKSA-N 1 2 350.419 2.066 20 5 FEBDLO NC(=O)[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000420982175 559516915 /nfs/dbraw/zinc/51/69/15/559516915.db2.gz GYGZVMGGFVSIRV-VXNVDRBHSA-N 1 2 351.712 2.344 20 5 FEBDLO NC(=O)[C@@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000420982175 559516916 /nfs/dbraw/zinc/51/69/16/559516916.db2.gz GYGZVMGGFVSIRV-VXNVDRBHSA-N 1 2 351.712 2.344 20 5 FEBDLO Cc1cc(CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC000421564399 559545325 /nfs/dbraw/zinc/54/53/25/559545325.db2.gz YZJILHKYTKZORE-UHFFFAOYSA-N 1 2 356.382 2.043 20 5 FEBDLO CC(C)n1c[nH+]cc1CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000425331113 559697310 /nfs/dbraw/zinc/69/73/10/559697310.db2.gz WWEAKQYMIGTZLN-UHFFFAOYSA-N 1 2 363.443 2.392 20 5 FEBDLO CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000426189273 559731403 /nfs/dbraw/zinc/73/14/03/559731403.db2.gz YTRBSYTVGIMVST-UONOGXRCSA-N 1 2 350.419 2.066 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000426189273 559731404 /nfs/dbraw/zinc/73/14/04/559731404.db2.gz YTRBSYTVGIMVST-UONOGXRCSA-N 1 2 350.419 2.066 20 5 FEBDLO COc1cc[nH+]cc1CNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000431576584 559841700 /nfs/dbraw/zinc/84/17/00/559841700.db2.gz USIDWMKZAIPADI-UHFFFAOYSA-N 1 2 374.378 2.025 20 5 FEBDLO O=C(NCC1([NH+]2CCOCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000434229466 559895994 /nfs/dbraw/zinc/89/59/94/559895994.db2.gz BMQNFEJNSYQJOD-UHFFFAOYSA-N 1 2 354.794 2.235 20 5 FEBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H]1Cc1ccccc1 ZINC000436733780 559950398 /nfs/dbraw/zinc/95/03/98/559950398.db2.gz ZAIQSEWEHKNZMC-MRXNPFEDSA-N 1 2 355.394 2.299 20 5 FEBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H]1Cc1ccccc1 ZINC000436733780 559950399 /nfs/dbraw/zinc/95/03/99/559950399.db2.gz ZAIQSEWEHKNZMC-MRXNPFEDSA-N 1 2 355.394 2.299 20 5 FEBDLO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436829951 559953416 /nfs/dbraw/zinc/95/34/16/559953416.db2.gz BZNQFRNWUUFYQB-OAHLLOKOSA-N 1 2 357.366 2.119 20 5 FEBDLO O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436829951 559953417 /nfs/dbraw/zinc/95/34/17/559953417.db2.gz BZNQFRNWUUFYQB-OAHLLOKOSA-N 1 2 357.366 2.119 20 5 FEBDLO CC[C@@H](NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C)c1[nH]cc[nH+]1 ZINC000443124830 560071667 /nfs/dbraw/zinc/07/16/67/560071667.db2.gz CLSNUPWBMUUQDI-CYBMUJFWSA-N 1 2 355.358 2.088 20 5 FEBDLO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NCc1ccn2cc[nH+]c2c1 ZINC000445213427 560130857 /nfs/dbraw/zinc/13/08/57/560130857.db2.gz OFOARCSEWKDDLV-UHFFFAOYSA-N 1 2 365.353 2.118 20 5 FEBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000447669948 560166319 /nfs/dbraw/zinc/16/63/19/560166319.db2.gz KZDONEBIMNXGDN-UHFFFAOYSA-N 1 2 370.413 2.125 20 5 FEBDLO CCOC(=O)[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448830002 560201364 /nfs/dbraw/zinc/20/13/64/560201364.db2.gz DQIBBUBJXCFAMS-OAHLLOKOSA-N 1 2 372.381 2.338 20 5 FEBDLO COC(=O)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)CC(C)C ZINC000449939588 560245909 /nfs/dbraw/zinc/24/59/09/560245909.db2.gz JOBDDWMOOPXQDC-AWEZNQCLSA-N 1 2 374.397 2.346 20 5 FEBDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000450284034 560256986 /nfs/dbraw/zinc/25/69/86/560256986.db2.gz JYCCMRFQGUEFQW-ZDUSSCGKSA-N 1 2 366.381 2.489 20 5 FEBDLO CC[C@H](C(=O)OC)[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450532454 560265336 /nfs/dbraw/zinc/26/53/36/560265336.db2.gz XDFXHUQXZYEMNJ-OAHLLOKOSA-N 1 2 358.398 2.217 20 5 FEBDLO NC(=O)c1ccnc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000450536148 560265395 /nfs/dbraw/zinc/26/53/95/560265395.db2.gz SGPCSCFFFTXYDI-HAQNSBGRSA-N 1 2 356.386 2.319 20 5 FEBDLO CCn1ccnc1CNc1nc(NCc2[nH+]ccn2CC)ccc1[N+](=O)[O-] ZINC000450688756 560270155 /nfs/dbraw/zinc/27/01/55/560270155.db2.gz WUJNYMDKWDFFDH-UHFFFAOYSA-N 1 2 370.417 2.647 20 5 FEBDLO CCn1ccnc1CNc1ccc([N+](=O)[O-])c(NCc2[nH+]ccn2CC)n1 ZINC000450688756 560270156 /nfs/dbraw/zinc/27/01/56/560270156.db2.gz WUJNYMDKWDFFDH-UHFFFAOYSA-N 1 2 370.417 2.647 20 5 FEBDLO Cn1ncc2c1nc(N1CCC[C@H](c3ccc([N+](=O)[O-])cc3)C1)[nH+]c2N ZINC000450769595 560272717 /nfs/dbraw/zinc/27/27/17/560272717.db2.gz WNJNPXHXWUQBJF-LBPRGKRZSA-N 1 2 353.386 2.238 20 5 FEBDLO CCN(C[C@H](O)C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450797396 560273731 /nfs/dbraw/zinc/27/37/31/560273731.db2.gz NDSSCLJMEZQASB-ZDUSSCGKSA-N 1 2 372.303 2.166 20 5 FEBDLO Cc1cc(N2CC[N@@H+](CCO)C[C@@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000450953825 560279718 /nfs/dbraw/zinc/27/97/18/560279718.db2.gz LYZRDSPBXKCNPX-NSHDSACASA-N 1 2 358.236 2.169 20 5 FEBDLO Cc1cc(N2CC[N@H+](CCO)C[C@@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000450953825 560279719 /nfs/dbraw/zinc/27/97/19/560279719.db2.gz LYZRDSPBXKCNPX-NSHDSACASA-N 1 2 358.236 2.169 20 5 FEBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCOC[C@@H](O)C2)cc1OC ZINC000451231436 560294620 /nfs/dbraw/zinc/29/46/20/560294620.db2.gz CRBIKPSTORNSAU-ZFWWWQNUSA-N 1 2 368.430 2.221 20 5 FEBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCOC[C@@H](O)C2)cc1OC ZINC000451231436 560294621 /nfs/dbraw/zinc/29/46/21/560294621.db2.gz CRBIKPSTORNSAU-ZFWWWQNUSA-N 1 2 368.430 2.221 20 5 FEBDLO O=C(NCC1(CO)CC2(CCC2)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451275554 560297604 /nfs/dbraw/zinc/29/76/04/560297604.db2.gz ILCWWXJTBPJQAR-UHFFFAOYSA-N 1 2 370.409 2.453 20 5 FEBDLO CCO[C@@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1C ZINC000451535624 560312814 /nfs/dbraw/zinc/31/28/14/560312814.db2.gz YTVNIIHEZGMWMH-BXUZGUMPSA-N 1 2 365.386 2.009 20 5 FEBDLO CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1C ZINC000451535624 560312815 /nfs/dbraw/zinc/31/28/15/560312815.db2.gz YTVNIIHEZGMWMH-BXUZGUMPSA-N 1 2 365.386 2.009 20 5 FEBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3nnnn3C3CCOCC3)C2)cc1 ZINC000451551239 560314066 /nfs/dbraw/zinc/31/40/66/560314066.db2.gz UAGKIIYSDKMIOW-OAHLLOKOSA-N 1 2 372.429 2.312 20 5 FEBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3nnnn3C3CCOCC3)C2)cc1 ZINC000451551239 560314067 /nfs/dbraw/zinc/31/40/67/560314067.db2.gz UAGKIIYSDKMIOW-OAHLLOKOSA-N 1 2 372.429 2.312 20 5 FEBDLO COC(=O)C(C)(C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451667889 560320862 /nfs/dbraw/zinc/32/08/62/560320862.db2.gz ZIYNSBGPOUVTBO-UHFFFAOYSA-N 1 2 360.370 2.100 20 5 FEBDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000451927221 560338141 /nfs/dbraw/zinc/33/81/41/560338141.db2.gz JMYGZEGRWRQSSN-GFCCVEGCSA-N 1 2 352.416 2.468 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000451944572 560339747 /nfs/dbraw/zinc/33/97/47/560339747.db2.gz GIBWDEKNCIEMCY-NWDGAFQWSA-N 1 2 350.400 2.392 20 5 FEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000453574987 560389332 /nfs/dbraw/zinc/38/93/32/560389332.db2.gz JUEQQJSDDXXFJU-UHFFFAOYSA-N 1 2 365.397 2.097 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000456364463 560517658 /nfs/dbraw/zinc/51/76/58/560517658.db2.gz CQGGLOIOHCOTRS-KBMXLJTQSA-N 1 2 370.409 2.404 20 5 FEBDLO CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000456436984 560520509 /nfs/dbraw/zinc/52/05/09/560520509.db2.gz HQKSBYFFHDPINZ-KGLIPLIRSA-N 1 2 372.381 2.242 20 5 FEBDLO Cc1cc(C)c(CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c[nH+]1 ZINC000456835218 560534161 /nfs/dbraw/zinc/53/41/61/560534161.db2.gz IMPFWPBQLULYON-UHFFFAOYSA-N 1 2 357.366 2.237 20 5 FEBDLO CCc1cc(NC[C@@]2(OC)CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000460954086 560756947 /nfs/dbraw/zinc/75/69/47/560756947.db2.gz BRQNFTYOBMERSQ-SFHVURJKSA-N 1 2 358.398 2.254 20 5 FEBDLO Cc1cccc(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000467911357 560919526 /nfs/dbraw/zinc/91/95/26/560919526.db2.gz QVGNXSJGNBHCPX-UHFFFAOYSA-N 1 2 351.366 2.456 20 5 FEBDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000469844331 560966312 /nfs/dbraw/zinc/96/63/12/560966312.db2.gz YPHFGUTYPDQWRX-KOLCDFICSA-N 1 2 355.778 2.070 20 5 FEBDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000469844331 560966313 /nfs/dbraw/zinc/96/63/13/560966313.db2.gz YPHFGUTYPDQWRX-KOLCDFICSA-N 1 2 355.778 2.070 20 5 FEBDLO CCN1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000470148358 560975412 /nfs/dbraw/zinc/97/54/12/560975412.db2.gz KGYYMZUDRWUICW-CQSZACIVSA-N 1 2 362.365 2.368 20 5 FEBDLO CCc1nc(C[NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)cs1 ZINC000474349329 561071839 /nfs/dbraw/zinc/07/18/39/561071839.db2.gz WNNXKGCQQIGKCN-UHFFFAOYSA-N 1 2 365.411 2.455 20 5 FEBDLO CC[C@@H]1C[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000475574363 561100122 /nfs/dbraw/zinc/10/01/22/561100122.db2.gz WOPGOVOBCZOLNT-TZMCWYRMSA-N 1 2 352.387 2.146 20 5 FEBDLO CC[C@@H]1C[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000475574363 561100123 /nfs/dbraw/zinc/10/01/23/561100123.db2.gz WOPGOVOBCZOLNT-TZMCWYRMSA-N 1 2 352.387 2.146 20 5 FEBDLO O=C(NCc1cccc([N+](=O)[O-])c1)c1ccccc1C[NH+]1CCOCC1 ZINC000530584870 562416849 /nfs/dbraw/zinc/41/68/49/562416849.db2.gz PVFKCPROBYJIRG-UHFFFAOYSA-N 1 2 355.394 2.357 20 5 FEBDLO C[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1n1cc[nH+]c1 ZINC000531581250 562450635 /nfs/dbraw/zinc/45/06/35/562450635.db2.gz CQEOUANSZFTCRJ-RISCZKNCSA-N 1 2 358.354 2.243 20 5 FEBDLO C[C@@H]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000531584686 562450779 /nfs/dbraw/zinc/45/07/79/562450779.db2.gz LBEQILBZBMDQGR-RHSMWYFYSA-N 1 2 373.413 2.463 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000533304765 562504402 /nfs/dbraw/zinc/50/44/02/562504402.db2.gz NNBOUQWQLSZKJX-XJKSGUPXSA-N 1 2 360.414 2.009 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000533304765 562504403 /nfs/dbraw/zinc/50/44/03/562504403.db2.gz NNBOUQWQLSZKJX-XJKSGUPXSA-N 1 2 360.414 2.009 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000535148524 562552077 /nfs/dbraw/zinc/55/20/77/562552077.db2.gz KWTLYOIUHMIPRD-LLVKDONJSA-N 1 2 367.365 2.212 20 5 FEBDLO COc1ccccc1[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000541051078 562601495 /nfs/dbraw/zinc/60/14/95/562601495.db2.gz IFBYMSAPDZOSDP-INIZCTEOSA-N 1 2 360.366 2.293 20 5 FEBDLO C[N@H+](CCc1ccccc1O)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570124136 568452923 /nfs/dbraw/zinc/45/29/23/568452923.db2.gz VAFLAZCVDFDFFU-UHFFFAOYSA-N 1 2 364.423 2.249 20 5 FEBDLO C[N@@H+](CCc1ccccc1O)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570124136 568452924 /nfs/dbraw/zinc/45/29/24/568452924.db2.gz VAFLAZCVDFDFFU-UHFFFAOYSA-N 1 2 364.423 2.249 20 5 FEBDLO O=[N+]([O-])c1ccc(NCCCCNc2cccc[nH+]2)cc1-c1nn[nH]n1 ZINC000826498974 607841439 /nfs/dbraw/zinc/84/14/39/607841439.db2.gz QPJUBUUAEFMMGI-UHFFFAOYSA-N 1 2 354.374 2.474 20 5 FEBDLO C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000560603721 674603105 /nfs/dbraw/zinc/60/31/05/674603105.db2.gz YHOZJRAYEBHKOX-SMDDNHRTSA-N 1 2 367.768 2.286 20 5 FEBDLO C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000560603721 674603108 /nfs/dbraw/zinc/60/31/08/674603108.db2.gz YHOZJRAYEBHKOX-SMDDNHRTSA-N 1 2 367.768 2.286 20 5 FEBDLO Cc1nnc(CC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)s1 ZINC000577360018 671590369 /nfs/dbraw/zinc/59/03/69/671590369.db2.gz GEXKMWYHLZRFQW-HNNXBMFYSA-N 1 2 358.427 2.410 20 5 FEBDLO O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)cs1 ZINC000119641824 671904694 /nfs/dbraw/zinc/90/46/94/671904694.db2.gz JXSFOUVWRVRTRM-UHFFFAOYSA-N 1 2 364.408 2.321 20 5 FEBDLO Cc1nn(C[N@@H+]2CCCN(CC(F)F)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000159617250 672283635 /nfs/dbraw/zinc/28/36/35/672283635.db2.gz CSDMTBPEFVUHJO-UHFFFAOYSA-N 1 2 353.373 2.483 20 5 FEBDLO Cc1nn(C[N@H+]2CCCN(CC(F)F)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000159617250 672283637 /nfs/dbraw/zinc/28/36/37/672283637.db2.gz CSDMTBPEFVUHJO-UHFFFAOYSA-N 1 2 353.373 2.483 20 5 FEBDLO COc1cccc(C(=O)NCC[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000195447635 672784559 /nfs/dbraw/zinc/78/45/59/672784559.db2.gz PUZMTEFMENKSIE-UHFFFAOYSA-N 1 2 361.423 2.453 20 5 FEBDLO COc1cccc(C(=O)NCC[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000195447635 672784561 /nfs/dbraw/zinc/78/45/61/672784561.db2.gz PUZMTEFMENKSIE-UHFFFAOYSA-N 1 2 361.423 2.453 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000593009706 672863386 /nfs/dbraw/zinc/86/33/86/672863386.db2.gz DHPFBTMDIRQFHS-CHWSQXEVSA-N 1 2 362.304 2.269 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000593009706 672863391 /nfs/dbraw/zinc/86/33/91/672863391.db2.gz DHPFBTMDIRQFHS-CHWSQXEVSA-N 1 2 362.304 2.269 20 5 FEBDLO C[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000612556047 676087522 /nfs/dbraw/zinc/08/75/22/676087522.db2.gz JACWECRWHUNDSF-SKDRFNHKSA-N 1 2 361.320 2.063 20 5 FEBDLO C[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000612556047 676087525 /nfs/dbraw/zinc/08/75/25/676087525.db2.gz JACWECRWHUNDSF-SKDRFNHKSA-N 1 2 361.320 2.063 20 5 FEBDLO CO[C@@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C1CCC1 ZINC000595294790 673218107 /nfs/dbraw/zinc/21/81/07/673218107.db2.gz FYXXDERXTLEURV-ZDUSSCGKSA-N 1 2 353.444 2.229 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@](O)(C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595749106 673288970 /nfs/dbraw/zinc/28/89/70/673288970.db2.gz DPGLDKJBQCOTKL-INIZCTEOSA-N 1 2 353.806 2.424 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@](O)(C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595749106 673288973 /nfs/dbraw/zinc/28/89/73/673288973.db2.gz DPGLDKJBQCOTKL-INIZCTEOSA-N 1 2 353.806 2.424 20 5 FEBDLO Cn1nc(C(F)(F)F)cc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000597116063 673449237 /nfs/dbraw/zinc/44/92/37/673449237.db2.gz CXZCXQIVLIQNEI-UHFFFAOYSA-N 1 2 358.324 2.381 20 5 FEBDLO COc1cc(C[NH2+]Cc2c(C(F)(F)F)cnn2C)c([N+](=O)[O-])cc1O ZINC000598989961 673626933 /nfs/dbraw/zinc/62/69/33/673626933.db2.gz XOHZYTFMIUWREI-UHFFFAOYSA-N 1 2 360.292 2.351 20 5 FEBDLO COCCC1CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000599507880 673686355 /nfs/dbraw/zinc/68/63/55/673686355.db2.gz VMRLWKLJRLOCHE-UHFFFAOYSA-N 1 2 356.444 2.117 20 5 FEBDLO O=C(C[N@@H+]1CCCC(F)(F)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000599551090 673690407 /nfs/dbraw/zinc/69/04/07/673690407.db2.gz HSGGMVGWQNGWGX-UHFFFAOYSA-N 1 2 357.313 2.383 20 5 FEBDLO O=C(C[N@H+]1CCCC(F)(F)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000599551090 673690408 /nfs/dbraw/zinc/69/04/08/673690408.db2.gz HSGGMVGWQNGWGX-UHFFFAOYSA-N 1 2 357.313 2.383 20 5 FEBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000601226972 673834201 /nfs/dbraw/zinc/83/42/01/673834201.db2.gz WNAQUAIWOIIWMA-CYBMUJFWSA-N 1 2 352.366 2.062 20 5 FEBDLO CN(C)C(=O)[C@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602689372 673909615 /nfs/dbraw/zinc/90/96/15/673909615.db2.gz GDZJDKRWOGPVPS-QMMMGPOBSA-N 1 2 362.249 2.329 20 5 FEBDLO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602689372 673909618 /nfs/dbraw/zinc/90/96/18/673909618.db2.gz GDZJDKRWOGPVPS-QMMMGPOBSA-N 1 2 362.249 2.329 20 5 FEBDLO Cn1cc(C[NH2+][C@](C)(CO)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])n1 ZINC000602779557 673910932 /nfs/dbraw/zinc/91/09/32/673910932.db2.gz ILJNSARPOFSCDG-CQSZACIVSA-N 1 2 358.320 2.344 20 5 FEBDLO COc1cc(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000602988492 673915225 /nfs/dbraw/zinc/91/52/25/673915225.db2.gz LQVKNTISLHKSLX-VHSXEESVSA-N 1 2 352.284 2.345 20 5 FEBDLO COc1cc(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000602988492 673915230 /nfs/dbraw/zinc/91/52/30/673915230.db2.gz LQVKNTISLHKSLX-VHSXEESVSA-N 1 2 352.284 2.345 20 5 FEBDLO CCc1ccc(S(=O)(=O)NCCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000566618131 675229489 /nfs/dbraw/zinc/22/94/89/675229489.db2.gz ZONHOWJTNHFWCK-UHFFFAOYSA-N 1 2 352.416 2.112 20 5 FEBDLO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000820827448 675391568 /nfs/dbraw/zinc/39/15/68/675391568.db2.gz LTBIQJPHBIINAS-GFCCVEGCSA-N 1 2 354.794 2.187 20 5 FEBDLO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000823252776 675539400 /nfs/dbraw/zinc/53/94/00/675539400.db2.gz GOXDSSZFFSRAKI-NSHDSACASA-N 1 2 354.794 2.187 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000617233675 676276058 /nfs/dbraw/zinc/27/60/58/676276058.db2.gz SVNFVFVJXFRNMH-UHFFFAOYSA-N 1 2 353.444 2.070 20 5 FEBDLO O=[N+]([O-])c1nn(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1Br ZINC000840118889 680800104 /nfs/dbraw/zinc/80/01/04/680800104.db2.gz FMOBOFLMOOKHMA-MVWJERBFSA-N 1 2 359.224 2.137 20 5 FEBDLO O=[N+]([O-])c1nn(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1Br ZINC000840118889 680800106 /nfs/dbraw/zinc/80/01/06/680800106.db2.gz FMOBOFLMOOKHMA-MVWJERBFSA-N 1 2 359.224 2.137 20 5 FEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000765737813 680853291 /nfs/dbraw/zinc/85/32/91/680853291.db2.gz HBJNAMMWRDLYLZ-WDEREUQCSA-N 1 2 361.851 2.351 20 5 FEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000765737813 680853292 /nfs/dbraw/zinc/85/32/92/680853292.db2.gz HBJNAMMWRDLYLZ-WDEREUQCSA-N 1 2 361.851 2.351 20 5 FEBDLO CCc1nc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001029964404 680394180 /nfs/dbraw/zinc/39/41/80/680394180.db2.gz GIPKVGMENWWFPF-HUUCEWRRSA-N 1 2 366.487 2.041 20 5 FEBDLO CCc1nc(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001029964404 680394184 /nfs/dbraw/zinc/39/41/84/680394184.db2.gz GIPKVGMENWWFPF-HUUCEWRRSA-N 1 2 366.487 2.041 20 5 FEBDLO CCCCCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000755493770 680417279 /nfs/dbraw/zinc/41/72/79/680417279.db2.gz ICPIOPQOFHUWEO-UHFFFAOYSA-N 1 2 355.460 2.481 20 5 FEBDLO Cc1nc(N2CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)cc[nH+]1 ZINC000758921897 680615022 /nfs/dbraw/zinc/61/50/22/680615022.db2.gz IEBSFDKKRYVNOV-UHFFFAOYSA-N 1 2 358.427 2.212 20 5 FEBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000769384759 680980317 /nfs/dbraw/zinc/98/03/17/680980317.db2.gz VYIKEFBDEKOKPV-NSHDSACASA-N 1 2 359.220 2.331 20 5 FEBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000769384759 680980319 /nfs/dbraw/zinc/98/03/19/680980319.db2.gz VYIKEFBDEKOKPV-NSHDSACASA-N 1 2 359.220 2.331 20 5 FEBDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1C ZINC000787328770 682450810 /nfs/dbraw/zinc/45/08/10/682450810.db2.gz UHVLEOCCACCWRO-KOLCDFICSA-N 1 2 355.778 2.070 20 5 FEBDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1C ZINC000787328770 682450812 /nfs/dbraw/zinc/45/08/12/682450812.db2.gz UHVLEOCCACCWRO-KOLCDFICSA-N 1 2 355.778 2.070 20 5 FEBDLO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000856591394 682794293 /nfs/dbraw/zinc/79/42/93/682794293.db2.gz ARRXWHAHYLDZJL-HNNXBMFYSA-N 1 2 352.416 2.171 20 5 FEBDLO CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000856591394 682794295 /nfs/dbraw/zinc/79/42/95/682794295.db2.gz ARRXWHAHYLDZJL-HNNXBMFYSA-N 1 2 352.416 2.171 20 5 FEBDLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000862473553 683593699 /nfs/dbraw/zinc/59/36/99/683593699.db2.gz AHPHAOVAGSLKSK-CQSZACIVSA-N 1 2 373.203 2.121 20 5 FEBDLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000862473553 683593703 /nfs/dbraw/zinc/59/37/03/683593703.db2.gz AHPHAOVAGSLKSK-CQSZACIVSA-N 1 2 373.203 2.121 20 5 FEBDLO NC(=O)[C@@H](F)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000931219474 684242913 /nfs/dbraw/zinc/24/29/13/684242913.db2.gz IXGCLEIWFAJQQX-ZDUSSCGKSA-N 1 2 374.210 2.393 20 5 FEBDLO C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872046970 684917054 /nfs/dbraw/zinc/91/70/54/684917054.db2.gz AJHLUVMGYDXTMC-RISCZKNCSA-N 1 2 351.378 2.164 20 5 FEBDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)Oc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000881737151 687199924 /nfs/dbraw/zinc/19/99/24/687199924.db2.gz SFZUKYQEOHPXMY-UHFFFAOYSA-N 1 2 366.370 2.490 20 5 FEBDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)Oc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000881737151 687199928 /nfs/dbraw/zinc/19/99/28/687199928.db2.gz SFZUKYQEOHPXMY-UHFFFAOYSA-N 1 2 366.370 2.490 20 5 FEBDLO Cn1ncc([N+](=O)[O-])c1N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000893057552 689289802 /nfs/dbraw/zinc/28/98/02/689289802.db2.gz ZJOPLLMPSBZCLV-LSDHHAIUSA-N 1 2 365.821 2.466 20 5 FEBDLO Cn1ncc([N+](=O)[O-])c1N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000893057552 689289804 /nfs/dbraw/zinc/28/98/04/689289804.db2.gz ZJOPLLMPSBZCLV-LSDHHAIUSA-N 1 2 365.821 2.466 20 5 FEBDLO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC001165038323 721902376 /nfs/dbraw/zinc/90/23/76/721902376.db2.gz QARVFJGNISCVGO-JTQLQIEISA-N 1 2 373.866 2.061 20 5 FEBDLO C[C@@H]1C[N@H+](CCOC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCO1 ZINC000800221446 674034239 /nfs/dbraw/zinc/03/42/39/674034239.db2.gz MTXBEHWVJHFQGA-SNVBAGLBSA-N 1 2 360.769 2.194 20 5 FEBDLO C[C@@H]1C[N@@H+](CCOC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCO1 ZINC000800221446 674034242 /nfs/dbraw/zinc/03/42/42/674034242.db2.gz MTXBEHWVJHFQGA-SNVBAGLBSA-N 1 2 360.769 2.194 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000007224348 539451468 /nfs/dbraw/zinc/45/14/68/539451468.db2.gz FDDYFLTWGUDABS-CQSZACIVSA-N 1 2 370.409 2.450 20 5 FEBDLO CS(=O)(=O)N1CC[NH+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000015400910 539617034 /nfs/dbraw/zinc/61/70/34/539617034.db2.gz PXGWXKZFLGKIAA-UHFFFAOYSA-N 1 2 372.446 2.023 20 5 FEBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000025639051 539764277 /nfs/dbraw/zinc/76/42/77/539764277.db2.gz AQWZRZLRDZORFW-ZDUSSCGKSA-N 1 2 355.394 2.477 20 5 FEBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)[N@H+]1CCc2ccccc2C1 ZINC000025639051 539764281 /nfs/dbraw/zinc/76/42/81/539764281.db2.gz AQWZRZLRDZORFW-ZDUSSCGKSA-N 1 2 355.394 2.477 20 5 FEBDLO CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026349930 539784666 /nfs/dbraw/zinc/78/46/66/539784666.db2.gz WYIPZWUTRNGMDJ-ZDUSSCGKSA-N 1 2 370.409 2.413 20 5 FEBDLO CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026349930 539784669 /nfs/dbraw/zinc/78/46/69/539784669.db2.gz WYIPZWUTRNGMDJ-ZDUSSCGKSA-N 1 2 370.409 2.413 20 5 FEBDLO Cc1ccc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1[N+](=O)[O-] ZINC000030312272 539879080 /nfs/dbraw/zinc/87/90/80/539879080.db2.gz UCGDVVMUZDBAID-UHFFFAOYSA-N 1 2 356.382 2.065 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000030339231 539880003 /nfs/dbraw/zinc/88/00/03/539880003.db2.gz OBFGOIJDHOXUSM-UHFFFAOYSA-N 1 2 372.406 2.318 20 5 FEBDLO O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000030298840 539878306 /nfs/dbraw/zinc/87/83/06/539878306.db2.gz IWJYOSAPWQYEBC-UHFFFAOYSA-N 1 2 356.382 2.285 20 5 FEBDLO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000031676952 539916440 /nfs/dbraw/zinc/91/64/40/539916440.db2.gz BWJNOQMMRXXOAL-UHFFFAOYSA-N 1 2 361.423 2.380 20 5 FEBDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000041311118 540016736 /nfs/dbraw/zinc/01/67/36/540016736.db2.gz VZOVKPDPGFAJTI-UHFFFAOYSA-N 1 2 373.756 2.151 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCc1cn2ccccc2[nH+]1 ZINC000046033847 540238557 /nfs/dbraw/zinc/23/85/57/540238557.db2.gz AJSIAAYREOQXFZ-UHFFFAOYSA-N 1 2 360.395 2.072 20 5 FEBDLO CCN(CC)C(=O)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051182627 540425951 /nfs/dbraw/zinc/42/59/51/540425951.db2.gz PWJLCLPSGYFLLQ-UHFFFAOYSA-N 1 2 350.419 2.053 20 5 FEBDLO CC(=O)N1CC[NH+](CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000052129234 540455422 /nfs/dbraw/zinc/45/54/22/540455422.db2.gz IQRFKKOHPBZREX-UHFFFAOYSA-N 1 2 360.336 2.190 20 5 FEBDLO Cc1cc(C[NH+]2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC000053353748 540528785 /nfs/dbraw/zinc/52/87/85/540528785.db2.gz ITYCLOMLBOCPTE-QPJJXVBHSA-N 1 2 356.382 2.249 20 5 FEBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000055417507 540652673 /nfs/dbraw/zinc/65/26/73/540652673.db2.gz VBABYUWDXCHFAE-KBPBESRZSA-N 1 2 373.413 2.039 20 5 FEBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)c2)CC1 ZINC000057273822 540784676 /nfs/dbraw/zinc/78/46/76/540784676.db2.gz QRKUBFJZBICNBD-UHFFFAOYSA-N 1 2 369.425 2.177 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2scnc2C)c([N+](=O)[O-])c1 ZINC000066565563 541338045 /nfs/dbraw/zinc/33/80/45/541338045.db2.gz WHTLAPKDCZMXQL-UHFFFAOYSA-N 1 2 350.400 2.439 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2scnc2C)c([N+](=O)[O-])c1 ZINC000066565563 541338048 /nfs/dbraw/zinc/33/80/48/541338048.db2.gz WHTLAPKDCZMXQL-UHFFFAOYSA-N 1 2 350.400 2.439 20 5 FEBDLO O=[N+]([O-])c1cccc2ncnc(NCc3ccc(N4CCOCC4)[nH+]c3)c21 ZINC000542506562 541417528 /nfs/dbraw/zinc/41/75/28/541417528.db2.gz IOBMADMOPPFHFI-UHFFFAOYSA-N 1 2 366.381 2.382 20 5 FEBDLO C[C@@H](COCC(F)(F)F)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000067279138 541440482 /nfs/dbraw/zinc/44/04/82/541440482.db2.gz PWYGFRHAQXRHAE-JTQLQIEISA-N 1 2 372.303 2.478 20 5 FEBDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000067652150 541494948 /nfs/dbraw/zinc/49/49/48/541494948.db2.gz ALRXJEMSZINJPE-OAHLLOKOSA-N 1 2 373.413 2.478 20 5 FEBDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000067652150 541494950 /nfs/dbraw/zinc/49/49/50/541494950.db2.gz ALRXJEMSZINJPE-OAHLLOKOSA-N 1 2 373.413 2.478 20 5 FEBDLO O=C(CCOc1ccccc1[N+](=O)[O-])NCCc1cn2c([nH+]1)CCCC2 ZINC000067793226 541514359 /nfs/dbraw/zinc/51/43/59/541514359.db2.gz BRLNIKFFZKQSMH-UHFFFAOYSA-N 1 2 358.398 2.255 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000075709529 542199453 /nfs/dbraw/zinc/19/94/53/542199453.db2.gz XMHLTZNEESKNIZ-UHFFFAOYSA-N 1 2 358.276 2.292 20 5 FEBDLO C[C@@H](Sc1[nH+]cnc2c1cnn2C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000011681180 207318672 /nfs/dbraw/zinc/31/86/72/207318672.db2.gz AYHHYRIRTGUKOF-SECBINFHSA-N 1 2 358.383 2.391 20 5 FEBDLO CC[C@@H](C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)OC(C)(C)C ZINC000090565260 542786617 /nfs/dbraw/zinc/78/66/17/542786617.db2.gz JIOIMYKKSKRGLY-CYBMUJFWSA-N 1 2 353.419 2.199 20 5 FEBDLO CC[C@@H](C)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)OC(C)(C)C ZINC000090565260 542786620 /nfs/dbraw/zinc/78/66/20/542786620.db2.gz JIOIMYKKSKRGLY-CYBMUJFWSA-N 1 2 353.419 2.199 20 5 FEBDLO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000092218518 542848821 /nfs/dbraw/zinc/84/88/21/542848821.db2.gz LYODZTPRXXLGEK-HNNXBMFYSA-N 1 2 371.384 2.493 20 5 FEBDLO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(C)(CO)CO ZINC000093502523 542932021 /nfs/dbraw/zinc/93/20/21/542932021.db2.gz DQGPNGLRIWWBDM-UHFFFAOYSA-N 1 2 351.428 2.141 20 5 FEBDLO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(C)(CO)CO ZINC000093502523 542932022 /nfs/dbraw/zinc/93/20/22/542932022.db2.gz DQGPNGLRIWWBDM-UHFFFAOYSA-N 1 2 351.428 2.141 20 5 FEBDLO Cc1cccc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)c1[N+](=O)[O-] ZINC000031326074 136117231 /nfs/dbraw/zinc/11/72/31/136117231.db2.gz ORXXJXQPSMDXIE-UHFFFAOYSA-N 1 2 356.382 2.065 20 5 FEBDLO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(n2cc[nH+]c2)CC1 ZINC000101861861 543046506 /nfs/dbraw/zinc/04/65/06/543046506.db2.gz QIQKGMOCHJEEBK-UHFFFAOYSA-N 1 2 366.381 2.454 20 5 FEBDLO COc1ccc(NC(=O)C[NH+]2CCC(n3ccnc3)CC2)c([N+](=O)[O-])c1 ZINC000109792625 543339516 /nfs/dbraw/zinc/33/95/16/543339516.db2.gz KXOBCJDCSFVNNH-UHFFFAOYSA-N 1 2 359.386 2.076 20 5 FEBDLO O=[N+]([O-])c1c(Nc2cnn(CC[NH+]3CCOCC3)c2)ccc2ncccc21 ZINC000112080031 543429915 /nfs/dbraw/zinc/42/99/15/543429915.db2.gz NUCKBRDFOPQOHW-UHFFFAOYSA-N 1 2 368.397 2.415 20 5 FEBDLO CCN(CC)C(=O)C[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116345980 543607384 /nfs/dbraw/zinc/60/73/84/543607384.db2.gz XZQYVBRMJKQNSU-UHFFFAOYSA-N 1 2 368.865 2.234 20 5 FEBDLO COC(=O)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000118653357 543654974 /nfs/dbraw/zinc/65/49/74/543654974.db2.gz XJIHGHZBLGMUKH-AWEZNQCLSA-N 1 2 360.370 2.098 20 5 FEBDLO COc1cc(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000123564699 543769161 /nfs/dbraw/zinc/76/91/61/543769161.db2.gz ORFOJPQRLDKGOT-UHFFFAOYSA-N 1 2 365.430 2.302 20 5 FEBDLO COc1cc(C[N@H+]2CCCN(C(=O)C(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000123564699 543769165 /nfs/dbraw/zinc/76/91/65/543769165.db2.gz ORFOJPQRLDKGOT-UHFFFAOYSA-N 1 2 365.430 2.302 20 5 FEBDLO CC[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000123649652 543775129 /nfs/dbraw/zinc/77/51/29/543775129.db2.gz MRULGHZXXMBDAD-MNOVXSKESA-N 1 2 373.251 2.034 20 5 FEBDLO CC[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000123649652 543775132 /nfs/dbraw/zinc/77/51/32/543775132.db2.gz MRULGHZXXMBDAD-MNOVXSKESA-N 1 2 373.251 2.034 20 5 FEBDLO COc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000124145625 543803368 /nfs/dbraw/zinc/80/33/68/543803368.db2.gz LIUUANOCGMTESS-GOSISDBHSA-N 1 2 371.393 2.443 20 5 FEBDLO COc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000124145625 543803371 /nfs/dbraw/zinc/80/33/71/543803371.db2.gz LIUUANOCGMTESS-GOSISDBHSA-N 1 2 371.393 2.443 20 5 FEBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NCCc1ccc(F)cc1 ZINC000131248324 544181924 /nfs/dbraw/zinc/18/19/24/544181924.db2.gz UGPDYUOURYEWTG-UHFFFAOYSA-N 1 2 357.385 2.451 20 5 FEBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NCCc1ccc(F)cc1 ZINC000131248324 544181927 /nfs/dbraw/zinc/18/19/27/544181927.db2.gz UGPDYUOURYEWTG-UHFFFAOYSA-N 1 2 357.385 2.451 20 5 FEBDLO CCOC(=O)C1([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCCC1 ZINC000151241977 544520294 /nfs/dbraw/zinc/52/02/94/544520294.db2.gz GEIUIODYZIFGIB-UHFFFAOYSA-N 1 2 363.414 2.392 20 5 FEBDLO CCOC(=O)C1([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCCC1 ZINC000151241977 544520298 /nfs/dbraw/zinc/52/02/98/544520298.db2.gz GEIUIODYZIFGIB-UHFFFAOYSA-N 1 2 363.414 2.392 20 5 FEBDLO Cc1cc(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000153817675 544828524 /nfs/dbraw/zinc/82/85/24/544828524.db2.gz AUTMDZWYWFDQJI-UHFFFAOYSA-N 1 2 374.401 2.076 20 5 FEBDLO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000181217467 327720989 /nfs/dbraw/zinc/72/09/89/327720989.db2.gz PIJVWNRYJMFPMZ-UHFFFAOYSA-N 1 2 358.373 2.274 20 5 FEBDLO CSc1cccc(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000186052164 327944867 /nfs/dbraw/zinc/94/48/67/327944867.db2.gz HRLIQQAIBNPZTL-CQSZACIVSA-N 1 2 367.471 2.403 20 5 FEBDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804541590 674291300 /nfs/dbraw/zinc/29/13/00/674291300.db2.gz FDRIGVTVKJMCCK-ZDUSSCGKSA-N 1 2 366.849 2.381 20 5 FEBDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000188786871 328110837 /nfs/dbraw/zinc/11/08/37/328110837.db2.gz MVGAMSGRZZWJJZ-RDJZCZTQSA-N 1 2 360.366 2.353 20 5 FEBDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000188786871 328110839 /nfs/dbraw/zinc/11/08/39/328110839.db2.gz MVGAMSGRZZWJJZ-RDJZCZTQSA-N 1 2 360.366 2.353 20 5 FEBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@@H](O)COc3ccc(F)cc3)C2)cc1 ZINC000189463692 328149935 /nfs/dbraw/zinc/14/99/35/328149935.db2.gz JLNYSJLPTDOFGZ-OAHLLOKOSA-N 1 2 362.357 2.237 20 5 FEBDLO O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000025398653 324418392 /nfs/dbraw/zinc/41/83/92/324418392.db2.gz QTQXMQQGYVSUOH-UHFFFAOYSA-N 1 2 371.393 2.445 20 5 FEBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccncc2)CC1 ZINC000047610504 324640512 /nfs/dbraw/zinc/64/05/12/324640512.db2.gz ANYMSGKDOFRVKJ-UHFFFAOYSA-N 1 2 370.409 2.103 20 5 FEBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000080946062 325150507 /nfs/dbraw/zinc/15/05/07/325150507.db2.gz ROYQICXVQLHTBX-AWEZNQCLSA-N 1 2 353.806 2.185 20 5 FEBDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000115389192 325955524 /nfs/dbraw/zinc/95/55/24/325955524.db2.gz AIHRLJZQZLNHOU-UHFFFAOYSA-N 1 2 371.441 2.212 20 5 FEBDLO COc1cc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000119298167 326147082 /nfs/dbraw/zinc/14/70/82/326147082.db2.gz XHEKKJKWLSFNLF-CYBMUJFWSA-N 1 2 358.398 2.432 20 5 FEBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccco1 ZINC000119498605 326168896 /nfs/dbraw/zinc/16/88/96/326168896.db2.gz SWQCQMGTEIZOJJ-LBPRGKRZSA-N 1 2 373.818 2.422 20 5 FEBDLO Cc1cnccc1CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000120732329 326282901 /nfs/dbraw/zinc/28/29/01/326282901.db2.gz HDAWUSJHQFYODB-UHFFFAOYSA-N 1 2 351.366 2.456 20 5 FEBDLO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000121681411 326357659 /nfs/dbraw/zinc/35/76/59/326357659.db2.gz NLJVARRBLPARAX-CQSZACIVSA-N 1 2 372.337 2.500 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130922102 326565731 /nfs/dbraw/zinc/56/57/31/326565731.db2.gz KFBCEECIOHVDJX-UHFFFAOYSA-N 1 2 359.357 2.398 20 5 FEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000131235967 326570707 /nfs/dbraw/zinc/57/07/07/326570707.db2.gz HHTGZNMQSFQKQR-UHFFFAOYSA-N 1 2 353.444 2.111 20 5 FEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000136033800 326649304 /nfs/dbraw/zinc/64/93/04/326649304.db2.gz KKFXOZJVIOUZDV-LBPRGKRZSA-N 1 2 353.444 2.157 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000151244088 326677960 /nfs/dbraw/zinc/67/79/60/326677960.db2.gz FERREZRCHLPFFU-IUODEOHRSA-N 1 2 364.427 2.372 20 5 FEBDLO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000170751966 327097128 /nfs/dbraw/zinc/09/71/28/327097128.db2.gz KCSJEEHHZQTBCG-CQSZACIVSA-N 1 2 372.381 2.438 20 5 FEBDLO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000170751966 327097129 /nfs/dbraw/zinc/09/71/29/327097129.db2.gz KCSJEEHHZQTBCG-CQSZACIVSA-N 1 2 372.381 2.438 20 5 FEBDLO CC1(C)COCC[N@@H+]1CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000170869486 327104292 /nfs/dbraw/zinc/10/42/92/327104292.db2.gz XURBLHBFCIWENZ-UHFFFAOYSA-N 1 2 362.430 2.010 20 5 FEBDLO CC1(C)COCC[N@H+]1CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000170869486 327104293 /nfs/dbraw/zinc/10/42/93/327104293.db2.gz XURBLHBFCIWENZ-UHFFFAOYSA-N 1 2 362.430 2.010 20 5 FEBDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000171994831 327174905 /nfs/dbraw/zinc/17/49/05/327174905.db2.gz YUZFRBJMNHCOPU-INIZCTEOSA-N 1 2 362.430 2.175 20 5 FEBDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000171994831 327174907 /nfs/dbraw/zinc/17/49/07/327174907.db2.gz YUZFRBJMNHCOPU-INIZCTEOSA-N 1 2 362.430 2.175 20 5 FEBDLO Cn1cc([C@H]2CCC[N@@H+]2[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000173318027 327249678 /nfs/dbraw/zinc/24/96/78/327249678.db2.gz OAAHQDWPIKOONF-IAGOWNOFSA-N 1 2 355.398 2.271 20 5 FEBDLO Cn1cc([C@H]2CCC[N@H+]2[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000173318027 327249679 /nfs/dbraw/zinc/24/96/79/327249679.db2.gz OAAHQDWPIKOONF-IAGOWNOFSA-N 1 2 355.398 2.271 20 5 FEBDLO COc1cc(C[N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)ccc1O ZINC000174538805 327333429 /nfs/dbraw/zinc/33/34/29/327333429.db2.gz CGCYGHMJWMNGST-UHFFFAOYSA-N 1 2 371.393 2.330 20 5 FEBDLO COc1cc(C[N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)ccc1O ZINC000174538805 327333431 /nfs/dbraw/zinc/33/34/31/327333431.db2.gz CGCYGHMJWMNGST-UHFFFAOYSA-N 1 2 371.393 2.330 20 5 FEBDLO Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000174791396 327351434 /nfs/dbraw/zinc/35/14/34/327351434.db2.gz ZEYFGIJKMKXTPX-IBGZPJMESA-N 1 2 369.421 2.395 20 5 FEBDLO O=C(N[C@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177665351 327536541 /nfs/dbraw/zinc/53/65/41/327536541.db2.gz YAZLRINLJWILNG-KEYYUXOJSA-N 1 2 356.382 2.468 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2cn3c([nH+]2)CCCC3)cc1C ZINC000263746310 328958743 /nfs/dbraw/zinc/95/87/43/328958743.db2.gz FYYNQCBCICGUSX-UHFFFAOYSA-N 1 2 364.427 2.223 20 5 FEBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000266380048 329217009 /nfs/dbraw/zinc/21/70/09/329217009.db2.gz TXYHJSAUZLEGOV-AWEZNQCLSA-N 1 2 358.398 2.013 20 5 FEBDLO C[C@]1(O)CC[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000267397438 329323018 /nfs/dbraw/zinc/32/30/18/329323018.db2.gz YPABNQNZSOSYLS-INIZCTEOSA-N 1 2 362.411 2.114 20 5 FEBDLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000267397438 329323019 /nfs/dbraw/zinc/32/30/19/329323019.db2.gz YPABNQNZSOSYLS-INIZCTEOSA-N 1 2 362.411 2.114 20 5 FEBDLO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000268046315 329380193 /nfs/dbraw/zinc/38/01/93/329380193.db2.gz JJLUVQXTORXEGY-JTQLQIEISA-N 1 2 354.363 2.025 20 5 FEBDLO COc1cc(C[NH2+][C@@H](C)c2nncn2C)c([N+](=O)[O-])cc1OC(F)F ZINC000275151241 330015654 /nfs/dbraw/zinc/01/56/54/330015654.db2.gz GSROKQOUONLCIY-QMMMGPOBSA-N 1 2 357.317 2.184 20 5 FEBDLO Cc1nc(C(C)(C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)no1 ZINC000275424990 330047243 /nfs/dbraw/zinc/04/72/43/330047243.db2.gz ASONDLKOJUHYJH-UHFFFAOYSA-N 1 2 351.338 2.279 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCOCC2(CCC2)C1 ZINC000375784060 330251150 /nfs/dbraw/zinc/25/11/50/330251150.db2.gz ARXUSCNMFFNZPX-CYBMUJFWSA-N 1 2 363.414 2.433 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCOCC2(CCC2)C1 ZINC000375784060 330251151 /nfs/dbraw/zinc/25/11/51/330251151.db2.gz ARXUSCNMFFNZPX-CYBMUJFWSA-N 1 2 363.414 2.433 20 5 FEBDLO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000155766434 545567232 /nfs/dbraw/zinc/56/72/32/545567232.db2.gz ZLDZDWCCAYJIEZ-UHFFFAOYSA-N 1 2 373.384 2.457 20 5 FEBDLO O=C(CCC1CCCCC1)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176214297 546419968 /nfs/dbraw/zinc/41/99/68/546419968.db2.gz LKSUVDXZQYQDGJ-UHFFFAOYSA-N 1 2 363.462 2.296 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000179506616 546968481 /nfs/dbraw/zinc/96/84/81/546968481.db2.gz BFQBYYMQJNJVHX-CYBMUJFWSA-N 1 2 370.413 2.408 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000179506616 546968485 /nfs/dbraw/zinc/96/84/85/546968485.db2.gz BFQBYYMQJNJVHX-CYBMUJFWSA-N 1 2 370.413 2.408 20 5 FEBDLO C[C@H](c1cccc(F)c1)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000179642812 546990511 /nfs/dbraw/zinc/99/05/11/546990511.db2.gz MMABZEHZORIZBZ-OAHLLOKOSA-N 1 2 374.416 2.274 20 5 FEBDLO CC(C)(C)OC(=O)CNC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000182226519 547456794 /nfs/dbraw/zinc/45/67/94/547456794.db2.gz ODZCIOWLJKHZLF-UHFFFAOYSA-N 1 2 363.414 2.017 20 5 FEBDLO CC(C)(C)OC(=O)CNC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000182226519 547456799 /nfs/dbraw/zinc/45/67/99/547456799.db2.gz ODZCIOWLJKHZLF-UHFFFAOYSA-N 1 2 363.414 2.017 20 5 FEBDLO CCOc1cccc(N2CC[NH+](CC(=O)N[C@H](C)CC)CC2)c1[N+](=O)[O-] ZINC000183141520 547609499 /nfs/dbraw/zinc/60/94/99/547609499.db2.gz RZOBKACWCFBMBL-CQSZACIVSA-N 1 2 364.446 2.030 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000183328651 547639565 /nfs/dbraw/zinc/63/95/65/547639565.db2.gz NXWRUYRPLYMZMV-UHFFFAOYSA-N 1 2 374.485 2.470 20 5 FEBDLO CC[C@H](C)[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(=O)OC ZINC000183665347 547698230 /nfs/dbraw/zinc/69/82/30/547698230.db2.gz PSATXUIMYVMXRQ-ZBEGNZNMSA-N 1 2 351.403 2.409 20 5 FEBDLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H](C)O1 ZINC000184698917 547867186 /nfs/dbraw/zinc/86/71/86/547867186.db2.gz IZQPSLKSRQWOMN-GUTXKFCHSA-N 1 2 363.414 2.014 20 5 FEBDLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H](C)O1 ZINC000184698917 547867190 /nfs/dbraw/zinc/86/71/90/547867190.db2.gz IZQPSLKSRQWOMN-GUTXKFCHSA-N 1 2 363.414 2.014 20 5 FEBDLO C[C@@H]1CCCN(c2ccc(C(=O)NCc3[nH+]ccn3C)cc2[N+](=O)[O-])C1 ZINC000485508140 561320644 /nfs/dbraw/zinc/32/06/44/561320644.db2.gz VGURVUJPFMEGEE-CYBMUJFWSA-N 1 2 357.414 2.495 20 5 FEBDLO CC[C@H]1C[N@H+](CCNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CCO1 ZINC000485997319 561334790 /nfs/dbraw/zinc/33/47/90/561334790.db2.gz CLBMBTGFUWULTN-HNNXBMFYSA-N 1 2 364.446 2.256 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CCO1 ZINC000485997319 561334791 /nfs/dbraw/zinc/33/47/91/561334791.db2.gz CLBMBTGFUWULTN-HNNXBMFYSA-N 1 2 364.446 2.256 20 5 FEBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(C)(CO)CC2)c([N+](=O)[O-])c1 ZINC000186905305 548216467 /nfs/dbraw/zinc/21/64/67/548216467.db2.gz PGRLACNCXXLGPJ-UHFFFAOYSA-N 1 2 351.403 2.026 20 5 FEBDLO O=C(NC1CC1)c1ccc(N2CC[NH+](Cc3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000198361585 548660935 /nfs/dbraw/zinc/66/09/35/548660935.db2.gz BBDYBQPQDRVLSU-UHFFFAOYSA-N 1 2 370.409 2.402 20 5 FEBDLO COC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246685114 549188748 /nfs/dbraw/zinc/18/87/48/549188748.db2.gz ZHCXYQFMIMCWTI-QFYYESIMSA-N 1 2 369.805 2.460 20 5 FEBDLO COC(=O)[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246685114 549188751 /nfs/dbraw/zinc/18/87/51/549188751.db2.gz ZHCXYQFMIMCWTI-QFYYESIMSA-N 1 2 369.805 2.460 20 5 FEBDLO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)C1 ZINC000249089735 549550103 /nfs/dbraw/zinc/55/01/03/549550103.db2.gz KDGOKDYYQAKLNN-RYUDHWBXSA-N 1 2 363.439 2.337 20 5 FEBDLO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)C1 ZINC000249089735 549550108 /nfs/dbraw/zinc/55/01/08/549550108.db2.gz KDGOKDYYQAKLNN-RYUDHWBXSA-N 1 2 363.439 2.337 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000251892399 549656806 /nfs/dbraw/zinc/65/68/06/549656806.db2.gz QJNKOGHJSVIJEF-BFQNTYOBSA-N 1 2 351.403 2.287 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000251892399 549656809 /nfs/dbraw/zinc/65/68/09/549656809.db2.gz QJNKOGHJSVIJEF-BFQNTYOBSA-N 1 2 351.403 2.287 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000262392168 549816631 /nfs/dbraw/zinc/81/66/31/549816631.db2.gz OIMSOUIDUQNMKJ-MRXNPFEDSA-N 1 2 370.409 2.480 20 5 FEBDLO CC(C)C(=O)N1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000263988081 549964623 /nfs/dbraw/zinc/96/46/23/549964623.db2.gz IPRRXTVYXHDWBC-UHFFFAOYSA-N 1 2 371.441 2.296 20 5 FEBDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000268411378 550060976 /nfs/dbraw/zinc/06/09/76/550060976.db2.gz APAOWZZNLYGMSD-DGCLKSJQSA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000268411378 550060980 /nfs/dbraw/zinc/06/09/80/550060980.db2.gz APAOWZZNLYGMSD-DGCLKSJQSA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000268411378 550060984 /nfs/dbraw/zinc/06/09/84/550060984.db2.gz APAOWZZNLYGMSD-DGCLKSJQSA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000268411378 550060988 /nfs/dbraw/zinc/06/09/88/550060988.db2.gz APAOWZZNLYGMSD-DGCLKSJQSA-N 1 2 358.402 2.228 20 5 FEBDLO NC(=O)c1ccc(N2CC[NH+](Cc3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000268869185 550125229 /nfs/dbraw/zinc/12/52/29/550125229.db2.gz UAAVLFQWVJMMLL-UHFFFAOYSA-N 1 2 358.373 2.155 20 5 FEBDLO CCOc1cc(C[NH+]2CCN(Cc3nccn3C)CC2)ccc1[N+](=O)[O-] ZINC000492632564 561452046 /nfs/dbraw/zinc/45/20/46/561452046.db2.gz SRTIEQWWAKVARP-UHFFFAOYSA-N 1 2 359.430 2.045 20 5 FEBDLO CCOc1cc(C[N@@H+]2CCSC[C@H]2CC(=O)OC)ccc1[N+](=O)[O-] ZINC000492649450 561452213 /nfs/dbraw/zinc/45/22/13/561452213.db2.gz IBVSYXIGGRRGER-CYBMUJFWSA-N 1 2 354.428 2.474 20 5 FEBDLO CCOc1cc(C[N@H+]2CCSC[C@H]2CC(=O)OC)ccc1[N+](=O)[O-] ZINC000492649450 561452214 /nfs/dbraw/zinc/45/22/14/561452214.db2.gz IBVSYXIGGRRGER-CYBMUJFWSA-N 1 2 354.428 2.474 20 5 FEBDLO COc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000492682127 561452340 /nfs/dbraw/zinc/45/23/40/561452340.db2.gz KUHWKSJIYMMRDG-GDBMZVCRSA-N 1 2 356.444 2.391 20 5 FEBDLO COc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000492682127 561452341 /nfs/dbraw/zinc/45/23/41/561452341.db2.gz KUHWKSJIYMMRDG-GDBMZVCRSA-N 1 2 356.444 2.391 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000492965421 561453746 /nfs/dbraw/zinc/45/37/46/561453746.db2.gz ZVWKMFPEWOVVSM-AWEZNQCLSA-N 1 2 372.429 2.215 20 5 FEBDLO Cn1ccnc1[C@@H](NCC[NH+]1CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272549686 550457535 /nfs/dbraw/zinc/45/75/35/550457535.db2.gz RCVNKBGOMRVOAT-INIZCTEOSA-N 1 2 361.471 2.056 20 5 FEBDLO Cn1ccnc1[C@@H]([NH2+]CCN1CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272549686 550457536 /nfs/dbraw/zinc/45/75/36/550457536.db2.gz RCVNKBGOMRVOAT-INIZCTEOSA-N 1 2 361.471 2.056 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000273290421 550493056 /nfs/dbraw/zinc/49/30/56/550493056.db2.gz MQEKCEBPLABMLW-ZFWWWQNUSA-N 1 2 365.430 2.271 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000273290421 550493058 /nfs/dbraw/zinc/49/30/58/550493058.db2.gz MQEKCEBPLABMLW-ZFWWWQNUSA-N 1 2 365.430 2.271 20 5 FEBDLO C[C@@H]1c2nncn2CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000276730981 550589834 /nfs/dbraw/zinc/58/98/34/550589834.db2.gz BNVFCMPBTXNDAN-GFCCVEGCSA-N 1 2 354.370 2.461 20 5 FEBDLO C[C@@H]1c2nncn2CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000276730981 550589836 /nfs/dbraw/zinc/58/98/36/550589836.db2.gz BNVFCMPBTXNDAN-GFCCVEGCSA-N 1 2 354.370 2.461 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)NCC2([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000277330134 550657095 /nfs/dbraw/zinc/65/70/95/550657095.db2.gz FAFCGTLQYCQZRS-AWEZNQCLSA-N 1 2 362.430 2.128 20 5 FEBDLO COc1cc(Cc2noc(CCn3cc[nH+]c3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000277969532 550733900 /nfs/dbraw/zinc/73/39/00/550733900.db2.gz GNTNIINORSWZQG-UHFFFAOYSA-N 1 2 359.342 2.025 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000278890347 550833134 /nfs/dbraw/zinc/83/31/34/550833134.db2.gz PPKIOEOFCQNPHI-LLVKDONJSA-N 1 2 356.810 2.433 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1 ZINC000278902354 550834227 /nfs/dbraw/zinc/83/42/27/550834227.db2.gz PLIKPNAKRBLRHZ-AWEZNQCLSA-N 1 2 373.862 2.248 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1 ZINC000278902354 550834228 /nfs/dbraw/zinc/83/42/28/550834228.db2.gz PLIKPNAKRBLRHZ-AWEZNQCLSA-N 1 2 373.862 2.248 20 5 FEBDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000279106078 550854706 /nfs/dbraw/zinc/85/47/06/550854706.db2.gz RSCDKHXEEMBSAO-IRXDYDNUSA-N 1 2 371.393 2.135 20 5 FEBDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000279106078 550854707 /nfs/dbraw/zinc/85/47/07/550854707.db2.gz RSCDKHXEEMBSAO-IRXDYDNUSA-N 1 2 371.393 2.135 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000279374554 550882872 /nfs/dbraw/zinc/88/28/72/550882872.db2.gz SVKZZPRCJUEMDU-UHFFFAOYSA-N 1 2 367.471 2.500 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC000279374554 550882874 /nfs/dbraw/zinc/88/28/74/550882874.db2.gz SVKZZPRCJUEMDU-UHFFFAOYSA-N 1 2 367.471 2.500 20 5 FEBDLO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000279518632 550899146 /nfs/dbraw/zinc/89/91/46/550899146.db2.gz YDSHIVAQANNBIJ-SQWLQELKSA-N 1 2 358.398 2.349 20 5 FEBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)CCO2 ZINC000280522340 551003450 /nfs/dbraw/zinc/00/34/50/551003450.db2.gz RXIGEBDHBMIACK-PXAZEXFGSA-N 1 2 360.370 2.025 20 5 FEBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)CCO2 ZINC000280522340 551003451 /nfs/dbraw/zinc/00/34/51/551003451.db2.gz RXIGEBDHBMIACK-PXAZEXFGSA-N 1 2 360.370 2.025 20 5 FEBDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280818309 551035419 /nfs/dbraw/zinc/03/54/19/551035419.db2.gz SATZLLCDSKJNEY-UHFFFAOYSA-N 1 2 371.393 2.063 20 5 FEBDLO O=C(c1cccc([N+](=O)[O-])c1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280851756 551039030 /nfs/dbraw/zinc/03/90/30/551039030.db2.gz ZSFOUHXJHFOXEA-MOPGFXCFSA-N 1 2 367.405 2.320 20 5 FEBDLO O=C(c1cccc([N+](=O)[O-])c1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280851756 551039031 /nfs/dbraw/zinc/03/90/31/551039031.db2.gz ZSFOUHXJHFOXEA-MOPGFXCFSA-N 1 2 367.405 2.320 20 5 FEBDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCCO1 ZINC000281574329 551115165 /nfs/dbraw/zinc/11/51/65/551115165.db2.gz ZGLGHTIRVKVHQJ-TZMCWYRMSA-N 1 2 351.403 2.431 20 5 FEBDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCCO1 ZINC000281574329 551115167 /nfs/dbraw/zinc/11/51/67/551115167.db2.gz ZGLGHTIRVKVHQJ-TZMCWYRMSA-N 1 2 351.403 2.431 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC=C(Br)C1 ZINC000281705008 551132814 /nfs/dbraw/zinc/13/28/14/551132814.db2.gz TZDVMCHOFPABDS-LBPRGKRZSA-N 1 2 357.204 2.319 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC=C(Br)C1 ZINC000281705008 551132816 /nfs/dbraw/zinc/13/28/16/551132816.db2.gz TZDVMCHOFPABDS-LBPRGKRZSA-N 1 2 357.204 2.319 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282259908 551202908 /nfs/dbraw/zinc/20/29/08/551202908.db2.gz RUZYTIYZEQWNMI-GFCCVEGCSA-N 1 2 371.397 2.248 20 5 FEBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)cs1 ZINC000282378898 551220036 /nfs/dbraw/zinc/22/00/36/551220036.db2.gz WZDCJSJZAWEVHH-UHFFFAOYSA-N 1 2 359.473 2.046 20 5 FEBDLO Cn1cc2c(n1)CCC[C@H]2NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000283002432 551296367 /nfs/dbraw/zinc/29/63/67/551296367.db2.gz XKDJOLVFYBUBMF-CQSZACIVSA-N 1 2 366.381 2.321 20 5 FEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C[C@H]1C ZINC000497963209 561512475 /nfs/dbraw/zinc/51/24/75/561512475.db2.gz ATPDZARMXIWDRO-OLZOCXBDSA-N 1 2 355.460 2.315 20 5 FEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C[C@H]1C ZINC000497963209 561512476 /nfs/dbraw/zinc/51/24/76/561512476.db2.gz ATPDZARMXIWDRO-OLZOCXBDSA-N 1 2 355.460 2.315 20 5 FEBDLO Cn1c(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000498113704 561516465 /nfs/dbraw/zinc/51/64/65/561516465.db2.gz GXDWXRDRWDIMSJ-UHFFFAOYSA-N 1 2 353.382 2.151 20 5 FEBDLO CC[C@H](NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000284971650 551680177 /nfs/dbraw/zinc/68/01/77/551680177.db2.gz RAFZWLJNERZJGL-GVDBMIGSSA-N 1 2 362.430 2.160 20 5 FEBDLO CC[C@H](NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000284971650 551680178 /nfs/dbraw/zinc/68/01/78/551680178.db2.gz RAFZWLJNERZJGL-GVDBMIGSSA-N 1 2 362.430 2.160 20 5 FEBDLO CCOC1CC2(C1)CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000285394365 551749004 /nfs/dbraw/zinc/74/90/04/551749004.db2.gz DOCZJRSUQWEADD-UHFFFAOYSA-N 1 2 368.455 2.260 20 5 FEBDLO CCOC1CC2(C1)CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000285394365 551749005 /nfs/dbraw/zinc/74/90/05/551749005.db2.gz DOCZJRSUQWEADD-UHFFFAOYSA-N 1 2 368.455 2.260 20 5 FEBDLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000285585180 551778708 /nfs/dbraw/zinc/77/87/08/551778708.db2.gz LFKAYJTXKFLPPT-ZDUSSCGKSA-N 1 2 361.851 2.104 20 5 FEBDLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000285585180 551778709 /nfs/dbraw/zinc/77/87/09/551778709.db2.gz LFKAYJTXKFLPPT-ZDUSSCGKSA-N 1 2 361.851 2.104 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285680149 551794450 /nfs/dbraw/zinc/79/44/50/551794450.db2.gz QYKSFCOEKGNEIY-CYBMUJFWSA-N 1 2 355.398 2.445 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285680149 551794454 /nfs/dbraw/zinc/79/44/54/551794454.db2.gz QYKSFCOEKGNEIY-CYBMUJFWSA-N 1 2 355.398 2.445 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000285682724 551794811 /nfs/dbraw/zinc/79/48/11/551794811.db2.gz GLLFNHDVUOOWPC-HIFRSBDPSA-N 1 2 365.455 2.009 20 5 FEBDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000286163294 551856197 /nfs/dbraw/zinc/85/61/97/551856197.db2.gz ZXRMTNALBDWOIX-UHFFFAOYSA-N 1 2 354.370 2.453 20 5 FEBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000286878436 551935811 /nfs/dbraw/zinc/93/58/11/551935811.db2.gz ZZEMVTJRNLQZJP-INIZCTEOSA-N 1 2 369.425 2.453 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000287284130 551985144 /nfs/dbraw/zinc/98/51/44/551985144.db2.gz KXJQGBKQSVGOJZ-DGCLKSJQSA-N 1 2 353.806 2.183 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000287520356 552014833 /nfs/dbraw/zinc/01/48/33/552014833.db2.gz VFLAULMALNRINR-OCCSQVGLSA-N 1 2 358.398 2.011 20 5 FEBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@H](CO)C2)c1 ZINC000289689675 552362648 /nfs/dbraw/zinc/36/26/48/552362648.db2.gz DTXJEZWGASIYMI-VIFPVBQESA-N 1 2 362.167 2.014 20 5 FEBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@H](CO)C2)c1 ZINC000289689675 552362651 /nfs/dbraw/zinc/36/26/51/552362651.db2.gz DTXJEZWGASIYMI-VIFPVBQESA-N 1 2 362.167 2.014 20 5 FEBDLO Cc1cc[nH+]cc1N1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000500683797 561579558 /nfs/dbraw/zinc/57/95/58/561579558.db2.gz NWEPXPXFXMPETA-UHFFFAOYSA-N 1 2 370.409 2.334 20 5 FEBDLO COc1ccc(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)cc1[N+](=O)[O-] ZINC000500685943 561579568 /nfs/dbraw/zinc/57/95/68/561579568.db2.gz UZJWDUUORMMCAQ-UHFFFAOYSA-N 1 2 356.382 2.269 20 5 FEBDLO CC(C)(C)OC(=O)CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293189083 552797401 /nfs/dbraw/zinc/79/74/01/552797401.db2.gz QCERHUTUFNHELA-UHFFFAOYSA-N 1 2 363.414 2.084 20 5 FEBDLO CCn1nc(C)c(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000294002609 552874443 /nfs/dbraw/zinc/87/44/43/552874443.db2.gz MHVKKPUJEJCKMB-UHFFFAOYSA-N 1 2 371.441 2.386 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295600860 553031786 /nfs/dbraw/zinc/03/17/86/553031786.db2.gz NBOHUYROZSKDLK-STQMWFEESA-N 1 2 364.402 2.084 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295600860 553031787 /nfs/dbraw/zinc/03/17/87/553031787.db2.gz NBOHUYROZSKDLK-STQMWFEESA-N 1 2 364.402 2.084 20 5 FEBDLO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000295607264 553032689 /nfs/dbraw/zinc/03/26/89/553032689.db2.gz NNGZKVMAMWSRJU-SHZVTRLKSA-N 1 2 368.455 2.432 20 5 FEBDLO Cc1c(NC(=O)C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000295976491 553083706 /nfs/dbraw/zinc/08/37/06/553083706.db2.gz CSFFHHRNWTYUJE-CQSZACIVSA-N 1 2 371.397 2.185 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1N(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000296391073 553152398 /nfs/dbraw/zinc/15/23/98/553152398.db2.gz UYXONDSGAHIMDC-CQSZACIVSA-N 1 2 364.427 2.319 20 5 FEBDLO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000296713905 553201732 /nfs/dbraw/zinc/20/17/32/553201732.db2.gz NGIGTHMFYUIOPI-ZJWNCGCPSA-N 1 2 368.455 2.432 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000530430632 562410926 /nfs/dbraw/zinc/41/09/26/562410926.db2.gz HOISERGKMUISHG-UHFFFAOYSA-N 1 2 359.835 2.097 20 5 FEBDLO CCn1cc[nH+]c1CNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000297763646 553335895 /nfs/dbraw/zinc/33/58/95/553335895.db2.gz LBWFFINKAWOLJY-UHFFFAOYSA-N 1 2 361.358 2.228 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)NCC[N@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000530430632 562410925 /nfs/dbraw/zinc/41/09/25/562410925.db2.gz HOISERGKMUISHG-UHFFFAOYSA-N 1 2 359.835 2.097 20 5 FEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000298111783 553385987 /nfs/dbraw/zinc/38/59/87/553385987.db2.gz OIMMJRDZUQBQHP-INIZCTEOSA-N 1 2 364.352 2.124 20 5 FEBDLO Cc1cc(NC(=O)C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000298811783 553476041 /nfs/dbraw/zinc/47/60/41/553476041.db2.gz ARFMBACTLVFYST-CQSZACIVSA-N 1 2 371.397 2.185 20 5 FEBDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000301215512 553631884 /nfs/dbraw/zinc/63/18/84/553631884.db2.gz XNUULRRYNRMBHF-CYBMUJFWSA-N 1 2 364.421 2.303 20 5 FEBDLO C[C@@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000301644933 553668185 /nfs/dbraw/zinc/66/81/85/553668185.db2.gz OVTLFXYXNBPSRJ-WBMJQRKESA-N 1 2 364.427 2.282 20 5 FEBDLO C[C@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000301644928 553668354 /nfs/dbraw/zinc/66/83/54/553668354.db2.gz OVTLFXYXNBPSRJ-LRDDRELGSA-N 1 2 364.427 2.282 20 5 FEBDLO Cc1cc(N[C@H](C)C(=O)N2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301842250 553684738 /nfs/dbraw/zinc/68/47/38/553684738.db2.gz ZTHCIBASOLSAOT-CYBMUJFWSA-N 1 2 371.397 2.019 20 5 FEBDLO O=[N+]([O-])c1cnc2ccc(NC[C@H](c3ccccc3)[NH+]3CCOCC3)nn21 ZINC000301929894 553692488 /nfs/dbraw/zinc/69/24/88/553692488.db2.gz NZFNJHIHQCGAAW-OAHLLOKOSA-N 1 2 368.397 2.123 20 5 FEBDLO CC(C)c1nc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(N(C)C)[nH+]1 ZINC000301962153 553694735 /nfs/dbraw/zinc/69/47/35/553694735.db2.gz MYUXVAYVOURPOY-LBPRGKRZSA-N 1 2 372.433 2.055 20 5 FEBDLO CC(C)c1nc(N(C)C)nc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH+]1 ZINC000301962153 553694736 /nfs/dbraw/zinc/69/47/36/553694736.db2.gz MYUXVAYVOURPOY-LBPRGKRZSA-N 1 2 372.433 2.055 20 5 FEBDLO Cc1ccc(NCCCNc2cc(N3CCOCC3)nc[nH+]2)c([N+](=O)[O-])c1 ZINC000302895312 553740648 /nfs/dbraw/zinc/74/06/48/553740648.db2.gz ORTALRAZDVPFCP-UHFFFAOYSA-N 1 2 372.429 2.444 20 5 FEBDLO Cc1ccc(NCCCNc2cc(N3CCOCC3)[nH+]cn2)c([N+](=O)[O-])c1 ZINC000302895312 553740649 /nfs/dbraw/zinc/74/06/49/553740649.db2.gz ORTALRAZDVPFCP-UHFFFAOYSA-N 1 2 372.429 2.444 20 5 FEBDLO COc1ccccc1[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000505505227 561672455 /nfs/dbraw/zinc/67/24/55/561672455.db2.gz IJICGSVVXSTIOF-QGZVFWFLSA-N 1 2 373.384 2.458 20 5 FEBDLO C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000303317191 553744769 /nfs/dbraw/zinc/74/47/69/553744769.db2.gz HAYGWFSHTBXCSZ-SJLPKXTDSA-N 1 2 374.485 2.407 20 5 FEBDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000303317191 553744772 /nfs/dbraw/zinc/74/47/72/553744772.db2.gz HAYGWFSHTBXCSZ-SJLPKXTDSA-N 1 2 374.485 2.407 20 5 FEBDLO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000311786102 553755684 /nfs/dbraw/zinc/75/56/84/553755684.db2.gz PUDRRNZEXZOAKG-INIZCTEOSA-N 1 2 359.430 2.433 20 5 FEBDLO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000311786102 553755686 /nfs/dbraw/zinc/75/56/86/553755686.db2.gz PUDRRNZEXZOAKG-INIZCTEOSA-N 1 2 359.430 2.433 20 5 FEBDLO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000505718145 561678345 /nfs/dbraw/zinc/67/83/45/561678345.db2.gz AZLZHBYYSNTLLM-HNNXBMFYSA-N 1 2 351.366 2.258 20 5 FEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000330549126 554136800 /nfs/dbraw/zinc/13/68/00/554136800.db2.gz LWTJXMMXILSXQF-MNOVXSKESA-N 1 2 361.851 2.351 20 5 FEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000330549126 554136801 /nfs/dbraw/zinc/13/68/01/554136801.db2.gz LWTJXMMXILSXQF-MNOVXSKESA-N 1 2 361.851 2.351 20 5 FEBDLO CC[C@@H]1C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@]2(CCOC2)O1 ZINC000331506083 554276694 /nfs/dbraw/zinc/27/66/94/554276694.db2.gz IIMVMIQJBGEDMI-QAPCUYQASA-N 1 2 363.414 2.112 20 5 FEBDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@]2(CCOC2)O1 ZINC000331506083 554276699 /nfs/dbraw/zinc/27/66/99/554276699.db2.gz IIMVMIQJBGEDMI-QAPCUYQASA-N 1 2 363.414 2.112 20 5 FEBDLO Cc1c(C[NH+]2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000331939792 554349734 /nfs/dbraw/zinc/34/97/34/554349734.db2.gz PLBDGQPVQVTULE-INIZCTEOSA-N 1 2 374.485 2.468 20 5 FEBDLO Cc1c(CN2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000331939792 554349736 /nfs/dbraw/zinc/34/97/36/554349736.db2.gz PLBDGQPVQVTULE-INIZCTEOSA-N 1 2 374.485 2.468 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)c2c(c1)COCO2 ZINC000332233103 554405903 /nfs/dbraw/zinc/40/59/03/554405903.db2.gz RBHUYWIRCUGDFF-AWEZNQCLSA-N 1 2 362.304 2.351 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)c2c(c1)COCO2 ZINC000332233103 554405904 /nfs/dbraw/zinc/40/59/04/554405904.db2.gz RBHUYWIRCUGDFF-AWEZNQCLSA-N 1 2 362.304 2.351 20 5 FEBDLO CCN1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1c1[nH]cc[nH+]1 ZINC000510798832 561846990 /nfs/dbraw/zinc/84/69/90/561846990.db2.gz UDFMTQGLMFZQJK-HNNXBMFYSA-N 1 2 351.357 2.475 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CCc1noc(-c2nn(C)cc2[N+](=O)[O-])n1 ZINC000350753319 554810701 /nfs/dbraw/zinc/81/07/01/554810701.db2.gz IWKFNMQIUICRBV-UHFFFAOYSA-N 1 2 353.342 2.279 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000359941956 554857430 /nfs/dbraw/zinc/85/74/30/554857430.db2.gz QDUSWSLCAVPXQZ-AWEZNQCLSA-N 1 2 359.386 2.076 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000359941956 554857431 /nfs/dbraw/zinc/85/74/31/554857431.db2.gz QDUSWSLCAVPXQZ-AWEZNQCLSA-N 1 2 359.386 2.076 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000360277666 554869316 /nfs/dbraw/zinc/86/93/16/554869316.db2.gz BZJLFIWKMZJCDT-ZDUSSCGKSA-N 1 2 359.386 2.076 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000360277666 554869318 /nfs/dbraw/zinc/86/93/18/554869318.db2.gz BZJLFIWKMZJCDT-ZDUSSCGKSA-N 1 2 359.386 2.076 20 5 FEBDLO CC(C)OC(=O)C[C@H](NC(=O)CCn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000511413972 561868403 /nfs/dbraw/zinc/86/84/03/561868403.db2.gz JINGJPZEEWMZJC-HNNXBMFYSA-N 1 2 374.397 2.381 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000364720097 555385098 /nfs/dbraw/zinc/38/50/98/555385098.db2.gz BTNPQIQXVTYBGO-CYBMUJFWSA-N 1 2 350.400 2.461 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(n2ccc(C)n2)CC1 ZINC000364890040 555427220 /nfs/dbraw/zinc/42/72/20/555427220.db2.gz TWHDSXDOCHPCPE-UHFFFAOYSA-N 1 2 373.413 2.384 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000365318952 555541202 /nfs/dbraw/zinc/54/12/02/555541202.db2.gz PHJCMTUEPRIZNM-AWEZNQCLSA-N 1 2 373.862 2.248 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000365318952 555541205 /nfs/dbraw/zinc/54/12/05/555541205.db2.gz PHJCMTUEPRIZNM-AWEZNQCLSA-N 1 2 373.862 2.248 20 5 FEBDLO C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000365592746 555617391 /nfs/dbraw/zinc/61/73/91/555617391.db2.gz AJGNZLDBUPZFTN-PBFPGSCMSA-N 1 2 365.405 2.159 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000365806970 555671621 /nfs/dbraw/zinc/67/16/21/555671621.db2.gz UKIFKPORRSRRPM-UHFFFAOYSA-N 1 2 369.385 2.153 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(Oc2cnccn2)CC1 ZINC000365853136 555683610 /nfs/dbraw/zinc/68/36/10/555683610.db2.gz MLDVEWFURKVWTN-CYBMUJFWSA-N 1 2 371.397 2.255 20 5 FEBDLO CCCS(=O)(=O)CC[N@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000365884053 555692257 /nfs/dbraw/zinc/69/22/57/555692257.db2.gz HPLSIMSAKWZRFO-UHFFFAOYSA-N 1 2 367.471 2.399 20 5 FEBDLO CCCS(=O)(=O)CC[N@@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000365884053 555692258 /nfs/dbraw/zinc/69/22/58/555692258.db2.gz HPLSIMSAKWZRFO-UHFFFAOYSA-N 1 2 367.471 2.399 20 5 FEBDLO C[C@H](CN1CCCC1=O)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000513684253 561946531 /nfs/dbraw/zinc/94/65/31/561946531.db2.gz PXZZGAVHEXDSBP-CXAGYDPISA-N 1 2 357.414 2.018 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000366453097 555848186 /nfs/dbraw/zinc/84/81/86/555848186.db2.gz BKHIKCGGDGYSTF-WBMJQRKESA-N 1 2 351.359 2.273 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000366453097 555848187 /nfs/dbraw/zinc/84/81/87/555848187.db2.gz BKHIKCGGDGYSTF-WBMJQRKESA-N 1 2 351.359 2.273 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000366453095 555848488 /nfs/dbraw/zinc/84/84/88/555848488.db2.gz BKHIKCGGDGYSTF-MLGOLLRUSA-N 1 2 351.359 2.273 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000366453095 555848490 /nfs/dbraw/zinc/84/84/90/555848490.db2.gz BKHIKCGGDGYSTF-MLGOLLRUSA-N 1 2 351.359 2.273 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000367728601 556124677 /nfs/dbraw/zinc/12/46/77/556124677.db2.gz MEJRIIZWNBCLNL-RYUDHWBXSA-N 1 2 353.806 2.183 20 5 FEBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ncc(C4OCCO4)s3)CC2)n1 ZINC000368038857 556201644 /nfs/dbraw/zinc/20/16/44/556201644.db2.gz PVCIGQBMXGZCCN-UHFFFAOYSA-N 1 2 365.415 2.130 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000368267331 556263724 /nfs/dbraw/zinc/26/37/24/556263724.db2.gz ZXNBEHQAZMXXPE-CQSZACIVSA-N 1 2 363.414 2.290 20 5 FEBDLO O=C(c1cccc([N+](=O)[O-])c1F)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000368534559 556337735 /nfs/dbraw/zinc/33/77/35/556337735.db2.gz NTHXPISOEDUKJT-CYBMUJFWSA-N 1 2 351.378 2.061 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000369234165 556543509 /nfs/dbraw/zinc/54/35/09/556543509.db2.gz BBVRJQKMLWZHHC-CYBMUJFWSA-N 1 2 359.386 2.129 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000369234165 556543511 /nfs/dbraw/zinc/54/35/11/556543511.db2.gz BBVRJQKMLWZHHC-CYBMUJFWSA-N 1 2 359.386 2.129 20 5 FEBDLO Cc1cc(N2CCC(NC(=O)c3cccc(C)c3[N+](=O)[O-])CC2)nc[nH+]1 ZINC000370268197 556825496 /nfs/dbraw/zinc/82/54/96/556825496.db2.gz IUHUSOZDOTYGLM-UHFFFAOYSA-N 1 2 355.398 2.400 20 5 FEBDLO O=C(NC1CCN(c2[nH]c3ccccc3[nH+]2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000370598631 556917971 /nfs/dbraw/zinc/91/79/71/556917971.db2.gz LBKYWFPZFXZKIU-UHFFFAOYSA-N 1 2 366.381 2.265 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000371055033 557059563 /nfs/dbraw/zinc/05/95/63/557059563.db2.gz QBZVCVJLVUPWIR-ZDUSSCGKSA-N 1 2 364.427 2.123 20 5 FEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000371304790 557138417 /nfs/dbraw/zinc/13/84/17/557138417.db2.gz VMTCDNOHYUVBSP-AWEZNQCLSA-N 1 2 365.455 2.254 20 5 FEBDLO C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372281466 557428352 /nfs/dbraw/zinc/42/83/52/557428352.db2.gz ITDXIZVHQXXOLT-STQMWFEESA-N 1 2 363.443 2.195 20 5 FEBDLO C[C@@H](C(=O)NCc1cccs1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372281466 557428354 /nfs/dbraw/zinc/42/83/54/557428354.db2.gz ITDXIZVHQXXOLT-STQMWFEESA-N 1 2 363.443 2.195 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)Nc1ccc(F)c(F)c1 ZINC000372353350 557447697 /nfs/dbraw/zinc/44/76/97/557447697.db2.gz FDLFVRACOASQQS-GFCCVEGCSA-N 1 2 365.340 2.345 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)Nc1ccc(F)c(F)c1 ZINC000372353350 557447699 /nfs/dbraw/zinc/44/76/99/557447699.db2.gz FDLFVRACOASQQS-GFCCVEGCSA-N 1 2 365.340 2.345 20 5 FEBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1n[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000372387542 557456860 /nfs/dbraw/zinc/45/68/60/557456860.db2.gz QWIYSRRRWNNFFQ-JTQLQIEISA-N 1 2 368.397 3.061 20 5 FEBDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1n[nH]c3ccc([N+](=O)[O-])cc31)CC2 ZINC000372387542 557456861 /nfs/dbraw/zinc/45/68/61/557456861.db2.gz QWIYSRRRWNNFFQ-JTQLQIEISA-N 1 2 368.397 3.061 20 5 FEBDLO C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H]1c1cccnc1 ZINC000372439611 557470828 /nfs/dbraw/zinc/47/08/28/557470828.db2.gz MWAWDLUQHFHWIS-GUYCJALGSA-N 1 2 356.382 2.118 20 5 FEBDLO C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H]1c1cccnc1 ZINC000372439611 557470831 /nfs/dbraw/zinc/47/08/31/557470831.db2.gz MWAWDLUQHFHWIS-GUYCJALGSA-N 1 2 356.382 2.118 20 5 FEBDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372456555 557475635 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374.340 2.242 20 5 FEBDLO CNC(=O)C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425388053 559699462 /nfs/dbraw/zinc/69/94/62/559699462.db2.gz VYRNFUMPNWUVBB-UHFFFAOYSA-N 1 2 356.220 2.315 20 5 FEBDLO Cn1ncc(Br)c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425997459 559727062 /nfs/dbraw/zinc/72/70/62/559727062.db2.gz XNDYPOATBWIGRK-UHFFFAOYSA-N 1 2 369.223 2.124 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000427705127 559760605 /nfs/dbraw/zinc/76/06/05/559760605.db2.gz HJTSKINOZCQITA-UHFFFAOYSA-N 1 2 360.418 2.340 20 5 FEBDLO CC[C@H]1C[N@H+](CCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000428063611 559769123 /nfs/dbraw/zinc/76/91/23/559769123.db2.gz MHOAPQBPUJJLBA-KRWDZBQOSA-N 1 2 364.446 2.014 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000428063611 559769124 /nfs/dbraw/zinc/76/91/24/559769124.db2.gz MHOAPQBPUJJLBA-KRWDZBQOSA-N 1 2 364.446 2.014 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429016167 559788608 /nfs/dbraw/zinc/78/86/08/559788608.db2.gz AUHSQVRTJQQJNO-NSHDSACASA-N 1 2 373.182 2.053 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000430206704 559815404 /nfs/dbraw/zinc/81/54/04/559815404.db2.gz XUBIGPZLYCWCKQ-HOCLYGCPSA-N 1 2 356.444 2.391 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000430206704 559815405 /nfs/dbraw/zinc/81/54/05/559815405.db2.gz XUBIGPZLYCWCKQ-HOCLYGCPSA-N 1 2 356.444 2.391 20 5 FEBDLO CCc1ccc(C(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000433106915 559872049 /nfs/dbraw/zinc/87/20/49/559872049.db2.gz UIBDDNPMHVUYMX-MRXNPFEDSA-N 1 2 357.414 2.399 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000435060596 559915494 /nfs/dbraw/zinc/91/54/94/559915494.db2.gz ZMCRASUOBZNKDF-LBPRGKRZSA-N 1 2 359.373 2.349 20 5 FEBDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000442811445 560057844 /nfs/dbraw/zinc/05/78/44/560057844.db2.gz CHCWYPUDVBJGBQ-MRXNPFEDSA-N 1 2 369.443 2.192 20 5 FEBDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000442819647 560058337 /nfs/dbraw/zinc/05/83/37/560058337.db2.gz QKVZSWVMXLNDJZ-INIZCTEOSA-N 1 2 369.443 2.192 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000446064292 560138925 /nfs/dbraw/zinc/13/89/25/560138925.db2.gz XYXWHBRTVZIELA-NHYWBVRUSA-N 1 2 351.403 2.023 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000446064292 560138926 /nfs/dbraw/zinc/13/89/26/560138926.db2.gz XYXWHBRTVZIELA-NHYWBVRUSA-N 1 2 351.403 2.023 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H](n2cccn2)C1 ZINC000448870533 560203990 /nfs/dbraw/zinc/20/39/90/560203990.db2.gz QSZVSXKUNZVKBR-HNNXBMFYSA-N 1 2 366.381 2.454 20 5 FEBDLO COc1ccc(C[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1[N+](=O)[O-] ZINC000449557229 560233357 /nfs/dbraw/zinc/23/33/57/560233357.db2.gz VEPCLKXJZHLDDT-INIZCTEOSA-N 1 2 354.428 2.004 20 5 FEBDLO COc1ccc(C[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1[N+](=O)[O-] ZINC000449557229 560233358 /nfs/dbraw/zinc/23/33/58/560233358.db2.gz VEPCLKXJZHLDDT-INIZCTEOSA-N 1 2 354.428 2.004 20 5 FEBDLO CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H]2CCO[C@@H]21 ZINC000449928126 560245577 /nfs/dbraw/zinc/24/55/77/560245577.db2.gz PQMYRMNAUDHNPO-MAZHCROVSA-N 1 2 356.382 2.324 20 5 FEBDLO O=C(NCC1(CCO)CCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450117244 560251106 /nfs/dbraw/zinc/25/11/06/560251106.db2.gz JENFJZXUXPGNKE-UHFFFAOYSA-N 1 2 358.398 2.453 20 5 FEBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCC(CO)CC1 ZINC000450162204 560252581 /nfs/dbraw/zinc/25/25/81/560252581.db2.gz ZLNVBKNDJDWYQR-UHFFFAOYSA-N 1 2 358.398 2.404 20 5 FEBDLO COC(=O)CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCCC1 ZINC000450174766 560252904 /nfs/dbraw/zinc/25/29/04/560252904.db2.gz NJONSUMHYDYVAI-UHFFFAOYSA-N 1 2 372.381 2.338 20 5 FEBDLO CCOC(=O)CC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450283635 560256955 /nfs/dbraw/zinc/25/69/55/560256955.db2.gz ASEDATNXWUOSPI-GFCCVEGCSA-N 1 2 360.370 2.242 20 5 FEBDLO O=[N+]([O-])c1cccc2c1ccnc2Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000450318395 560258425 /nfs/dbraw/zinc/25/84/25/560258425.db2.gz VZYFAJJMZABQGM-UHFFFAOYSA-N 1 2 368.397 2.415 20 5 FEBDLO Cc1nc(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)ncc1[N+](=O)[O-] ZINC000450463082 560263050 /nfs/dbraw/zinc/26/30/50/560263050.db2.gz MAEVKHGWQFDUAY-RYUDHWBXSA-N 1 2 351.407 2.779 20 5 FEBDLO Cc1nc(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)ncc1[N+](=O)[O-] ZINC000450463082 560263051 /nfs/dbraw/zinc/26/30/51/560263051.db2.gz MAEVKHGWQFDUAY-RYUDHWBXSA-N 1 2 351.407 2.779 20 5 FEBDLO CN(C(=O)C[NH2+]C(C)(C)c1nnc2n1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000451407771 560305027 /nfs/dbraw/zinc/30/50/27/560305027.db2.gz XWKSJPCPKOOOLP-UHFFFAOYSA-N 1 2 372.429 2.010 20 5 FEBDLO COC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC(C)(C)O1 ZINC000451572626 560315514 /nfs/dbraw/zinc/31/55/14/560315514.db2.gz SFPPUVYUQZZCRF-AWEZNQCLSA-N 1 2 374.397 2.047 20 5 FEBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)cc1OC ZINC000451753233 560326613 /nfs/dbraw/zinc/32/66/13/560326613.db2.gz AMGDIBRFQDVTDY-WBHUJUFNSA-N 1 2 368.430 2.220 20 5 FEBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@@H](O)[C@H](OC)C2)cc1OC ZINC000451753233 560326614 /nfs/dbraw/zinc/32/66/14/560326614.db2.gz AMGDIBRFQDVTDY-WBHUJUFNSA-N 1 2 368.430 2.220 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000451936328 560339144 /nfs/dbraw/zinc/33/91/44/560339144.db2.gz FGILCVHOKIEAAT-GXFFZTMASA-N 1 2 350.400 2.338 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1C ZINC000451948067 560340003 /nfs/dbraw/zinc/34/00/03/560340003.db2.gz SCDBLZVRZVCRJN-ZWNOBZJWSA-N 1 2 350.400 2.392 20 5 FEBDLO COc1cc2c(cc1C[NH+]1CCN(c3ncccc3[N+](=O)[O-])CC1)OCO2 ZINC000453576742 560389269 /nfs/dbraw/zinc/38/92/69/560389269.db2.gz NBYCBBJNANRNAJ-UHFFFAOYSA-N 1 2 372.381 2.049 20 5 FEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000455440956 560482317 /nfs/dbraw/zinc/48/23/17/560482317.db2.gz ALKWFRIQSYVDMX-CQSZACIVSA-N 1 2 372.429 2.404 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456195415 560510578 /nfs/dbraw/zinc/51/05/78/560510578.db2.gz BHMUADOCNZAHRB-BETUJISGSA-N 1 2 353.806 2.150 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456195415 560510579 /nfs/dbraw/zinc/51/05/79/560510579.db2.gz BHMUADOCNZAHRB-BETUJISGSA-N 1 2 353.806 2.150 20 5 FEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000456358571 560517240 /nfs/dbraw/zinc/51/72/40/560517240.db2.gz QKKROZHMCHHHBM-LLVKDONJSA-N 1 2 360.370 2.002 20 5 FEBDLO CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000456420452 560520141 /nfs/dbraw/zinc/52/01/41/560520141.db2.gz MZXMSXDAJRUVFM-KGLIPLIRSA-N 1 2 372.381 2.242 20 5 FEBDLO CC(C)(C)c1nnc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[nH]1 ZINC000458029463 560600129 /nfs/dbraw/zinc/60/01/29/560600129.db2.gz VHBYIWOMABCLNG-UHFFFAOYSA-N 1 2 369.385 2.126 20 5 FEBDLO CC[C@@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc([N+](=O)[O-])c1 ZINC000458494526 560627073 /nfs/dbraw/zinc/62/70/73/560627073.db2.gz HFCOXNRIECLYLH-IXDOHACOSA-N 1 2 362.430 2.208 20 5 FEBDLO CC[C@@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc([N+](=O)[O-])c1 ZINC000458494526 560627074 /nfs/dbraw/zinc/62/70/74/560627074.db2.gz HFCOXNRIECLYLH-IXDOHACOSA-N 1 2 362.430 2.208 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)c([N+](=O)[O-])c1 ZINC000459666125 560701049 /nfs/dbraw/zinc/70/10/49/560701049.db2.gz GUKZHBSJLSVUAM-CJNGLKHVSA-N 1 2 361.398 2.043 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)c([N+](=O)[O-])c1 ZINC000459666125 560701050 /nfs/dbraw/zinc/70/10/50/560701050.db2.gz GUKZHBSJLSVUAM-CJNGLKHVSA-N 1 2 361.398 2.043 20 5 FEBDLO CCOC[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000459698570 560702883 /nfs/dbraw/zinc/70/28/83/560702883.db2.gz CGVBCJGDNQDHJH-OAHLLOKOSA-N 1 2 356.444 2.260 20 5 FEBDLO CCOC[C@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000459698570 560702885 /nfs/dbraw/zinc/70/28/85/560702885.db2.gz CGVBCJGDNQDHJH-OAHLLOKOSA-N 1 2 356.444 2.260 20 5 FEBDLO Cc1cc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461720318 560780350 /nfs/dbraw/zinc/78/03/50/560780350.db2.gz UCVVQVYVLUBGKN-UHFFFAOYSA-N 1 2 364.421 2.177 20 5 FEBDLO Cc1cc(N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c(F)cc1[N+](=O)[O-] ZINC000461971267 560790261 /nfs/dbraw/zinc/79/02/61/560790261.db2.gz XOUVPICXQJAOTO-CYBMUJFWSA-N 1 2 361.377 2.379 20 5 FEBDLO COc1ccc(N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nc1 ZINC000464693998 560848565 /nfs/dbraw/zinc/84/85/65/560848565.db2.gz UWVVEDSRYIJUCM-UHFFFAOYSA-N 1 2 353.338 2.461 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000469062614 560946198 /nfs/dbraw/zinc/94/61/98/560946198.db2.gz ZFMFXLFXXSCEQU-OLZOCXBDSA-N 1 2 353.394 2.017 20 5 FEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000470458955 560982847 /nfs/dbraw/zinc/98/28/47/560982847.db2.gz MKXKLJWKGFLGJD-WMZOPIPTSA-N 1 2 363.458 2.391 20 5 FEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000470458955 560982848 /nfs/dbraw/zinc/98/28/48/560982848.db2.gz MKXKLJWKGFLGJD-WMZOPIPTSA-N 1 2 363.458 2.391 20 5 FEBDLO CCN1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1c1ncc[nH]1 ZINC000471066050 560997435 /nfs/dbraw/zinc/99/74/35/560997435.db2.gz LVEVKDIHKFXDEE-INIZCTEOSA-N 1 2 373.413 2.063 20 5 FEBDLO CCN1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1c1ncc[nH]1 ZINC000471066050 560997436 /nfs/dbraw/zinc/99/74/36/560997436.db2.gz LVEVKDIHKFXDEE-INIZCTEOSA-N 1 2 373.413 2.063 20 5 FEBDLO COC(=O)COc1ccc(C[NH2+]Cc2nc(C)cs2)cc1[N+](=O)[O-] ZINC000474361233 561072155 /nfs/dbraw/zinc/07/21/55/561072155.db2.gz HXBUECLFLBDADB-UHFFFAOYSA-N 1 2 351.384 2.201 20 5 FEBDLO O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000530289330 562405603 /nfs/dbraw/zinc/40/56/03/562405603.db2.gz LCYXTORFCCICSH-SFHVURJKSA-N 1 2 359.426 2.123 20 5 FEBDLO O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000530289330 562405604 /nfs/dbraw/zinc/40/56/04/562405604.db2.gz LCYXTORFCCICSH-SFHVURJKSA-N 1 2 359.426 2.123 20 5 FEBDLO O=C1C[C@H]([N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C(=O)N1Cc1ccccc1 ZINC000530787972 562423945 /nfs/dbraw/zinc/42/39/45/562423945.db2.gz WWRHOHQNTBAGQN-SFHVURJKSA-N 1 2 365.389 2.281 20 5 FEBDLO O=C1C[C@H]([N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C(=O)N1Cc1ccccc1 ZINC000530787972 562423946 /nfs/dbraw/zinc/42/39/46/562423946.db2.gz WWRHOHQNTBAGQN-SFHVURJKSA-N 1 2 365.389 2.281 20 5 FEBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000532397753 562476548 /nfs/dbraw/zinc/47/65/48/562476548.db2.gz KNFXGNGTZLVPRQ-OAHLLOKOSA-N 1 2 355.329 2.382 20 5 FEBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H](C)S1 ZINC000533291027 562504062 /nfs/dbraw/zinc/50/40/62/562504062.db2.gz SZFAYRKXJWWXNI-AOOOYVTPSA-N 1 2 353.400 2.088 20 5 FEBDLO C[C@@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H](C)S1 ZINC000533291027 562504063 /nfs/dbraw/zinc/50/40/63/562504063.db2.gz SZFAYRKXJWWXNI-AOOOYVTPSA-N 1 2 353.400 2.088 20 5 FEBDLO COc1cc(CCNC(=O)Nc2cc(C)[nH+]cc2C)c([N+](=O)[O-])cc1OC ZINC000534323792 562531707 /nfs/dbraw/zinc/53/17/07/562531707.db2.gz UDYQCWGHXCNOSJ-UHFFFAOYSA-N 1 2 374.397 2.410 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc4c3OCCCO4)CC2)cn1 ZINC000535072324 562550410 /nfs/dbraw/zinc/55/04/10/562550410.db2.gz KCGUITLAHIWFDH-UHFFFAOYSA-N 1 2 370.409 2.473 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000535312124 562555653 /nfs/dbraw/zinc/55/56/53/562555653.db2.gz CDWWTBPWKLVHGL-STQMWFEESA-N 1 2 373.413 2.153 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000535312124 562555654 /nfs/dbraw/zinc/55/56/54/562555654.db2.gz CDWWTBPWKLVHGL-STQMWFEESA-N 1 2 373.413 2.153 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535312124 562555655 /nfs/dbraw/zinc/55/56/55/562555655.db2.gz CDWWTBPWKLVHGL-STQMWFEESA-N 1 2 373.413 2.153 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000541820701 562620447 /nfs/dbraw/zinc/62/04/47/562620447.db2.gz JLJYUGVEGZATHZ-UHFFFAOYSA-N 1 2 374.422 2.380 20 5 FEBDLO Cc1nn(C)c(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000568776886 568205451 /nfs/dbraw/zinc/20/54/51/568205451.db2.gz PBWAJCWGAKBIOU-JOCQHMNTSA-N 1 2 358.402 2.185 20 5 FEBDLO CCc1[nH+]c2ccccc2n1Cc1noc(-c2cc([N+](=O)[O-])nn2C)n1 ZINC000570602832 568490279 /nfs/dbraw/zinc/49/02/79/568490279.db2.gz HHYRIQUZXOAXIN-UHFFFAOYSA-N 1 2 353.342 2.339 20 5 FEBDLO Cc1cccn2cc(CCNc3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)[nH+]c12 ZINC000822366550 606139316 /nfs/dbraw/zinc/13/93/16/606139316.db2.gz MSJAIWZPEWYWSL-UHFFFAOYSA-N 1 2 364.369 2.386 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)cc1 ZINC000826498898 608499046 /nfs/dbraw/zinc/49/90/46/608499046.db2.gz NPWJDCNELDQEJL-UHFFFAOYSA-N 1 2 371.426 2.159 20 5 FEBDLO CS[C@H](CO)[C@H](C)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000560527712 674597917 /nfs/dbraw/zinc/59/79/17/674597917.db2.gz NXFWBLZQDKDRHB-GLQYFDAESA-N 1 2 350.444 2.120 20 5 FEBDLO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000815028499 674901788 /nfs/dbraw/zinc/90/17/88/674901788.db2.gz CVPNZIYJLQWBII-BDAKNGLRSA-N 1 2 365.814 2.100 20 5 FEBDLO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000815028499 674901791 /nfs/dbraw/zinc/90/17/91/674901791.db2.gz CVPNZIYJLQWBII-BDAKNGLRSA-N 1 2 365.814 2.100 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3c(F)cccc3Cl)C[C@@H]2C1 ZINC001048812107 675015499 /nfs/dbraw/zinc/01/54/99/675015499.db2.gz AGYMONFAVBSIDB-AZKPJATDSA-N 1 2 367.808 2.035 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3c(F)cccc3Cl)C[C@@H]2C1 ZINC001048812107 675015501 /nfs/dbraw/zinc/01/55/01/675015501.db2.gz AGYMONFAVBSIDB-AZKPJATDSA-N 1 2 367.808 2.035 20 5 FEBDLO Cc1nn(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000112694959 670875420 /nfs/dbraw/zinc/87/54/20/670875420.db2.gz ALRMQXBAEALBJW-AWEZNQCLSA-N 1 2 351.451 2.240 20 5 FEBDLO Cc1nn(C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000112694959 670875426 /nfs/dbraw/zinc/87/54/26/670875426.db2.gz ALRMQXBAEALBJW-AWEZNQCLSA-N 1 2 351.451 2.240 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609134772 675911415 /nfs/dbraw/zinc/91/14/15/675911415.db2.gz UANSBYNLOOMCJK-CYBMUJFWSA-N 1 2 350.400 2.126 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000609598328 675928466 /nfs/dbraw/zinc/92/84/66/675928466.db2.gz JGQDZZVEABOBMX-UHFFFAOYSA-N 1 2 353.444 2.016 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000580488513 671811601 /nfs/dbraw/zinc/81/16/01/671811601.db2.gz TZRHLIOVXCOMNS-STQMWFEESA-N 1 2 350.419 2.388 20 5 FEBDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121220478 671945131 /nfs/dbraw/zinc/94/51/31/671945131.db2.gz BZHKIRKBBOTJBB-CYBMUJFWSA-N 1 2 364.427 2.191 20 5 FEBDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121220478 671945134 /nfs/dbraw/zinc/94/51/34/671945134.db2.gz BZHKIRKBBOTJBB-CYBMUJFWSA-N 1 2 364.427 2.191 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)NCCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000582097448 671967263 /nfs/dbraw/zinc/96/72/63/671967263.db2.gz ZVABFQZDTUXFRL-UHFFFAOYSA-N 1 2 352.416 2.167 20 5 FEBDLO Cc1c(Br)c(SC[C@H]2C[N@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000583319620 672084174 /nfs/dbraw/zinc/08/41/74/672084174.db2.gz YXSOOCSQZNEHLC-SECBINFHSA-N 1 2 362.249 2.483 20 5 FEBDLO Cc1c(Br)c(SC[C@H]2C[N@@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000583319620 672084176 /nfs/dbraw/zinc/08/41/76/672084176.db2.gz YXSOOCSQZNEHLC-SECBINFHSA-N 1 2 362.249 2.483 20 5 FEBDLO CC(=O)N1CC[NH+](CCNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000589106152 672506220 /nfs/dbraw/zinc/50/62/20/672506220.db2.gz DOSAQRZANYFBCB-UHFFFAOYSA-N 1 2 360.336 2.190 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H]1O ZINC000589258069 672517678 /nfs/dbraw/zinc/51/76/78/672517678.db2.gz WCYIUJSVBPLYRJ-PELKAZGASA-N 1 2 362.167 2.012 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H]1O ZINC000589258069 672517681 /nfs/dbraw/zinc/51/76/81/672517681.db2.gz WCYIUJSVBPLYRJ-PELKAZGASA-N 1 2 362.167 2.012 20 5 FEBDLO CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000591842801 672715852 /nfs/dbraw/zinc/71/58/52/672715852.db2.gz DWRJFJNUAIHGOA-UHFFFAOYSA-N 1 2 356.220 2.458 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594603382 673105474 /nfs/dbraw/zinc/10/54/74/673105474.db2.gz UTIALVWJDNLLLN-ZFWWWQNUSA-N 1 2 353.444 2.427 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594603382 673105476 /nfs/dbraw/zinc/10/54/76/673105476.db2.gz UTIALVWJDNLLLN-ZFWWWQNUSA-N 1 2 353.444 2.427 20 5 FEBDLO O=C1CC[C@H]2C[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595728206 673286393 /nfs/dbraw/zinc/28/63/93/673286393.db2.gz LRVHMZRNOYBPCV-GWCFXTLKSA-N 1 2 368.231 2.458 20 5 FEBDLO O=C1CC[C@H]2C[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595728206 673286396 /nfs/dbraw/zinc/28/63/96/673286396.db2.gz LRVHMZRNOYBPCV-GWCFXTLKSA-N 1 2 368.231 2.458 20 5 FEBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598948084 673624479 /nfs/dbraw/zinc/62/44/79/673624479.db2.gz OTOFMSBWTQMYPS-CMPLNLGQSA-N 1 2 364.789 2.343 20 5 FEBDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000544655800 673723833 /nfs/dbraw/zinc/72/38/33/673723833.db2.gz HECDVQGEJFZICS-UHFFFAOYSA-N 1 2 365.411 2.448 20 5 FEBDLO CC(C)[C@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[NH+]1CCOCC1 ZINC000601101575 673826224 /nfs/dbraw/zinc/82/62/24/673826224.db2.gz OUNWVOXZDYZTCE-JTQLQIEISA-N 1 2 365.356 2.116 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(F)cc1[N+](=O)[O-] ZINC000601336707 673844387 /nfs/dbraw/zinc/84/43/87/673844387.db2.gz JEWSTYHSCGKFIK-GFCCVEGCSA-N 1 2 368.390 2.265 20 5 FEBDLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602683880 673909632 /nfs/dbraw/zinc/90/96/32/673909632.db2.gz WVHDTQGDIIJHCN-KWQFWETISA-N 1 2 365.249 2.391 20 5 FEBDLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602683880 673909635 /nfs/dbraw/zinc/90/96/35/673909635.db2.gz WVHDTQGDIIJHCN-KWQFWETISA-N 1 2 365.249 2.391 20 5 FEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000602758441 673910909 /nfs/dbraw/zinc/91/09/09/673910909.db2.gz LMMXIZIKXMNDEI-GFCCVEGCSA-N 1 2 366.443 2.196 20 5 FEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000602758441 673910910 /nfs/dbraw/zinc/91/09/10/673910910.db2.gz LMMXIZIKXMNDEI-GFCCVEGCSA-N 1 2 366.443 2.196 20 5 FEBDLO CC(C)[C@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000819904605 675321948 /nfs/dbraw/zinc/32/19/48/675321948.db2.gz AWMOVCXSQXDWGZ-XHBSWPGZSA-N 1 2 350.419 2.249 20 5 FEBDLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1Br ZINC000842045712 680923246 /nfs/dbraw/zinc/92/32/46/680923246.db2.gz HAPVKNNNARRVGZ-WDEREUQCSA-N 1 2 358.236 2.249 20 5 FEBDLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1Br ZINC000842045712 680923245 /nfs/dbraw/zinc/92/32/45/680923245.db2.gz HAPVKNNNARRVGZ-WDEREUQCSA-N 1 2 358.236 2.249 20 5 FEBDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3Br)C[C@@H]21 ZINC000839606783 680765979 /nfs/dbraw/zinc/76/59/79/680765979.db2.gz RPGHMVDNDJBXHQ-IAZYJMLFSA-N 1 2 355.188 2.208 20 5 FEBDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3Br)C[C@@H]21 ZINC000839606783 680765980 /nfs/dbraw/zinc/76/59/80/680765980.db2.gz RPGHMVDNDJBXHQ-IAZYJMLFSA-N 1 2 355.188 2.208 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](Cc1ccc(Cl)s1)C2 ZINC000981763064 680250658 /nfs/dbraw/zinc/25/06/58/680250658.db2.gz DEHNSAYHLOCDPN-CHWSQXEVSA-N 1 2 369.874 2.491 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](Cc1ccc(Cl)s1)C2 ZINC000981763064 680250659 /nfs/dbraw/zinc/25/06/59/680250659.db2.gz DEHNSAYHLOCDPN-CHWSQXEVSA-N 1 2 369.874 2.491 20 5 FEBDLO O=C(NCC1=CC[N@H+](Cc2ccc(Cl)cc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000670575 680436935 /nfs/dbraw/zinc/43/69/35/680436935.db2.gz QJNNFGIUODTAFM-GDBMZVCRSA-N 1 2 367.808 2.393 20 5 FEBDLO O=C(NCC1=CC[N@@H+](Cc2ccc(Cl)cc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000670575 680436939 /nfs/dbraw/zinc/43/69/39/680436939.db2.gz QJNNFGIUODTAFM-GDBMZVCRSA-N 1 2 367.808 2.393 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Cl ZINC000836229675 680438253 /nfs/dbraw/zinc/43/82/53/680438253.db2.gz HMKVGYRUXBUHNE-ZDUSSCGKSA-N 1 2 367.833 2.493 20 5 FEBDLO CCCc1nc(C[N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC000985426546 680446754 /nfs/dbraw/zinc/44/67/54/680446754.db2.gz SDUMUUMWOOIPEJ-HUUCEWRRSA-N 1 2 366.487 2.184 20 5 FEBDLO CCCc1nc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC000985426546 680446756 /nfs/dbraw/zinc/44/67/56/680446756.db2.gz SDUMUUMWOOIPEJ-HUUCEWRRSA-N 1 2 366.487 2.184 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc1Cl ZINC000836634369 680492844 /nfs/dbraw/zinc/49/28/44/680492844.db2.gz MMLPIFYEHXIYNR-NWDGAFQWSA-N 1 2 355.822 2.396 20 5 FEBDLO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2c(F)cccc2F)CC1 ZINC001045436395 680629315 /nfs/dbraw/zinc/62/93/15/680629315.db2.gz QQASUFAJTQUOPH-IAQYHMDHSA-N 1 2 353.369 2.101 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)CC1(C)C ZINC000766858751 680890595 /nfs/dbraw/zinc/89/05/95/680890595.db2.gz HBZJROOTLFMIMU-UHFFFAOYSA-N 1 2 361.851 2.271 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)CC1(C)C ZINC000766858751 680890597 /nfs/dbraw/zinc/89/05/97/680890597.db2.gz HBZJROOTLFMIMU-UHFFFAOYSA-N 1 2 361.851 2.271 20 5 FEBDLO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000845731150 681149162 /nfs/dbraw/zinc/14/91/62/681149162.db2.gz RWRUKVFYSFTAQF-NSHDSACASA-N 1 2 370.427 2.028 20 5 FEBDLO CC(C)(C)[N@H+]1CC[C@H]1COC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000845731150 681149164 /nfs/dbraw/zinc/14/91/64/681149164.db2.gz RWRUKVFYSFTAQF-NSHDSACASA-N 1 2 370.427 2.028 20 5 FEBDLO C[C@H](CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847181460 681341442 /nfs/dbraw/zinc/34/14/42/681341442.db2.gz JHJKYNVHAUSYLK-MXWKQRLJSA-N 1 2 357.357 2.101 20 5 FEBDLO C[C@H](CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847181460 681341446 /nfs/dbraw/zinc/34/14/46/681341446.db2.gz JHJKYNVHAUSYLK-MXWKQRLJSA-N 1 2 357.357 2.101 20 5 FEBDLO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000776606777 681415403 /nfs/dbraw/zinc/41/54/03/681415403.db2.gz NONXYYJVNZOYTP-OLZOCXBDSA-N 1 2 353.423 2.121 20 5 FEBDLO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000776606777 681415407 /nfs/dbraw/zinc/41/54/07/681415407.db2.gz NONXYYJVNZOYTP-OLZOCXBDSA-N 1 2 353.423 2.121 20 5 FEBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848292689 681509011 /nfs/dbraw/zinc/50/90/11/681509011.db2.gz OZFDLNIKWBELQY-SDDRHHMPSA-N 1 2 353.394 2.270 20 5 FEBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848292689 681509014 /nfs/dbraw/zinc/50/90/14/681509014.db2.gz OZFDLNIKWBELQY-SDDRHHMPSA-N 1 2 353.394 2.270 20 5 FEBDLO C[C@@H]1CSCCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000934306281 681549398 /nfs/dbraw/zinc/54/93/98/681549398.db2.gz XIOCLIVHPKMLFG-SNVBAGLBSA-N 1 2 353.400 2.089 20 5 FEBDLO C[C@@H]1CSCCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000934306281 681549401 /nfs/dbraw/zinc/54/94/01/681549401.db2.gz XIOCLIVHPKMLFG-SNVBAGLBSA-N 1 2 353.400 2.089 20 5 FEBDLO C/C(=C/C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000913385436 685476103 /nfs/dbraw/zinc/47/61/03/685476103.db2.gz AUPFMQKMHHLANT-WDZFZDKYSA-N 1 2 371.796 2.282 20 5 FEBDLO COCCO[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000780490680 681832781 /nfs/dbraw/zinc/83/27/81/681832781.db2.gz YAZDXXGHSQISFG-ZDUSSCGKSA-N 1 2 354.794 2.293 20 5 FEBDLO COCCO[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000780490680 681832786 /nfs/dbraw/zinc/83/27/86/681832786.db2.gz YAZDXXGHSQISFG-ZDUSSCGKSA-N 1 2 354.794 2.293 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1C ZINC000787328699 682450887 /nfs/dbraw/zinc/45/08/87/682450887.db2.gz SYKHAFCJSWFZBP-JFGNBEQYSA-N 1 2 369.805 2.459 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1C ZINC000787328699 682450888 /nfs/dbraw/zinc/45/08/88/682450888.db2.gz SYKHAFCJSWFZBP-JFGNBEQYSA-N 1 2 369.805 2.459 20 5 FEBDLO O=C(CC[NH+]1CCN(CCCF)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000860008153 683186712 /nfs/dbraw/zinc/18/67/12/683186712.db2.gz PBAXECLZEBDZOP-UHFFFAOYSA-N 1 2 356.373 2.040 20 5 FEBDLO COc1ccc(C(=O)NCc2nc(C[NH+](C)C)cs2)cc1[N+](=O)[O-] ZINC000927774456 683310789 /nfs/dbraw/zinc/31/07/89/683310789.db2.gz LQMFGFADAWXVSQ-UHFFFAOYSA-N 1 2 350.400 2.052 20 5 FEBDLO CO[C@@H]1C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])[C@@](C)(CO)C1 ZINC000931471551 684287637 /nfs/dbraw/zinc/28/76/37/684287637.db2.gz SFXAHKOVZFNHJZ-IINYFYTJSA-N 1 2 359.220 2.329 20 5 FEBDLO CO[C@@H]1C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])[C@@](C)(CO)C1 ZINC000931471551 684287638 /nfs/dbraw/zinc/28/76/38/684287638.db2.gz SFXAHKOVZFNHJZ-IINYFYTJSA-N 1 2 359.220 2.329 20 5 FEBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000875459191 686016630 /nfs/dbraw/zinc/01/66/30/686016630.db2.gz SOWFDMGAUXDSSO-KBPBESRZSA-N 1 2 350.419 2.066 20 5 FEBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000875459191 686016635 /nfs/dbraw/zinc/01/66/35/686016635.db2.gz SOWFDMGAUXDSSO-KBPBESRZSA-N 1 2 350.419 2.066 20 5 FEBDLO CCOC(=O)[C@H](C)C1C[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000877829654 686472403 /nfs/dbraw/zinc/47/24/03/686472403.db2.gz ZFTFMLSDKHYWND-LLVKDONJSA-N 1 2 352.387 2.243 20 5 FEBDLO COc1c(O)ccc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC000892003795 689138108 /nfs/dbraw/zinc/13/81/08/689138108.db2.gz FBKVIZUMFHZCTB-ZANVPECISA-N 1 2 350.293 2.197 20 5 FEBDLO COc1c(O)ccc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC000892003795 689138109 /nfs/dbraw/zinc/13/81/09/689138109.db2.gz FBKVIZUMFHZCTB-ZANVPECISA-N 1 2 350.293 2.197 20 5 FEBDLO COc1c(O)ccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC000892003792 689138240 /nfs/dbraw/zinc/13/82/40/689138240.db2.gz FBKVIZUMFHZCTB-NOZJJQNGSA-N 1 2 350.293 2.197 20 5 FEBDLO COc1c(O)ccc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC000892003792 689138243 /nfs/dbraw/zinc/13/82/43/689138243.db2.gz FBKVIZUMFHZCTB-NOZJJQNGSA-N 1 2 350.293 2.197 20 5 FEBDLO O=[N+]([O-])c1cnc(N2CC[NH+](CCCCCO)CC2)c(Br)c1 ZINC000894964326 689630989 /nfs/dbraw/zinc/63/09/89/689630989.db2.gz OGGWVYSKROCYOA-UHFFFAOYSA-N 1 2 373.251 2.037 20 5 FEBDLO O=[N+]([O-])c1ccc(Nc2ccn(CC[NH+]3CCOCC3)n2)c2ccncc21 ZINC000520200796 819255309 /nfs/dbraw/zinc/25/53/09/819255309.db2.gz WCQICKVOPSKBQA-UHFFFAOYSA-N 1 2 368.397 2.415 20 5 FEBDLO O=[N+]([O-])c1ccc(NC[C@H]2C[NH+]3CCN2CC3)nc1-c1ccc(F)cc1 ZINC000485408413 852162961 /nfs/dbraw/zinc/16/29/61/852162961.db2.gz QGTQBOBENZEINU-HNNXBMFYSA-N 1 2 357.389 2.208 20 5 FEBDLO COCC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccco1 ZINC000026448605 539786687 /nfs/dbraw/zinc/78/66/87/539786687.db2.gz XGOSDPKPCYLEAS-UHFFFAOYSA-N 1 2 363.370 2.284 20 5 FEBDLO COCC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccco1 ZINC000026448605 539786694 /nfs/dbraw/zinc/78/66/94/539786694.db2.gz XGOSDPKPCYLEAS-UHFFFAOYSA-N 1 2 363.370 2.284 20 5 FEBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000029553529 539856881 /nfs/dbraw/zinc/85/68/81/539856881.db2.gz YCLAHRMGDSXLSR-UHFFFAOYSA-N 1 2 371.353 2.428 20 5 FEBDLO O=[N+]([O-])c1ccc(NC[C@]2([NH+]3CCOCC3)CCSC2)c([N+](=O)[O-])c1 ZINC000029625797 539859375 /nfs/dbraw/zinc/85/93/75/539859375.db2.gz NMCUPWRPBXUJBA-OAHLLOKOSA-N 1 2 368.415 2.123 20 5 FEBDLO NC(=O)c1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1F ZINC000032169809 539930836 /nfs/dbraw/zinc/93/08/36/539930836.db2.gz HBWOGTLCQRYDHL-UHFFFAOYSA-N 1 2 369.312 2.271 20 5 FEBDLO CCOC(=O)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000032486317 539941246 /nfs/dbraw/zinc/94/12/46/539941246.db2.gz CJTWCRNARGBBAE-UHFFFAOYSA-N 1 2 372.381 2.196 20 5 FEBDLO COc1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])cc1OC(F)F ZINC000042535585 540065619 /nfs/dbraw/zinc/06/56/19/540065619.db2.gz QBVHRGDOASAJBI-VIFPVBQESA-N 1 2 370.312 2.220 20 5 FEBDLO CCN1CC[NH+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)CC1 ZINC000046939450 540277478 /nfs/dbraw/zinc/27/74/78/540277478.db2.gz JTFOJERLVWUEMF-UHFFFAOYSA-N 1 2 357.414 2.313 20 5 FEBDLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000054762848 540607783 /nfs/dbraw/zinc/60/77/83/540607783.db2.gz MPYOOMDWQWJYCU-UHFFFAOYSA-N 1 2 372.400 2.286 20 5 FEBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000055214427 540636117 /nfs/dbraw/zinc/63/61/17/540636117.db2.gz UTEVKHUTSAVQMX-CYBMUJFWSA-N 1 2 373.431 2.377 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000055268995 540642004 /nfs/dbraw/zinc/64/20/04/540642004.db2.gz HYKVFHOEVUUHRB-UHFFFAOYSA-N 1 2 373.862 2.273 20 5 FEBDLO Nc1c(C(=O)NCC[N@@H+]2CCc3sccc3C2)cc(F)cc1[N+](=O)[O-] ZINC000056166361 540709375 /nfs/dbraw/zinc/70/93/75/540709375.db2.gz VPQAGFAVKTUKRK-UHFFFAOYSA-N 1 2 364.402 2.166 20 5 FEBDLO Nc1c(C(=O)NCC[N@H+]2CCc3sccc3C2)cc(F)cc1[N+](=O)[O-] ZINC000056166361 540709379 /nfs/dbraw/zinc/70/93/79/540709379.db2.gz VPQAGFAVKTUKRK-UHFFFAOYSA-N 1 2 364.402 2.166 20 5 FEBDLO O=C(NCCCCn1cc[nH+]c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000057375355 540792118 /nfs/dbraw/zinc/79/21/18/540792118.db2.gz PKBATWABARRAEZ-UHFFFAOYSA-N 1 2 372.429 2.103 20 5 FEBDLO O=C(c1ccc2[nH+]ccn2c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000057912705 540823164 /nfs/dbraw/zinc/82/31/64/540823164.db2.gz ZQYYZWNMUYMXFT-UHFFFAOYSA-N 1 2 351.366 2.205 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N(C)Cc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000061035460 541125035 /nfs/dbraw/zinc/12/50/35/541125035.db2.gz HBONCWNBEMBFNN-UHFFFAOYSA-N 1 2 358.807 2.111 20 5 FEBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1cccnc1-n1cc[nH+]c1 ZINC000063644092 541176975 /nfs/dbraw/zinc/17/69/75/541176975.db2.gz MRTVEVPGSTVUSD-UHFFFAOYSA-N 1 2 371.328 2.010 20 5 FEBDLO CCN(CC)c1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)c[nH+]1 ZINC000066000621 541277636 /nfs/dbraw/zinc/27/76/36/541277636.db2.gz BJMIZRLKTINVCM-UHFFFAOYSA-N 1 2 370.456 2.376 20 5 FEBDLO Cc1noc(C2CC[NH+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)n1 ZINC000067377754 541451801 /nfs/dbraw/zinc/45/18/01/541451801.db2.gz PAXOJJHHVLZZJV-MRXNPFEDSA-N 1 2 371.397 2.271 20 5 FEBDLO CC(=O)N(C)C1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000068577228 541611704 /nfs/dbraw/zinc/61/17/04/541611704.db2.gz XSXDRBVEKBPOKL-UHFFFAOYSA-N 1 2 368.821 2.129 20 5 FEBDLO Cc1ccc(N2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000080542899 542594286 /nfs/dbraw/zinc/59/42/86/542594286.db2.gz GZILORYQDHMZPM-SFHVURJKSA-N 1 2 354.410 2.252 20 5 FEBDLO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000101553639 543031709 /nfs/dbraw/zinc/03/17/09/543031709.db2.gz YSWGGLFDAKNYCR-OAHLLOKOSA-N 1 2 363.414 2.198 20 5 FEBDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000101553639 543031713 /nfs/dbraw/zinc/03/17/13/543031713.db2.gz YSWGGLFDAKNYCR-OAHLLOKOSA-N 1 2 363.414 2.198 20 5 FEBDLO C[C@@H](NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000105159671 543162174 /nfs/dbraw/zinc/16/21/74/543162174.db2.gz LLELEKGDFAELIM-BFHYXJOUSA-N 1 2 350.419 2.064 20 5 FEBDLO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000109095686 543314047 /nfs/dbraw/zinc/31/40/47/543314047.db2.gz OFKPASBEVSDAPF-HNNXBMFYSA-N 1 2 367.369 2.266 20 5 FEBDLO CCS(=O)(=O)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113334963 543484353 /nfs/dbraw/zinc/48/43/53/543484353.db2.gz LFVFULQWGULJNS-UHFFFAOYSA-N 1 2 355.441 2.243 20 5 FEBDLO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000124780772 543842295 /nfs/dbraw/zinc/84/22/95/543842295.db2.gz KYUORHHTIZQSGD-UHFFFAOYSA-N 1 2 371.441 2.032 20 5 FEBDLO Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000124780772 543842300 /nfs/dbraw/zinc/84/23/00/543842300.db2.gz KYUORHHTIZQSGD-UHFFFAOYSA-N 1 2 371.441 2.032 20 5 FEBDLO CC(C)c1ccc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000125125964 543862353 /nfs/dbraw/zinc/86/23/53/543862353.db2.gz IUAKUMNJEDBTAB-UHFFFAOYSA-N 1 2 355.460 2.186 20 5 FEBDLO CC(C)c1ccc(C[N@H+]2CCCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000125125964 543862354 /nfs/dbraw/zinc/86/23/54/543862354.db2.gz IUAKUMNJEDBTAB-UHFFFAOYSA-N 1 2 355.460 2.186 20 5 FEBDLO CN(c1ccccc1)c1ccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000126188472 543922941 /nfs/dbraw/zinc/92/29/41/543922941.db2.gz WRDJRJYIYKFXQU-SFHVURJKSA-N 1 2 370.409 2.049 20 5 FEBDLO CN(c1ccccc1)c1ccc(C[N@H+]2CCO[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000126188472 543922943 /nfs/dbraw/zinc/92/29/43/543922943.db2.gz WRDJRJYIYKFXQU-SFHVURJKSA-N 1 2 370.409 2.049 20 5 FEBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000126559438 543943430 /nfs/dbraw/zinc/94/34/30/543943430.db2.gz ANLWKMOHYSXJII-UHFFFAOYSA-N 1 2 355.398 2.064 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000127549509 544000053 /nfs/dbraw/zinc/00/00/53/544000053.db2.gz ZLVWQBKQCLMPNA-ZIAGYGMSSA-N 1 2 350.419 2.442 20 5 FEBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000130202599 544142767 /nfs/dbraw/zinc/14/27/67/544142767.db2.gz XUUPHWRFXZRRRX-CYBMUJFWSA-N 1 2 363.443 2.148 20 5 FEBDLO O=C(C[NH+]1CCC(OC[C@H]2CCOC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000132080395 544218312 /nfs/dbraw/zinc/21/83/12/544218312.db2.gz VRALXAFOOTYOSP-AWEZNQCLSA-N 1 2 363.414 2.051 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCc3ccccc3[C@H]2CO)c([N+](=O)[O-])c1 ZINC000133835222 544285431 /nfs/dbraw/zinc/28/54/31/544285431.db2.gz DMBOKZXZQIDWPB-GOSISDBHSA-N 1 2 371.393 2.134 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCc3ccccc3[C@H]2CO)c([N+](=O)[O-])c1 ZINC000133835222 544285433 /nfs/dbraw/zinc/28/54/33/544285433.db2.gz DMBOKZXZQIDWPB-GOSISDBHSA-N 1 2 371.393 2.134 20 5 FEBDLO O=C(C[N@@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000135561841 544352981 /nfs/dbraw/zinc/35/29/81/544352981.db2.gz GKQLGKUVBQVGRJ-UONOGXRCSA-N 1 2 371.846 2.393 20 5 FEBDLO O=C(C[N@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000135561841 544352983 /nfs/dbraw/zinc/35/29/83/544352983.db2.gz GKQLGKUVBQVGRJ-UONOGXRCSA-N 1 2 371.846 2.393 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+](C)[C@H]2CCCc3c2cnn3C)c([N+](=O)[O-])c1 ZINC000135585978 544354707 /nfs/dbraw/zinc/35/47/07/544354707.db2.gz CECYCBQONYPSKC-HNNXBMFYSA-N 1 2 373.413 2.285 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c([N+](=O)[O-])c1 ZINC000135585978 544354709 /nfs/dbraw/zinc/35/47/09/544354709.db2.gz CECYCBQONYPSKC-HNNXBMFYSA-N 1 2 373.413 2.285 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135586010 544355074 /nfs/dbraw/zinc/35/50/74/544355074.db2.gz AFKXPKNUUXHILW-OAHLLOKOSA-N 1 2 373.413 2.285 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135586010 544355075 /nfs/dbraw/zinc/35/50/75/544355075.db2.gz AFKXPKNUUXHILW-OAHLLOKOSA-N 1 2 373.413 2.285 20 5 FEBDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000152007580 544605340 /nfs/dbraw/zinc/60/53/40/544605340.db2.gz NXLARSCBQNJOFL-UHFFFAOYSA-N 1 2 371.802 2.485 20 5 FEBDLO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000154563128 544922310 /nfs/dbraw/zinc/92/23/10/544922310.db2.gz UIUMYCIOPYUWJV-LJQANCHMSA-N 1 2 357.410 2.152 20 5 FEBDLO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCN(Cc3cccc(O)c3)CC2)c1 ZINC000154563128 544922312 /nfs/dbraw/zinc/92/23/12/544922312.db2.gz UIUMYCIOPYUWJV-LJQANCHMSA-N 1 2 357.410 2.152 20 5 FEBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000155183184 544999288 /nfs/dbraw/zinc/99/92/88/544999288.db2.gz DVPQCEZRGJFHAW-UHFFFAOYSA-N 1 2 357.370 2.091 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000552900272 674229072 /nfs/dbraw/zinc/22/90/72/674229072.db2.gz AORVWLGFKFUTAX-UHFFFAOYSA-N 1 2 362.411 2.160 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](CC3OCCO3)CC2)c(C(F)(F)F)c1 ZINC000182209190 327765652 /nfs/dbraw/zinc/76/56/52/327765652.db2.gz FBHKPQJNIHWBFB-UHFFFAOYSA-N 1 2 361.320 2.109 20 5 FEBDLO CN(C[C@H]1CCCC[C@@H]1O)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000183382567 327814644 /nfs/dbraw/zinc/81/46/44/327814644.db2.gz DETVWCWYGMJECN-PBHICJAKSA-N 1 2 358.398 2.404 20 5 FEBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000187298210 328014518 /nfs/dbraw/zinc/01/45/18/328014518.db2.gz DIRXTNRVHOPNSW-CYBMUJFWSA-N 1 2 367.471 2.234 20 5 FEBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187298210 328014519 /nfs/dbraw/zinc/01/45/19/328014519.db2.gz DIRXTNRVHOPNSW-CYBMUJFWSA-N 1 2 367.471 2.234 20 5 FEBDLO CC[C@@]1(CO)CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000187640117 328037297 /nfs/dbraw/zinc/03/72/97/328037297.db2.gz OFJZMHYAGIHYCA-QGZVFWFLSA-N 1 2 351.403 2.026 20 5 FEBDLO CC[C@@]1(CO)CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000187640117 328037298 /nfs/dbraw/zinc/03/72/98/328037298.db2.gz OFJZMHYAGIHYCA-QGZVFWFLSA-N 1 2 351.403 2.026 20 5 FEBDLO CCOCCOCC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000190285441 328198272 /nfs/dbraw/zinc/19/82/72/328198272.db2.gz RJGLTUBMKKQOFW-UHFFFAOYSA-N 1 2 359.810 2.172 20 5 FEBDLO CCOCCOCC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000190285441 328198273 /nfs/dbraw/zinc/19/82/73/328198273.db2.gz RJGLTUBMKKQOFW-UHFFFAOYSA-N 1 2 359.810 2.172 20 5 FEBDLO COC(=O)[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000191833702 328284187 /nfs/dbraw/zinc/28/41/87/328284187.db2.gz PFURTZUKCYROPL-FZMZJTMJSA-N 1 2 360.370 2.276 20 5 FEBDLO COC(=O)[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000191833702 328284189 /nfs/dbraw/zinc/28/41/89/328284189.db2.gz PFURTZUKCYROPL-FZMZJTMJSA-N 1 2 360.370 2.276 20 5 FEBDLO COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)[NH+](C)C)c1 ZINC000194739159 328437968 /nfs/dbraw/zinc/43/79/68/328437968.db2.gz AGQHTWBZDHSHBC-MRXNPFEDSA-N 1 2 359.382 2.342 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2ccc(N(C)C)[nH+]c2)c1C ZINC000046812819 324615925 /nfs/dbraw/zinc/61/59/25/324615925.db2.gz PLKAFCRVSAEAOL-UHFFFAOYSA-N 1 2 364.427 2.151 20 5 FEBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000047031870 324624706 /nfs/dbraw/zinc/62/47/06/324624706.db2.gz GIKNSKHUIKPOHC-CQSZACIVSA-N 1 2 365.411 2.303 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H](C2OCCO2)C1 ZINC000110848803 325694060 /nfs/dbraw/zinc/69/40/60/325694060.db2.gz MRRKLYPNYMZQEK-AWEZNQCLSA-N 1 2 372.381 2.006 20 5 FEBDLO CC(C)OCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000118953179 326112207 /nfs/dbraw/zinc/11/22/07/326112207.db2.gz GHUXYIXBBANQRR-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000119290473 326145777 /nfs/dbraw/zinc/14/57/77/326145777.db2.gz AHLSLKCYIGJCIV-LLVKDONJSA-N 1 2 361.377 2.145 20 5 FEBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000120219204 326241391 /nfs/dbraw/zinc/24/13/91/326241391.db2.gz KMEJZYBUDMQVAV-UHFFFAOYSA-N 1 2 357.370 2.011 20 5 FEBDLO O=C(N[C@H]1CCO[C@H](C2CC2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000120801772 326289326 /nfs/dbraw/zinc/28/93/26/326289326.db2.gz WJECEWWVYINKDS-YOEHRIQHSA-N 1 2 356.382 2.468 20 5 FEBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000152523456 326709589 /nfs/dbraw/zinc/70/95/89/326709589.db2.gz DXQVPXFPFLREHK-LLVKDONJSA-N 1 2 360.370 2.241 20 5 FEBDLO CCOc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000152682724 326713904 /nfs/dbraw/zinc/71/39/04/326713904.db2.gz QACWJULLYXRNMN-CQSZACIVSA-N 1 2 356.382 2.397 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000153222091 326727366 /nfs/dbraw/zinc/72/73/66/326727366.db2.gz CJLFEDUMOYYAPM-CQSZACIVSA-N 1 2 374.441 2.399 20 5 FEBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000154975702 326773970 /nfs/dbraw/zinc/77/39/70/326773970.db2.gz OGRNDEUNKOURSR-QGZVFWFLSA-N 1 2 356.382 2.395 20 5 FEBDLO C[C@@H](c1cccnc1)N1C(=O)C[C@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000171755960 327159277 /nfs/dbraw/zinc/15/92/77/327159277.db2.gz AJZFIPHIHQRJLU-GUYCJALGSA-N 1 2 368.393 2.310 20 5 FEBDLO C[C@@H](c1cccnc1)N1C(=O)C[C@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000171755960 327159280 /nfs/dbraw/zinc/15/92/80/327159280.db2.gz AJZFIPHIHQRJLU-GUYCJALGSA-N 1 2 368.393 2.310 20 5 FEBDLO O=C1CN(c2ccc(Nc3ccc4ncccc4c3[N+](=O)[O-])c[nH+]2)CCN1 ZINC000171829939 327164334 /nfs/dbraw/zinc/16/43/34/327164334.db2.gz SYZNABXTZPUJOE-UHFFFAOYSA-N 1 2 364.365 2.218 20 5 FEBDLO CCc1ccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000173449914 327258095 /nfs/dbraw/zinc/25/80/95/327258095.db2.gz PRJOIBLWWQQKCT-KRWDZBQOSA-N 1 2 361.442 2.484 20 5 FEBDLO Cc1nn(C)c(C)c1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000174049971 327303631 /nfs/dbraw/zinc/30/36/31/327303631.db2.gz CVYINHGNORMELU-UHFFFAOYSA-N 1 2 354.370 2.061 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000265606767 329142583 /nfs/dbraw/zinc/14/25/83/329142583.db2.gz KJJUSVLADZMPIJ-FPJCUDJDSA-N 1 2 353.444 2.073 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000265606767 329142585 /nfs/dbraw/zinc/14/25/85/329142585.db2.gz KJJUSVLADZMPIJ-FPJCUDJDSA-N 1 2 353.444 2.073 20 5 FEBDLO COCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000269517916 329527527 /nfs/dbraw/zinc/52/75/27/329527527.db2.gz WODCXMQATKQXPX-UHFFFAOYSA-N 1 2 361.320 2.018 20 5 FEBDLO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272953199 329826175 /nfs/dbraw/zinc/82/61/75/329826175.db2.gz GOCNCEXXJCYFCN-WBMJQRKESA-N 1 2 369.381 2.217 20 5 FEBDLO CCc1nc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000273476968 329867840 /nfs/dbraw/zinc/86/78/40/329867840.db2.gz KOCZBIBCDWSSBX-UHFFFAOYSA-N 1 2 355.441 2.177 20 5 FEBDLO Cc1c(F)cc(S(=O)(=O)NCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000274691193 329971367 /nfs/dbraw/zinc/97/13/67/329971367.db2.gz QPYZGPVBQGPZJK-UHFFFAOYSA-N 1 2 368.390 2.054 20 5 FEBDLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000275238368 330025193 /nfs/dbraw/zinc/02/51/93/330025193.db2.gz WSRQFEOJHSLZGO-DTWKUNHWSA-N 1 2 352.782 2.055 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](C2CCCCC2)CC1 ZINC000276218830 330130229 /nfs/dbraw/zinc/13/02/29/330130229.db2.gz LBFZKJPLLIAZHK-UHFFFAOYSA-N 1 2 367.471 2.453 20 5 FEBDLO CC(C)C(=O)NCC[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000157384274 545735166 /nfs/dbraw/zinc/73/51/66/545735166.db2.gz WOYZACKBWLRIMK-LLVKDONJSA-N 1 2 370.837 2.279 20 5 FEBDLO CC(C)C(=O)NCC[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000157384274 545735170 /nfs/dbraw/zinc/73/51/70/545735170.db2.gz WOYZACKBWLRIMK-LLVKDONJSA-N 1 2 370.837 2.279 20 5 FEBDLO Cc1ccc(CN(CCO)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000478374350 561165458 /nfs/dbraw/zinc/16/54/58/561165458.db2.gz HGMLAPZSEUTNJT-UHFFFAOYSA-N 1 2 370.365 2.317 20 5 FEBDLO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000159306416 545941594 /nfs/dbraw/zinc/94/15/94/545941594.db2.gz AVGVEPILYOVGGT-UHFFFAOYSA-N 1 2 363.805 2.366 20 5 FEBDLO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)n1 ZINC000176211543 546420112 /nfs/dbraw/zinc/42/01/12/546420112.db2.gz VOFOASDSOPHBIP-UHFFFAOYSA-N 1 2 371.228 2.315 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000176752512 546484226 /nfs/dbraw/zinc/48/42/26/546484226.db2.gz RGDSEBGBOXSQDY-GOEBONIOSA-N 1 2 362.430 2.080 20 5 FEBDLO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000176752462 546484468 /nfs/dbraw/zinc/48/44/68/546484468.db2.gz RGDSEBGBOXSQDY-ZBFHGGJFSA-N 1 2 362.430 2.080 20 5 FEBDLO COC(=O)[C@@]1(C)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000177452848 546621746 /nfs/dbraw/zinc/62/17/46/546621746.db2.gz IJPNBIDPKFAHQY-HNNXBMFYSA-N 1 2 355.778 2.072 20 5 FEBDLO COC(=O)[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000177452848 546621750 /nfs/dbraw/zinc/62/17/50/546621750.db2.gz IJPNBIDPKFAHQY-HNNXBMFYSA-N 1 2 355.778 2.072 20 5 FEBDLO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000178800443 546851871 /nfs/dbraw/zinc/85/18/71/546851871.db2.gz HSZJVMXHUCBDMV-VWLOTQADSA-N 1 2 361.423 2.063 20 5 FEBDLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000178800443 546851875 /nfs/dbraw/zinc/85/18/75/546851875.db2.gz HSZJVMXHUCBDMV-VWLOTQADSA-N 1 2 361.423 2.063 20 5 FEBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC(=O)NC1CCCC1 ZINC000179520094 546971207 /nfs/dbraw/zinc/97/12/07/546971207.db2.gz OXVQQXYHJWHGCP-UHFFFAOYSA-N 1 2 360.414 2.328 20 5 FEBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC(=O)NC1CCCC1 ZINC000179520094 546971210 /nfs/dbraw/zinc/97/12/10/546971210.db2.gz OXVQQXYHJWHGCP-UHFFFAOYSA-N 1 2 360.414 2.328 20 5 FEBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])c2)CC1 ZINC000180704700 547161695 /nfs/dbraw/zinc/16/16/95/547161695.db2.gz RKYYFLMGCPPTKC-UHFFFAOYSA-N 1 2 369.425 2.177 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cc1 ZINC000182298227 547469257 /nfs/dbraw/zinc/46/92/57/547469257.db2.gz SFPKQAXABZBODZ-QGZVFWFLSA-N 1 2 367.471 2.421 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cc1 ZINC000182298227 547469261 /nfs/dbraw/zinc/46/92/61/547469261.db2.gz SFPKQAXABZBODZ-QGZVFWFLSA-N 1 2 367.471 2.421 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1[nH+]ccn1CC(C)C ZINC000182417164 547489780 /nfs/dbraw/zinc/48/97/80/547489780.db2.gz FQRVKTGRCKLRIL-UHFFFAOYSA-N 1 2 352.416 2.234 20 5 FEBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000183120802 547605539 /nfs/dbraw/zinc/60/55/39/547605539.db2.gz WFMPMXYTFZTYEW-UHFFFAOYSA-N 1 2 366.333 2.439 20 5 FEBDLO Cc1cc(C(=O)NCC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000183351757 547642979 /nfs/dbraw/zinc/64/29/79/547642979.db2.gz DHWBDQITZXWRNA-OAHLLOKOSA-N 1 2 371.397 2.110 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000183389202 547649250 /nfs/dbraw/zinc/64/92/50/547649250.db2.gz WBWSULDELDEQEU-INIZCTEOSA-N 1 2 360.458 2.032 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000183389202 547649254 /nfs/dbraw/zinc/64/92/54/547649254.db2.gz WBWSULDELDEQEU-INIZCTEOSA-N 1 2 360.458 2.032 20 5 FEBDLO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000183601705 547687369 /nfs/dbraw/zinc/68/73/69/547687369.db2.gz LEFDCDWQWKYLSF-INIZCTEOSA-N 1 2 371.397 2.185 20 5 FEBDLO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ccc([N+](=O)[O-])cc1O ZINC000184773213 547878066 /nfs/dbraw/zinc/87/80/66/547878066.db2.gz KTRQYIRCRYJHPB-UHFFFAOYSA-N 1 2 363.414 2.065 20 5 FEBDLO C[C@H]1CCCN(c2ccc(C(=O)NCc3[nH+]ccn3C)cc2[N+](=O)[O-])C1 ZINC000485508142 561320659 /nfs/dbraw/zinc/32/06/59/561320659.db2.gz VGURVUJPFMEGEE-ZDUSSCGKSA-N 1 2 357.414 2.495 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186572855 548153593 /nfs/dbraw/zinc/15/35/93/548153593.db2.gz IMJHKLGXHZFMJW-DYVFJYSZSA-N 1 2 370.409 2.336 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186572855 548153595 /nfs/dbraw/zinc/15/35/95/548153595.db2.gz IMJHKLGXHZFMJW-DYVFJYSZSA-N 1 2 370.409 2.336 20 5 FEBDLO Cn1c2cc(Br)ccc2[nH+]c1Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000486049246 561336747 /nfs/dbraw/zinc/33/67/47/561336747.db2.gz ZJISKXRETFNTRP-UHFFFAOYSA-N 1 2 363.171 2.454 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1C ZINC000486634507 561352991 /nfs/dbraw/zinc/35/29/91/561352991.db2.gz WPHYYVXZLMKWBC-OAHLLOKOSA-N 1 2 355.460 2.172 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1C ZINC000486634507 561352992 /nfs/dbraw/zinc/35/29/92/561352992.db2.gz WPHYYVXZLMKWBC-OAHLLOKOSA-N 1 2 355.460 2.172 20 5 FEBDLO COC(=O)c1cc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(C)c([N+](=O)[O-])c1 ZINC000486883622 561358884 /nfs/dbraw/zinc/35/88/84/561358884.db2.gz RXYIINIYGWJJAW-GFCCVEGCSA-N 1 2 373.369 2.023 20 5 FEBDLO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H](C)C1 ZINC000245644007 548964327 /nfs/dbraw/zinc/96/43/27/548964327.db2.gz ZLBBDJGFDHRHRC-XJKSGUPXSA-N 1 2 365.430 2.167 20 5 FEBDLO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H](C)C1 ZINC000245644007 548964329 /nfs/dbraw/zinc/96/43/29/548964329.db2.gz ZLBBDJGFDHRHRC-XJKSGUPXSA-N 1 2 365.430 2.167 20 5 FEBDLO CC(C)CN1C[C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000488741860 561395710 /nfs/dbraw/zinc/39/57/10/561395710.db2.gz CPFIDKWROFNMRB-MRXNPFEDSA-N 1 2 362.430 2.051 20 5 FEBDLO CC(C)CN1C[C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000488741860 561395711 /nfs/dbraw/zinc/39/57/11/561395711.db2.gz CPFIDKWROFNMRB-MRXNPFEDSA-N 1 2 362.430 2.051 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000246879168 549234087 /nfs/dbraw/zinc/23/40/87/549234087.db2.gz DNZWHTYKCWATDP-GOEBONIOSA-N 1 2 364.423 2.470 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000246879168 549234093 /nfs/dbraw/zinc/23/40/93/549234093.db2.gz DNZWHTYKCWATDP-GOEBONIOSA-N 1 2 364.423 2.470 20 5 FEBDLO COCC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCO[C@H]1C ZINC000489469648 561412091 /nfs/dbraw/zinc/41/20/91/561412091.db2.gz LBQPMWQGALQYGD-SWLSCSKDSA-N 1 2 362.386 2.271 20 5 FEBDLO COCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCO[C@H]1C ZINC000489469648 561412092 /nfs/dbraw/zinc/41/20/92/561412092.db2.gz LBQPMWQGALQYGD-SWLSCSKDSA-N 1 2 362.386 2.271 20 5 FEBDLO C[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000251038549 549645411 /nfs/dbraw/zinc/64/54/11/549645411.db2.gz KICPALFDIVLIHQ-IHRRRGAJSA-N 1 2 367.471 2.301 20 5 FEBDLO Cc1nn(CCC(=O)NCc2cn3cc(C)ccc3[nH+]2)c(C)c1[N+](=O)[O-] ZINC000263808568 549940589 /nfs/dbraw/zinc/94/05/89/549940589.db2.gz MREJRNXFISGORQ-UHFFFAOYSA-N 1 2 356.386 2.071 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263973921 549962210 /nfs/dbraw/zinc/96/22/10/549962210.db2.gz YHYTWRMSPJVYNX-LBPRGKRZSA-N 1 2 359.386 2.416 20 5 FEBDLO CC(C)CO[C@@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000268377819 550056042 /nfs/dbraw/zinc/05/60/42/550056042.db2.gz MIJKSUYTIXMKNI-GFCCVEGCSA-N 1 2 365.386 2.009 20 5 FEBDLO CC(C)CO[C@@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000268377819 550056043 /nfs/dbraw/zinc/05/60/43/550056043.db2.gz MIJKSUYTIXMKNI-GFCCVEGCSA-N 1 2 365.386 2.009 20 5 FEBDLO Cc1nnc([C@H]2CCC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)[nH]1 ZINC000268411526 550060761 /nfs/dbraw/zinc/06/07/61/550060761.db2.gz AVIVULPIGZFUBB-ZDUSSCGKSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)[nH]1 ZINC000268411526 550060765 /nfs/dbraw/zinc/06/07/65/550060765.db2.gz AVIVULPIGZFUBB-ZDUSSCGKSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000268411526 550060769 /nfs/dbraw/zinc/06/07/69/550060769.db2.gz AVIVULPIGZFUBB-ZDUSSCGKSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000268411526 550060773 /nfs/dbraw/zinc/06/07/73/550060773.db2.gz AVIVULPIGZFUBB-ZDUSSCGKSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1nc([C@H]2CCC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n[nH]1 ZINC000268411526 550060777 /nfs/dbraw/zinc/06/07/77/550060777.db2.gz AVIVULPIGZFUBB-ZDUSSCGKSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1nc([C@H]2CCC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n[nH]1 ZINC000268411526 550060781 /nfs/dbraw/zinc/06/07/81/550060781.db2.gz AVIVULPIGZFUBB-ZDUSSCGKSA-N 1 2 369.385 2.451 20 5 FEBDLO COc1cc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])cc1OC ZINC000269862904 550231738 /nfs/dbraw/zinc/23/17/38/550231738.db2.gz ONXLCPLTAYURRL-LBPRGKRZSA-N 1 2 372.381 2.016 20 5 FEBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272201649 550428031 /nfs/dbraw/zinc/42/80/31/550428031.db2.gz GLODLRRTKPWMTG-UHFFFAOYSA-N 1 2 370.365 2.249 20 5 FEBDLO CCOCCOC1C[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000272456194 550450071 /nfs/dbraw/zinc/45/00/71/550450071.db2.gz XFSKJXYYLPENTG-UHFFFAOYSA-N 1 2 360.414 2.233 20 5 FEBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(CCNc3ccccc3[N+](=O)[O-])n2)C1 ZINC000272668033 550464314 /nfs/dbraw/zinc/46/43/14/550464314.db2.gz PTWFZZLWIHIQBG-OAHLLOKOSA-N 1 2 361.402 2.414 20 5 FEBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(CCNc3ccccc3[N+](=O)[O-])n2)C1 ZINC000272668033 550464315 /nfs/dbraw/zinc/46/43/15/550464315.db2.gz PTWFZZLWIHIQBG-OAHLLOKOSA-N 1 2 361.402 2.414 20 5 FEBDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273152165 550487508 /nfs/dbraw/zinc/48/75/08/550487508.db2.gz MDJAGUDPLDAVMP-CRAIPNDOSA-N 1 2 374.393 2.181 20 5 FEBDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273152165 550487509 /nfs/dbraw/zinc/48/75/09/550487509.db2.gz MDJAGUDPLDAVMP-CRAIPNDOSA-N 1 2 374.393 2.181 20 5 FEBDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273152166 550487515 /nfs/dbraw/zinc/48/75/15/550487515.db2.gz MDJAGUDPLDAVMP-MAUKXSAKSA-N 1 2 374.393 2.181 20 5 FEBDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273152166 550487516 /nfs/dbraw/zinc/48/75/16/550487516.db2.gz MDJAGUDPLDAVMP-MAUKXSAKSA-N 1 2 374.393 2.181 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)ccc1Cl ZINC000278939528 550838169 /nfs/dbraw/zinc/83/81/69/550838169.db2.gz UIFGKHRMPGSULB-CYBMUJFWSA-N 1 2 373.862 2.248 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)ccc1Cl ZINC000278939528 550838170 /nfs/dbraw/zinc/83/81/70/550838170.db2.gz UIFGKHRMPGSULB-CYBMUJFWSA-N 1 2 373.862 2.248 20 5 FEBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000279151348 550859204 /nfs/dbraw/zinc/85/92/04/550859204.db2.gz FIABFSFZZKLOFQ-UHFFFAOYSA-N 1 2 374.372 2.401 20 5 FEBDLO Cc1nn(C)c(C(=O)N2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)c1[N+](=O)[O-] ZINC000279242272 550869104 /nfs/dbraw/zinc/86/91/04/550869104.db2.gz RURBYZLZEKBTNZ-CQSZACIVSA-N 1 2 372.429 2.226 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccn2)CC1 ZINC000280307532 550979034 /nfs/dbraw/zinc/97/90/34/550979034.db2.gz RXLXCSLZFAABBM-OAHLLOKOSA-N 1 2 369.425 2.135 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)O1 ZINC000282348535 551215049 /nfs/dbraw/zinc/21/50/49/551215049.db2.gz CHYYLRJGOIJRKL-KCXZSRPNSA-N 1 2 352.362 2.417 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)O1 ZINC000282348535 551215050 /nfs/dbraw/zinc/21/50/50/551215050.db2.gz CHYYLRJGOIJRKL-KCXZSRPNSA-N 1 2 352.362 2.417 20 5 FEBDLO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000286835077 551931294 /nfs/dbraw/zinc/93/12/94/551931294.db2.gz JYCUOHNTLLGGHR-JKIFEVAISA-N 1 2 362.430 2.160 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000287284126 551985032 /nfs/dbraw/zinc/98/50/32/551985032.db2.gz KXJQGBKQSVGOJZ-AAEUAGOBSA-N 1 2 353.806 2.183 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000287495979 552011705 /nfs/dbraw/zinc/01/17/05/552011705.db2.gz UJEUCTKZDWHCMX-RHSMWYFYSA-N 1 2 361.442 2.194 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCCO)Cc1ccccn1 ZINC000287898012 552060515 /nfs/dbraw/zinc/06/05/15/552060515.db2.gz UQWYIDVINUUGTB-UHFFFAOYSA-N 1 2 358.398 2.121 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCCO)Cc1ccccn1 ZINC000287898012 552060516 /nfs/dbraw/zinc/06/05/16/552060516.db2.gz UQWYIDVINUUGTB-UHFFFAOYSA-N 1 2 358.398 2.121 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000290441575 552479599 /nfs/dbraw/zinc/47/95/99/552479599.db2.gz SHPQJBUKVPJMLV-UHFFFAOYSA-N 1 2 351.384 2.395 20 5 FEBDLO COc1cc[nH+]cc1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000292970652 552776099 /nfs/dbraw/zinc/77/60/99/552776099.db2.gz LCKFDKRRMVSALE-UHFFFAOYSA-N 1 2 351.384 2.094 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293615786 552840734 /nfs/dbraw/zinc/84/07/34/552840734.db2.gz VWXLTQYSLLXTEQ-JTQLQIEISA-N 1 2 361.320 2.064 20 5 FEBDLO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000501752630 561604668 /nfs/dbraw/zinc/60/46/68/561604668.db2.gz XXPMFEQBWZIOGO-UHFFFAOYSA-N 1 2 364.365 2.496 20 5 FEBDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000294783769 552933997 /nfs/dbraw/zinc/93/39/97/552933997.db2.gz LIZDXEWSISKLAH-HNNXBMFYSA-N 1 2 365.386 2.124 20 5 FEBDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000294783769 552933998 /nfs/dbraw/zinc/93/39/98/552933998.db2.gz LIZDXEWSISKLAH-HNNXBMFYSA-N 1 2 365.386 2.124 20 5 FEBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295116722 552960404 /nfs/dbraw/zinc/96/04/04/552960404.db2.gz MNJGDBCZCPFLAB-ZDUSSCGKSA-N 1 2 357.382 2.051 20 5 FEBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295116722 552960405 /nfs/dbraw/zinc/96/04/05/552960405.db2.gz MNJGDBCZCPFLAB-ZDUSSCGKSA-N 1 2 357.382 2.051 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3c(Cl)cc(F)cc3C2)c1 ZINC000295717826 553049418 /nfs/dbraw/zinc/04/94/18/553049418.db2.gz NUSDTMRJRLVVMN-CYBMUJFWSA-N 1 2 354.769 2.003 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3c(Cl)cc(F)cc3C2)c1 ZINC000295717826 553049420 /nfs/dbraw/zinc/04/94/20/553049420.db2.gz NUSDTMRJRLVVMN-CYBMUJFWSA-N 1 2 354.769 2.003 20 5 FEBDLO CCOC(=O)c1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)[nH]c1C ZINC000296117208 553107550 /nfs/dbraw/zinc/10/75/50/553107550.db2.gz VFJQMKADZVYBHU-UHFFFAOYSA-N 1 2 373.413 2.125 20 5 FEBDLO Cc1cc(Cl)c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000296145504 553111816 /nfs/dbraw/zinc/11/18/16/553111816.db2.gz SCMUPFQTXOPWCY-IUODEOHRSA-N 1 2 367.833 2.492 20 5 FEBDLO CCN(C)C(=O)[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000296175470 553116819 /nfs/dbraw/zinc/11/68/19/553116819.db2.gz ICDZPSVCFHYADO-HNNXBMFYSA-N 1 2 361.402 2.237 20 5 FEBDLO COc1ccc(F)cc1C[NH+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000296561318 553179703 /nfs/dbraw/zinc/17/97/03/553179703.db2.gz PPGZFNFYQYUHMK-UHFFFAOYSA-N 1 2 361.377 2.163 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000297785704 553338602 /nfs/dbraw/zinc/33/86/02/553338602.db2.gz GYLCURVEQXDCJC-UHFFFAOYSA-N 1 2 371.397 2.164 20 5 FEBDLO COc1ccc(CNC(=O)NCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000298924129 553490383 /nfs/dbraw/zinc/49/03/83/553490383.db2.gz JKTRKVIDNYGYRG-UHFFFAOYSA-N 1 2 359.386 2.300 20 5 FEBDLO Cc1cc(N[C@@H](CO)c2cnn(C)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301833316 553683592 /nfs/dbraw/zinc/68/35/92/553683592.db2.gz RWYFAQWZYKWOJU-HNNXBMFYSA-N 1 2 354.370 2.239 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000302003609 553697474 /nfs/dbraw/zinc/69/74/74/553697474.db2.gz YNJYSVLSPXRHPN-LLVKDONJSA-N 1 2 359.473 2.124 20 5 FEBDLO O=[N+]([O-])c1ccccc1NCCNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000302099311 553704110 /nfs/dbraw/zinc/70/41/10/553704110.db2.gz KNQAJXYPBVTZKQ-CQSZACIVSA-N 1 2 372.429 2.260 20 5 FEBDLO O=[N+]([O-])c1ccccc1NCCNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000302099311 553704113 /nfs/dbraw/zinc/70/41/13/553704113.db2.gz KNQAJXYPBVTZKQ-CQSZACIVSA-N 1 2 372.429 2.260 20 5 FEBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000505516759 561672814 /nfs/dbraw/zinc/67/28/14/561672814.db2.gz QKWPRRKRNDDKOL-OAHLLOKOSA-N 1 2 351.366 2.258 20 5 FEBDLO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000505522087 561672940 /nfs/dbraw/zinc/67/29/40/561672940.db2.gz BFXDELMUQBQTCJ-QGZVFWFLSA-N 1 2 351.366 2.258 20 5 FEBDLO CN(C)C(=O)N1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000330691513 554158408 /nfs/dbraw/zinc/15/84/08/554158408.db2.gz GSKHFQFAQLHQDV-UHFFFAOYSA-N 1 2 363.418 2.056 20 5 FEBDLO CN(C)C(=O)N1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000330691513 554158410 /nfs/dbraw/zinc/15/84/10/554158410.db2.gz GSKHFQFAQLHQDV-UHFFFAOYSA-N 1 2 363.418 2.056 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000330693723 554158507 /nfs/dbraw/zinc/15/85/07/554158507.db2.gz CMRDASOLGYFJJI-BBRMVZONSA-N 1 2 365.430 2.271 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000330693723 554158508 /nfs/dbraw/zinc/15/85/08/554158508.db2.gz CMRDASOLGYFJJI-BBRMVZONSA-N 1 2 365.430 2.271 20 5 FEBDLO C[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000330719907 554162773 /nfs/dbraw/zinc/16/27/73/554162773.db2.gz WJNQTBQDVFJWSW-NWDGAFQWSA-N 1 2 359.423 2.133 20 5 FEBDLO C[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000330719907 554162774 /nfs/dbraw/zinc/16/27/74/554162774.db2.gz WJNQTBQDVFJWSW-NWDGAFQWSA-N 1 2 359.423 2.133 20 5 FEBDLO Cc1cn2cc(NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000508468057 561762833 /nfs/dbraw/zinc/76/28/33/561762833.db2.gz PAQGLXDSCAFROX-GFCCVEGCSA-N 1 2 367.365 2.308 20 5 FEBDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000331598800 554291994 /nfs/dbraw/zinc/29/19/94/554291994.db2.gz QHSYWGDVGICSCA-LBTNJELSSA-N 1 2 363.414 2.192 20 5 FEBDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000331598800 554291998 /nfs/dbraw/zinc/29/19/98/554291998.db2.gz QHSYWGDVGICSCA-LBTNJELSSA-N 1 2 363.414 2.192 20 5 FEBDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000510380829 561832954 /nfs/dbraw/zinc/83/29/54/561832954.db2.gz OTINLPDPINLBAV-MRXNPFEDSA-N 1 2 371.397 2.252 20 5 FEBDLO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000363467198 555113104 /nfs/dbraw/zinc/11/31/04/555113104.db2.gz INRHLXRJHRUWDA-DLBZAZTESA-N 1 2 374.441 2.399 20 5 FEBDLO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000363467198 555113105 /nfs/dbraw/zinc/11/31/05/555113105.db2.gz INRHLXRJHRUWDA-DLBZAZTESA-N 1 2 374.441 2.399 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000363810887 555191012 /nfs/dbraw/zinc/19/10/12/555191012.db2.gz COBKWFZISRNSGS-HKUYNNGSSA-N 1 2 374.393 2.114 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000363810887 555191013 /nfs/dbraw/zinc/19/10/13/555191013.db2.gz COBKWFZISRNSGS-HKUYNNGSSA-N 1 2 374.393 2.114 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000364636231 555359252 /nfs/dbraw/zinc/35/92/52/555359252.db2.gz VTJCSMPOOYPGAR-AEFFLSMTSA-N 1 2 358.394 2.408 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000364636231 555359253 /nfs/dbraw/zinc/35/92/53/555359253.db2.gz VTJCSMPOOYPGAR-AEFFLSMTSA-N 1 2 358.394 2.408 20 5 FEBDLO C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000513411873 561937476 /nfs/dbraw/zinc/93/74/76/561937476.db2.gz RACGYPDHNLLWEC-SJLPKXTDSA-N 1 2 374.485 2.407 20 5 FEBDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000513411873 561937477 /nfs/dbraw/zinc/93/74/77/561937477.db2.gz RACGYPDHNLLWEC-SJLPKXTDSA-N 1 2 374.485 2.407 20 5 FEBDLO Cn1cc[nH+]c1[C@@H](NCc1cccc(C(N)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000513685021 561946643 /nfs/dbraw/zinc/94/66/43/561946643.db2.gz WFHXEEJIMLZYTF-KRWDZBQOSA-N 1 2 365.393 2.306 20 5 FEBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000366286003 555802023 /nfs/dbraw/zinc/80/20/23/555802023.db2.gz RCTALQGDXDCNDQ-HOCLYGCPSA-N 1 2 351.359 2.273 20 5 FEBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000366286003 555802025 /nfs/dbraw/zinc/80/20/25/555802025.db2.gz RCTALQGDXDCNDQ-HOCLYGCPSA-N 1 2 351.359 2.273 20 5 FEBDLO C[C@@H](C(=O)Nc1c[nH+]ccc1-n1ccnn1)c1ccc([N+](=O)[O-])cc1F ZINC000367376646 556032214 /nfs/dbraw/zinc/03/22/14/556032214.db2.gz CHTNKHFSHRYBCB-SNVBAGLBSA-N 1 2 356.317 2.452 20 5 FEBDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000368187322 556242508 /nfs/dbraw/zinc/24/25/08/556242508.db2.gz FHZMVJJFXWNFEB-QZTJIDSGSA-N 1 2 355.394 2.110 20 5 FEBDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000368187322 556242511 /nfs/dbraw/zinc/24/25/11/556242511.db2.gz FHZMVJJFXWNFEB-QZTJIDSGSA-N 1 2 355.394 2.110 20 5 FEBDLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000368187321 556242647 /nfs/dbraw/zinc/24/26/47/556242647.db2.gz FHZMVJJFXWNFEB-MSOLQXFVSA-N 1 2 355.394 2.110 20 5 FEBDLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000368187321 556242649 /nfs/dbraw/zinc/24/26/49/556242649.db2.gz FHZMVJJFXWNFEB-MSOLQXFVSA-N 1 2 355.394 2.110 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000368454122 556313945 /nfs/dbraw/zinc/31/39/45/556313945.db2.gz JKYZSVHZAICWAH-STQMWFEESA-N 1 2 370.413 2.174 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000368454122 556313947 /nfs/dbraw/zinc/31/39/47/556313947.db2.gz JKYZSVHZAICWAH-STQMWFEESA-N 1 2 370.413 2.174 20 5 FEBDLO Cc1sc(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000515365448 562007455 /nfs/dbraw/zinc/00/74/55/562007455.db2.gz VAOKWCKIHZQTHA-CYBMUJFWSA-N 1 2 355.460 2.441 20 5 FEBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C[C@@H](C)O2 ZINC000369318497 556573360 /nfs/dbraw/zinc/57/33/60/556573360.db2.gz DCPLOUHVHQLMCI-SNUQEOBHSA-N 1 2 374.397 2.413 20 5 FEBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C[C@@H](C)O2 ZINC000369318497 556573363 /nfs/dbraw/zinc/57/33/63/556573363.db2.gz DCPLOUHVHQLMCI-SNUQEOBHSA-N 1 2 374.397 2.413 20 5 FEBDLO Cc1cc(F)cc([C@]2(F)CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000370238688 556819520 /nfs/dbraw/zinc/81/95/20/556819520.db2.gz NGKUJOLKFORXBM-SJORKVTESA-N 1 2 366.368 2.170 20 5 FEBDLO Cc1cc(F)cc([C@]2(F)CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000370238688 556819522 /nfs/dbraw/zinc/81/95/22/556819522.db2.gz NGKUJOLKFORXBM-SJORKVTESA-N 1 2 366.368 2.170 20 5 FEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1F ZINC000370539301 556903248 /nfs/dbraw/zinc/90/32/48/556903248.db2.gz LMRPHIQQWADFGV-HNNXBMFYSA-N 1 2 355.329 2.382 20 5 FEBDLO Cc1cc(N2CCC(NC(=O)Cc3cccc([N+](=O)[O-])c3C)CC2)nc[nH+]1 ZINC000370814260 556976364 /nfs/dbraw/zinc/97/63/64/556976364.db2.gz JEVOODVRRXYESH-UHFFFAOYSA-N 1 2 369.425 2.329 20 5 FEBDLO O=C(c1ccco1)N1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000371007924 557043787 /nfs/dbraw/zinc/04/37/87/557043787.db2.gz WRHQIQOASINKQL-INIZCTEOSA-N 1 2 359.382 2.069 20 5 FEBDLO O=C(c1ccco1)N1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000371007924 557043789 /nfs/dbraw/zinc/04/37/89/557043789.db2.gz WRHQIQOASINKQL-INIZCTEOSA-N 1 2 359.382 2.069 20 5 FEBDLO CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CC[NH+](C2CCOCC2)CC1 ZINC000373486991 557702518 /nfs/dbraw/zinc/70/25/18/557702518.db2.gz YAWONDSOHNHNCA-UHFFFAOYSA-N 1 2 363.414 2.016 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000373805378 557763166 /nfs/dbraw/zinc/76/31/66/557763166.db2.gz OAAXZUCHHBZISS-QWQRMKEZSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000373805378 557763169 /nfs/dbraw/zinc/76/31/69/557763169.db2.gz OAAXZUCHHBZISS-QWQRMKEZSA-N 1 2 363.414 2.192 20 5 FEBDLO COc1ccccc1[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC[NH2+]1 ZINC000374371784 557873534 /nfs/dbraw/zinc/87/35/34/557873534.db2.gz LXERVEXXOPUGTD-OAHLLOKOSA-N 1 2 371.393 2.399 20 5 FEBDLO COC(=O)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H](OC)C1 ZINC000521052045 562168611 /nfs/dbraw/zinc/16/86/11/562168611.db2.gz KMTRVMKKOXSINY-BHYGNILZSA-N 1 2 350.415 2.474 20 5 FEBDLO CCc1n[nH]c(C(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000374868571 557943464 /nfs/dbraw/zinc/94/34/64/557943464.db2.gz MCKBCOBMSVQWJZ-CYBMUJFWSA-N 1 2 363.805 2.320 20 5 FEBDLO CCc1[nH]nc(C(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000374868571 557943466 /nfs/dbraw/zinc/94/34/66/557943466.db2.gz MCKBCOBMSVQWJZ-CYBMUJFWSA-N 1 2 363.805 2.320 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2cnccn2)CC1 ZINC000375671952 558065251 /nfs/dbraw/zinc/06/52/51/558065251.db2.gz KPPBMOZESFLOEN-UHFFFAOYSA-N 1 2 371.397 2.212 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000375935052 558102342 /nfs/dbraw/zinc/10/23/42/558102342.db2.gz UNMOAKMPXICGFE-ZDUSSCGKSA-N 1 2 364.427 2.038 20 5 FEBDLO C[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000376171212 558136185 /nfs/dbraw/zinc/13/61/85/558136185.db2.gz INQZTSOAXHFVEE-VNHYZAJKSA-N 1 2 365.405 2.159 20 5 FEBDLO CN(C)c1ncnc(Cl)c1C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000376757975 558217840 /nfs/dbraw/zinc/21/78/40/558217840.db2.gz JYCCPIOQNOKVHG-LLVKDONJSA-N 1 2 365.825 2.138 20 5 FEBDLO CN(C)c1ncnc(Cl)c1C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000376757975 558217841 /nfs/dbraw/zinc/21/78/41/558217841.db2.gz JYCCPIOQNOKVHG-LLVKDONJSA-N 1 2 365.825 2.138 20 5 FEBDLO Cc1cc(S(=O)(=O)N(C)Cc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000376911101 558237912 /nfs/dbraw/zinc/23/79/12/558237912.db2.gz LJRRHYLDKBOAFW-UHFFFAOYSA-N 1 2 364.427 2.257 20 5 FEBDLO COc1ccc(NC(=O)C[NH+]2CCC(c3cnccn3)CC2)c([N+](=O)[O-])c1 ZINC000376997446 558249793 /nfs/dbraw/zinc/24/97/93/558249793.db2.gz LVKVWBTVNOZGOU-UHFFFAOYSA-N 1 2 371.397 2.212 20 5 FEBDLO CCCC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000377200951 558287139 /nfs/dbraw/zinc/28/71/39/558287139.db2.gz COJSAKSTRAGDPN-UHFFFAOYSA-N 1 2 350.375 2.337 20 5 FEBDLO CCCC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000377200951 558287141 /nfs/dbraw/zinc/28/71/41/558287141.db2.gz COJSAKSTRAGDPN-UHFFFAOYSA-N 1 2 350.375 2.337 20 5 FEBDLO Cc1n[nH]c(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)c1[N+](=O)[O-] ZINC000522222973 562194670 /nfs/dbraw/zinc/19/46/70/562194670.db2.gz HVVYLUJDYFUZFL-LBPRGKRZSA-N 1 2 358.333 2.018 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000377366191 558326465 /nfs/dbraw/zinc/32/64/65/558326465.db2.gz OYYKPLIHBRYZOK-WCQYABFASA-N 1 2 353.806 2.183 20 5 FEBDLO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)n2)n1C ZINC000377463283 558345046 /nfs/dbraw/zinc/34/50/46/558345046.db2.gz MHJZNUKBZCUQBJ-ZYHUDNBSSA-N 1 2 369.385 2.322 20 5 FEBDLO CCc1nc([C@H]2CCC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC000377497975 558352178 /nfs/dbraw/zinc/35/21/78/558352178.db2.gz VLFRDMBENUWCDJ-LBPRGKRZSA-N 1 2 359.386 2.358 20 5 FEBDLO CCc1nc([C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC000377497975 558352179 /nfs/dbraw/zinc/35/21/79/558352179.db2.gz VLFRDMBENUWCDJ-LBPRGKRZSA-N 1 2 359.386 2.358 20 5 FEBDLO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2ncon2)c([N+](=O)[O-])c1 ZINC000377501708 558352487 /nfs/dbraw/zinc/35/24/87/558352487.db2.gz XFWJLAQEBDCAQR-ZDUSSCGKSA-N 1 2 361.358 2.152 20 5 FEBDLO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2ncon2)c([N+](=O)[O-])c1 ZINC000377501708 558352491 /nfs/dbraw/zinc/35/24/91/558352491.db2.gz XFWJLAQEBDCAQR-ZDUSSCGKSA-N 1 2 361.358 2.152 20 5 FEBDLO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000378571450 558586292 /nfs/dbraw/zinc/58/62/92/558586292.db2.gz NJLVHPLAGAMXGO-CAGXHZNZSA-N 1 2 369.425 2.017 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)c1C ZINC000408148735 558651826 /nfs/dbraw/zinc/65/18/26/558651826.db2.gz DCVUBHXHUFFWFR-UHFFFAOYSA-N 1 2 353.444 2.070 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCc3c(cnn3C)C2)c([N+](=O)[O-])c1 ZINC000411846306 558974892 /nfs/dbraw/zinc/97/48/92/558974892.db2.gz PMPKKQYPIWTWAB-LBPRGKRZSA-N 1 2 373.413 2.112 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCCc3c(cnn3C)C2)c([N+](=O)[O-])c1 ZINC000411846306 558974893 /nfs/dbraw/zinc/97/48/93/558974893.db2.gz PMPKKQYPIWTWAB-LBPRGKRZSA-N 1 2 373.413 2.112 20 5 FEBDLO C[C@@H](O)[C@H]1CCN(c2cc(NCCNc3ccc([N+](=O)[O-])cc3)[nH+]cn2)C1 ZINC000413028441 559070929 /nfs/dbraw/zinc/07/09/29/559070929.db2.gz DESUYBDRZSINFO-KGLIPLIRSA-N 1 2 372.429 2.116 20 5 FEBDLO C[C@@H](O)[C@H]1CCN(c2cc(NCCNc3ccc([N+](=O)[O-])cc3)nc[nH+]2)C1 ZINC000413028441 559070930 /nfs/dbraw/zinc/07/09/30/559070930.db2.gz DESUYBDRZSINFO-KGLIPLIRSA-N 1 2 372.429 2.116 20 5 FEBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413050139 559072629 /nfs/dbraw/zinc/07/26/29/559072629.db2.gz VFBWDWMNAQUVTA-AWEZNQCLSA-N 1 2 371.441 2.180 20 5 FEBDLO C[C@@H](O)[C@@H]1CCN(c2cc(N(C)Cc3ccccc3[N+](=O)[O-])nc[nH+]2)C1 ZINC000413052350 559073027 /nfs/dbraw/zinc/07/30/27/559073027.db2.gz MCRMXGGFAFRANS-ZIAGYGMSSA-N 1 2 357.414 2.228 20 5 FEBDLO C[C@@H](O)[C@@H]1CCN(c2cc(N(C)Cc3ccccc3[N+](=O)[O-])[nH+]cn2)C1 ZINC000413052350 559073028 /nfs/dbraw/zinc/07/30/28/559073028.db2.gz MCRMXGGFAFRANS-ZIAGYGMSSA-N 1 2 357.414 2.228 20 5 FEBDLO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413284256 559095364 /nfs/dbraw/zinc/09/53/64/559095364.db2.gz PBKPDNIOEONOKZ-WFASDCNBSA-N 1 2 364.427 2.273 20 5 FEBDLO O=C(C1CC1)N1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000420985701 559517285 /nfs/dbraw/zinc/51/72/85/559517285.db2.gz KAQQNEBVGNBKAB-UHFFFAOYSA-N 1 2 356.382 2.304 20 5 FEBDLO O=C(C1CC1)N1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000420985701 559517286 /nfs/dbraw/zinc/51/72/86/559517286.db2.gz KAQQNEBVGNBKAB-UHFFFAOYSA-N 1 2 356.382 2.304 20 5 FEBDLO Cc1cc(NCC2(C(N)=O)CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000427413694 559755113 /nfs/dbraw/zinc/75/51/13/559755113.db2.gz MWDRSMBCVWHKDL-UHFFFAOYSA-N 1 2 355.398 2.240 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000427857973 559764194 /nfs/dbraw/zinc/76/41/94/559764194.db2.gz KCUAOTRDWBWEFQ-UHFFFAOYSA-N 1 2 366.377 2.994 20 5 FEBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])cc1Br ZINC000428355256 559773827 /nfs/dbraw/zinc/77/38/27/559773827.db2.gz OLGIUWONFXKERH-SECBINFHSA-N 1 2 365.187 2.299 20 5 FEBDLO CCc1nc(C)c(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000428374513 559774236 /nfs/dbraw/zinc/77/42/36/559774236.db2.gz QRMBOJNNUALNDZ-UHFFFAOYSA-N 1 2 358.398 2.412 20 5 FEBDLO COc1cc(C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000428864843 559785119 /nfs/dbraw/zinc/78/51/19/559785119.db2.gz AQURCLVKTJZPMF-AWEZNQCLSA-N 1 2 356.444 2.393 20 5 FEBDLO COc1cc(C[N@H+]2CCCC[C@H]2CCS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000428864843 559785120 /nfs/dbraw/zinc/78/51/20/559785120.db2.gz AQURCLVKTJZPMF-AWEZNQCLSA-N 1 2 356.444 2.393 20 5 FEBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN(c2cccc[nH+]2)CC1 ZINC000429346217 559796477 /nfs/dbraw/zinc/79/64/77/559796477.db2.gz SSBMZTJRFZEQMQ-UHFFFAOYSA-N 1 2 356.382 2.411 20 5 FEBDLO Cc1cc(OCC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000430833764 559828840 /nfs/dbraw/zinc/82/88/40/559828840.db2.gz SXAZSCWIFYCILQ-INIZCTEOSA-N 1 2 357.366 2.357 20 5 FEBDLO CCN1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000433111027 559872114 /nfs/dbraw/zinc/87/21/14/559872114.db2.gz RDHWKROHCXLNAY-INIZCTEOSA-N 1 2 357.414 2.156 20 5 FEBDLO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000433382723 559879315 /nfs/dbraw/zinc/87/93/15/559879315.db2.gz PQWBSOAEIZETTH-UHFFFAOYSA-N 1 2 356.342 2.089 20 5 FEBDLO CCC(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[NH+]1CCOCC1 ZINC000436847127 559954118 /nfs/dbraw/zinc/95/41/18/559954118.db2.gz ZHAABNGDICYYIU-INIZCTEOSA-N 1 2 365.430 2.167 20 5 FEBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000446659224 560149203 /nfs/dbraw/zinc/14/92/03/560149203.db2.gz UNBDQBKYWFUMMJ-UHFFFAOYSA-N 1 2 351.322 2.358 20 5 FEBDLO Cc1cc(C)n(CCCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000448573577 560190684 /nfs/dbraw/zinc/19/06/84/560190684.db2.gz QYXPWTCSVRGLKK-UHFFFAOYSA-N 1 2 368.397 2.414 20 5 FEBDLO CCCNC(=O)CN(CCC)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448750828 560197931 /nfs/dbraw/zinc/19/79/31/560197931.db2.gz JPKVSYQVCFCLJN-UHFFFAOYSA-N 1 2 373.413 2.159 20 5 FEBDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000450264378 560256323 /nfs/dbraw/zinc/25/63/23/560256323.db2.gz ZOPJNCZEHSIECG-UHFFFAOYSA-N 1 2 370.409 2.489 20 5 FEBDLO CC[C@@H](C(=O)OC)[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450532453 560265427 /nfs/dbraw/zinc/26/54/27/560265427.db2.gz XDFXHUQXZYEMNJ-HNNXBMFYSA-N 1 2 358.398 2.217 20 5 FEBDLO COC[C@@]1(CO)CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000450893090 560277075 /nfs/dbraw/zinc/27/70/75/560277075.db2.gz GNZWAODBPWLUJK-SFHVURJKSA-N 1 2 358.398 2.195 20 5 FEBDLO CNS(=O)(=O)c1ccc(NCc2c[nH+]c(C)cc2C)c([N+](=O)[O-])c1 ZINC000450912386 560278281 /nfs/dbraw/zinc/27/82/81/560278281.db2.gz SLQPWBRNALBUDF-UHFFFAOYSA-N 1 2 350.400 2.127 20 5 FEBDLO COc1cc(C[NH2+][C@@](C)(CO)c2cccc(O)c2)c([N+](=O)[O-])cc1F ZINC000451036538 560283883 /nfs/dbraw/zinc/28/38/83/560283883.db2.gz FXURIBBKEAGPRK-KRWDZBQOSA-N 1 2 350.346 2.445 20 5 FEBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3nnnn3C3CCOCC3)C2)cc1 ZINC000451551238 560314069 /nfs/dbraw/zinc/31/40/69/560314069.db2.gz UAGKIIYSDKMIOW-HNNXBMFYSA-N 1 2 372.429 2.312 20 5 FEBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3nnnn3C3CCOCC3)C2)cc1 ZINC000451551238 560314070 /nfs/dbraw/zinc/31/40/70/560314070.db2.gz UAGKIIYSDKMIOW-HNNXBMFYSA-N 1 2 372.429 2.312 20 5 FEBDLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451680878 560321750 /nfs/dbraw/zinc/32/17/50/560321750.db2.gz ULNCSMJULRGTHC-IZOOLLGQSA-N 1 2 368.393 2.276 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000451737005 560325727 /nfs/dbraw/zinc/32/57/27/560325727.db2.gz GDUKJAZMIFUIEX-INIZCTEOSA-N 1 2 354.428 2.004 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000451737005 560325728 /nfs/dbraw/zinc/32/57/28/560325728.db2.gz GDUKJAZMIFUIEX-INIZCTEOSA-N 1 2 354.428 2.004 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1C ZINC000451945208 560339815 /nfs/dbraw/zinc/33/98/15/560339815.db2.gz HXNCWXUHDLCGIK-NEPJUHHUSA-N 1 2 350.400 2.392 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1[N+](=O)[O-] ZINC000451947009 560340010 /nfs/dbraw/zinc/34/00/10/560340010.db2.gz OECIBYNYKLWOJO-NWDGAFQWSA-N 1 2 350.400 2.392 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000453984693 560419507 /nfs/dbraw/zinc/41/95/07/560419507.db2.gz UDHSKLCZHKYRCJ-QMTHXVAHSA-N 1 2 357.370 2.114 20 5 FEBDLO CNc1nc(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)ccc1[N+](=O)[O-] ZINC000455668221 560491219 /nfs/dbraw/zinc/49/12/19/560491219.db2.gz YOWPSBWJOMBIHS-UHFFFAOYSA-N 1 2 358.402 2.087 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000456311578 560514917 /nfs/dbraw/zinc/51/49/17/560514917.db2.gz SAJCZFJJUYNZLC-KBMXLJTQSA-N 1 2 370.409 2.404 20 5 FEBDLO Cc1cc(N2CC[NH+](C(C)(C)C(N)=O)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461944490 560789163 /nfs/dbraw/zinc/78/91/63/560789163.db2.gz ATVBIDUYNOWFRQ-UHFFFAOYSA-N 1 2 374.363 2.308 20 5 FEBDLO C/C=C/C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OCC ZINC000463417606 560813558 /nfs/dbraw/zinc/81/35/58/560813558.db2.gz PDSPMZZBHZTXPR-LYKUJDHUSA-N 1 2 372.381 2.408 20 5 FEBDLO CN(CC(=O)NCc1[nH+]ccn1CC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000463481750 560816648 /nfs/dbraw/zinc/81/66/48/560816648.db2.gz PHSKBGAQERYSLI-UHFFFAOYSA-N 1 2 371.319 2.106 20 5 FEBDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000469827263 560965438 /nfs/dbraw/zinc/96/54/38/560965438.db2.gz BGRHSPWJXDSXML-KOLCDFICSA-N 1 2 355.778 2.070 20 5 FEBDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000469827263 560965439 /nfs/dbraw/zinc/96/54/39/560965439.db2.gz BGRHSPWJXDSXML-KOLCDFICSA-N 1 2 355.778 2.070 20 5 FEBDLO COC(=O)COc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000475293005 561094239 /nfs/dbraw/zinc/09/42/39/561094239.db2.gz IZZROIMELWSUDB-YVEFUNNKSA-N 1 2 364.398 2.146 20 5 FEBDLO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000475293005 561094240 /nfs/dbraw/zinc/09/42/40/561094240.db2.gz IZZROIMELWSUDB-YVEFUNNKSA-N 1 2 364.398 2.146 20 5 FEBDLO COC(=O)C1(c2ccccc2)CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000475358755 561095513 /nfs/dbraw/zinc/09/55/13/561095513.db2.gz AJLOJBHQAUDGHG-UHFFFAOYSA-N 1 2 358.398 2.035 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000475637974 561101356 /nfs/dbraw/zinc/10/13/56/561101356.db2.gz BMSPCIXHJSBCIA-UHFFFAOYSA-N 1 2 358.402 2.284 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000475871893 561106994 /nfs/dbraw/zinc/10/69/94/561106994.db2.gz ZGCQYVMLPMYFEH-INIZCTEOSA-N 1 2 373.457 2.051 20 5 FEBDLO C[C@@H](CN1CCOCC1)[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000475871893 561106995 /nfs/dbraw/zinc/10/69/95/561106995.db2.gz ZGCQYVMLPMYFEH-INIZCTEOSA-N 1 2 373.457 2.051 20 5 FEBDLO C[C@@H](CN1CCOCC1)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000475871893 561106996 /nfs/dbraw/zinc/10/69/96/561106996.db2.gz ZGCQYVMLPMYFEH-INIZCTEOSA-N 1 2 373.457 2.051 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000531342960 562442760 /nfs/dbraw/zinc/44/27/60/562442760.db2.gz WVZDMRXTEQRSSO-UHFFFAOYSA-N 1 2 369.425 2.385 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000531342960 562442761 /nfs/dbraw/zinc/44/27/61/562442761.db2.gz WVZDMRXTEQRSSO-UHFFFAOYSA-N 1 2 369.425 2.385 20 5 FEBDLO CC(C)(NC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000531465123 562446971 /nfs/dbraw/zinc/44/69/71/562446971.db2.gz OBWGHQFUTAQNRS-UHFFFAOYSA-N 1 2 352.354 2.236 20 5 FEBDLO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000532626035 562483784 /nfs/dbraw/zinc/48/37/84/562483784.db2.gz ZVLBKOUTFAORGT-UHFFFAOYSA-N 1 2 373.394 2.040 20 5 FEBDLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)[nH]1 ZINC000540866085 562594809 /nfs/dbraw/zinc/59/48/09/562594809.db2.gz WODPGGGWKCCEAB-ZDUSSCGKSA-N 1 2 358.402 2.148 20 5 FEBDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)[nH]1 ZINC000540866085 562594810 /nfs/dbraw/zinc/59/48/10/562594810.db2.gz WODPGGGWKCCEAB-ZDUSSCGKSA-N 1 2 358.402 2.148 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2csc(C3CC3)n2)cc1 ZINC000541760778 562619454 /nfs/dbraw/zinc/61/94/54/562619454.db2.gz PVHKDMLTNKKDFX-UHFFFAOYSA-N 1 2 367.452 2.492 20 5 FEBDLO Nc1c(C(=O)NCC2CC[NH+](CC(F)F)CC2)cc(F)cc1[N+](=O)[O-] ZINC000569171990 568299516 /nfs/dbraw/zinc/29/95/16/568299516.db2.gz NUZDSRKPJREWPP-UHFFFAOYSA-N 1 2 360.336 2.023 20 5 FEBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1n1cc[nH+]c1 ZINC000820728107 607047574 /nfs/dbraw/zinc/04/75/74/607047574.db2.gz STHPEBBYWGRSHO-NHYWBVRUSA-N 1 2 354.374 2.059 20 5 FEBDLO C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000813073562 674716530 /nfs/dbraw/zinc/71/65/30/674716530.db2.gz VVVBOYHQBOKARU-PELKAZGASA-N 1 2 362.213 2.351 20 5 FEBDLO C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000813073562 674716534 /nfs/dbraw/zinc/71/65/34/674716534.db2.gz VVVBOYHQBOKARU-PELKAZGASA-N 1 2 362.213 2.351 20 5 FEBDLO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000813479181 674750248 /nfs/dbraw/zinc/75/02/48/674750248.db2.gz ANFGCHOPOMWCGQ-NSHDSACASA-N 1 2 374.224 2.448 20 5 FEBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000577706684 671614793 /nfs/dbraw/zinc/61/47/93/671614793.db2.gz DRLLYCURSFFASF-ZDUSSCGKSA-N 1 2 351.428 2.456 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000609495096 675923618 /nfs/dbraw/zinc/92/36/18/675923618.db2.gz RGHOLKBMUMBEPX-MRXNPFEDSA-N 1 2 353.444 2.223 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)nc1 ZINC000609564250 675926520 /nfs/dbraw/zinc/92/65/20/675926520.db2.gz ZYZMKPBBYMHIQE-INIZCTEOSA-N 1 2 362.817 2.499 20 5 FEBDLO CN(C[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000151916636 672171338 /nfs/dbraw/zinc/17/13/38/672171338.db2.gz TZXYBJCVDUAKEJ-CYBMUJFWSA-N 1 2 353.423 2.328 20 5 FEBDLO CN(C[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000151916636 672171342 /nfs/dbraw/zinc/17/13/42/672171342.db2.gz TZXYBJCVDUAKEJ-CYBMUJFWSA-N 1 2 353.423 2.328 20 5 FEBDLO CCC[N@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000170904304 672327067 /nfs/dbraw/zinc/32/70/67/672327067.db2.gz WHYMHTAEEJHUDH-CYBMUJFWSA-N 1 2 353.423 2.470 20 5 FEBDLO CCC[N@@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000170904304 672327069 /nfs/dbraw/zinc/32/70/69/672327069.db2.gz WHYMHTAEEJHUDH-CYBMUJFWSA-N 1 2 353.423 2.470 20 5 FEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611083946 676015952 /nfs/dbraw/zinc/01/59/52/676015952.db2.gz SWBGSNBAZNZRTA-JTQLQIEISA-N 1 2 361.851 2.271 20 5 FEBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611083946 676015955 /nfs/dbraw/zinc/01/59/55/676015955.db2.gz SWBGSNBAZNZRTA-JTQLQIEISA-N 1 2 361.851 2.271 20 5 FEBDLO Cc1cc(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)c(F)cc1[N+](=O)[O-] ZINC000590591839 672594326 /nfs/dbraw/zinc/59/43/26/672594326.db2.gz ZSQKTBVTUROWBF-UHFFFAOYSA-N 1 2 364.358 2.169 20 5 FEBDLO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000611408881 676035839 /nfs/dbraw/zinc/03/58/39/676035839.db2.gz KYZXVGHLFVXLGR-JTQLQIEISA-N 1 2 353.375 2.232 20 5 FEBDLO CC(C)=CCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000595288277 673217124 /nfs/dbraw/zinc/21/71/24/673217124.db2.gz MYGBRJRQHXDZNU-UHFFFAOYSA-N 1 2 353.444 2.257 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000443977513 673225185 /nfs/dbraw/zinc/22/51/85/673225185.db2.gz DDJOEDYKUFDYIO-NSHDSACASA-N 1 2 368.390 2.036 20 5 FEBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000595393525 673241194 /nfs/dbraw/zinc/24/11/94/673241194.db2.gz RBWORVUOFKDORA-MRXNPFEDSA-N 1 2 361.423 2.148 20 5 FEBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000595393525 673241195 /nfs/dbraw/zinc/24/11/95/673241195.db2.gz RBWORVUOFKDORA-MRXNPFEDSA-N 1 2 361.423 2.148 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000596787709 673412892 /nfs/dbraw/zinc/41/28/92/673412892.db2.gz KBAVWSFGTRGZOC-STQMWFEESA-N 1 2 350.419 2.442 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000596787709 673412894 /nfs/dbraw/zinc/41/28/94/673412894.db2.gz KBAVWSFGTRGZOC-STQMWFEESA-N 1 2 350.419 2.442 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000596839580 673418773 /nfs/dbraw/zinc/41/87/73/673418773.db2.gz SQFOBYDDAVYBKK-ZIAGYGMSSA-N 1 2 350.419 2.442 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000596839580 673418777 /nfs/dbraw/zinc/41/87/77/673418777.db2.gz SQFOBYDDAVYBKK-ZIAGYGMSSA-N 1 2 350.419 2.442 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(C)c1[N+](=O)[O-] ZINC000598602569 673588661 /nfs/dbraw/zinc/58/86/61/673588661.db2.gz UBIUPPMGGRACEY-AWEZNQCLSA-N 1 2 364.427 2.434 20 5 FEBDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000741147276 673673141 /nfs/dbraw/zinc/67/31/41/673673141.db2.gz HTRFFERCDQCSCN-ZDUSSCGKSA-N 1 2 353.350 2.090 20 5 FEBDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000741147276 673673143 /nfs/dbraw/zinc/67/31/43/673673143.db2.gz HTRFFERCDQCSCN-ZDUSSCGKSA-N 1 2 353.350 2.090 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000742235361 673715092 /nfs/dbraw/zinc/71/50/92/673715092.db2.gz DNBSAOXCEOKJCV-UHFFFAOYSA-N 1 2 357.357 2.405 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000742235361 673715094 /nfs/dbraw/zinc/71/50/94/673715094.db2.gz DNBSAOXCEOKJCV-UHFFFAOYSA-N 1 2 357.357 2.405 20 5 FEBDLO O=[N+]([O-])c1ccc(NC(=S)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000743006788 673744602 /nfs/dbraw/zinc/74/46/02/673744602.db2.gz JLJRLVTWIDINMY-OAHLLOKOSA-N 1 2 350.444 2.088 20 5 FEBDLO CC[C@H](C)[C@@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)OC ZINC000602447049 673906346 /nfs/dbraw/zinc/90/63/46/673906346.db2.gz KWRQAOYVVIGOIU-QWHCGFSZSA-N 1 2 355.460 2.475 20 5 FEBDLO Cn1cc(C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)c([N+](=O)[O-])n1 ZINC000602483557 673906536 /nfs/dbraw/zinc/90/65/36/673906536.db2.gz SEUPEDPIDWOTSQ-ZDUSSCGKSA-N 1 2 369.219 2.256 20 5 FEBDLO Cn1cc(C[N@@H+](C)[C@@H](CO)c2cccc(Br)c2)c([N+](=O)[O-])n1 ZINC000602483557 673906538 /nfs/dbraw/zinc/90/65/38/673906538.db2.gz SEUPEDPIDWOTSQ-ZDUSSCGKSA-N 1 2 369.219 2.256 20 5 FEBDLO COc1cc(C(=O)OCCn2cc[nH+]c2)c([N+](=O)[O-])cc1OC(F)F ZINC000763111273 680772976 /nfs/dbraw/zinc/77/29/76/680772976.db2.gz FGBPHDLCNHIVLG-UHFFFAOYSA-N 1 2 357.269 2.258 20 5 FEBDLO C[S@@](=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000764157678 680801313 /nfs/dbraw/zinc/80/13/13/680801313.db2.gz RODHZZYNCFEHQY-RUZDIDTESA-N 1 2 369.487 2.273 20 5 FEBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000840143595 680801942 /nfs/dbraw/zinc/80/19/42/680801942.db2.gz KALMSRBCMTUBQO-KRWDZBQOSA-N 1 2 361.423 2.367 20 5 FEBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000840143595 680801944 /nfs/dbraw/zinc/80/19/44/680801944.db2.gz KALMSRBCMTUBQO-KRWDZBQOSA-N 1 2 361.423 2.367 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C(C)(C)C1 ZINC000748824071 679998477 /nfs/dbraw/zinc/99/84/77/679998477.db2.gz HMVCBOVCMKVKGA-UHFFFAOYSA-N 1 2 353.423 2.123 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C(C)(C)C1 ZINC000748824071 679998484 /nfs/dbraw/zinc/99/84/84/679998484.db2.gz HMVCBOVCMKVKGA-UHFFFAOYSA-N 1 2 353.423 2.123 20 5 FEBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776089 680337422 /nfs/dbraw/zinc/33/74/22/680337422.db2.gz XAPIKCCMUFBKGH-QMIVOQANSA-N 1 2 370.236 2.205 20 5 FEBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776089 680337427 /nfs/dbraw/zinc/33/74/27/680337427.db2.gz XAPIKCCMUFBKGH-QMIVOQANSA-N 1 2 370.236 2.205 20 5 FEBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC001005375688 680573515 /nfs/dbraw/zinc/57/35/15/680573515.db2.gz OSUOJKSSHSPWIB-UKRRQHHQSA-N 1 2 353.369 2.053 20 5 FEBDLO C[C@@H]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)C[C@H]1n1cc[nH+]c1 ZINC000759159305 680631907 /nfs/dbraw/zinc/63/19/07/680631907.db2.gz PNUKXUBGWHUHNW-ZYHUDNBSSA-N 1 2 369.223 2.291 20 5 FEBDLO O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccnn2-c2cc[nH+]cc2)cs1 ZINC000768861801 680962131 /nfs/dbraw/zinc/96/21/31/680962131.db2.gz KMMMEOCEJRCJPE-UHFFFAOYSA-N 1 2 351.369 2.038 20 5 FEBDLO CC(=O)NC[C@@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774627661 681212234 /nfs/dbraw/zinc/21/22/34/681212234.db2.gz PVEXAXHQIZKPCT-LBPRGKRZSA-N 1 2 365.821 2.404 20 5 FEBDLO CC(=O)NC[C@@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774627661 681212239 /nfs/dbraw/zinc/21/22/39/681212239.db2.gz PVEXAXHQIZKPCT-LBPRGKRZSA-N 1 2 365.821 2.404 20 5 FEBDLO C[C@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847179863 681340762 /nfs/dbraw/zinc/34/07/62/681340762.db2.gz OPZQMGZEMLYXGP-UTUOFQBUSA-N 1 2 355.822 2.476 20 5 FEBDLO C[C@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847179863 681340763 /nfs/dbraw/zinc/34/07/63/681340763.db2.gz OPZQMGZEMLYXGP-UTUOFQBUSA-N 1 2 355.822 2.476 20 5 FEBDLO Cc1nn(C[N@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000779868390 681762492 /nfs/dbraw/zinc/76/24/92/681762492.db2.gz OTWJDIDKJCYQLO-YPMHNXCESA-N 1 2 353.423 2.292 20 5 FEBDLO Cc1nn(C[N@@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000779868390 681762497 /nfs/dbraw/zinc/76/24/97/681762497.db2.gz OTWJDIDKJCYQLO-YPMHNXCESA-N 1 2 353.423 2.292 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000935711294 681805493 /nfs/dbraw/zinc/80/54/93/681805493.db2.gz BUXYEUYOHLFIOR-BETUJISGSA-N 1 2 367.471 2.498 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000935711294 681805498 /nfs/dbraw/zinc/80/54/98/681805498.db2.gz BUXYEUYOHLFIOR-BETUJISGSA-N 1 2 367.471 2.498 20 5 FEBDLO C[C@@H]1C[N@H+](CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000855406147 682666348 /nfs/dbraw/zinc/66/63/48/682666348.db2.gz CGPIGQAMGZCJLH-WDEREUQCSA-N 1 2 373.812 2.155 20 5 FEBDLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000855406147 682666349 /nfs/dbraw/zinc/66/63/49/682666349.db2.gz CGPIGQAMGZCJLH-WDEREUQCSA-N 1 2 373.812 2.155 20 5 FEBDLO COc1c(C(=O)NCc2nc(C[NH+](C)C)cs2)cccc1[N+](=O)[O-] ZINC000927764542 683307208 /nfs/dbraw/zinc/30/72/08/683307208.db2.gz BDDOXKSIYVOUDM-UHFFFAOYSA-N 1 2 350.400 2.052 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927771231 683309527 /nfs/dbraw/zinc/30/95/27/683309527.db2.gz NXTIFMBEGPDJRT-UHFFFAOYSA-N 1 2 350.400 2.052 20 5 FEBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000922645410 683761073 /nfs/dbraw/zinc/76/10/73/683761073.db2.gz JSNFOOQYUFCPNS-DZGCQCFKSA-N 1 2 350.419 2.066 20 5 FEBDLO CC1(C)[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CS1(=O)=O ZINC000895984388 689802948 /nfs/dbraw/zinc/80/29/48/689802948.db2.gz BMYGKMRTLHZFAU-NSHDSACASA-N 1 2 352.334 2.279 20 5 FEBDLO C[C@@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@@H](C)[NH+]1CCOCC1 ZINC000900592642 690535847 /nfs/dbraw/zinc/53/58/47/690535847.db2.gz KRIVJJWPGITMBK-NXEZZACHSA-N 1 2 359.785 2.226 20 5 FEBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC001164918445 721813672 /nfs/dbraw/zinc/81/36/72/721813672.db2.gz YHRRJYVQGFMAQH-UHFFFAOYSA-N 1 2 356.430 2.244 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1[nH+]cnc2c1cnn2C ZINC000011677378 539532151 /nfs/dbraw/zinc/53/21/51/539532151.db2.gz SRMNGKDTGRYZBJ-UHFFFAOYSA-N 1 2 358.383 2.311 20 5 FEBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH+](CCOc2ccccc2)CC1 ZINC000018826801 539649875 /nfs/dbraw/zinc/64/98/75/539649875.db2.gz SNBXRROZOHEWMI-UHFFFAOYSA-N 1 2 369.421 2.361 20 5 FEBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000025639055 539764185 /nfs/dbraw/zinc/76/41/85/539764185.db2.gz AQWZRZLRDZORFW-CYBMUJFWSA-N 1 2 355.394 2.477 20 5 FEBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)[N@H+]1CCc2ccccc2C1 ZINC000025639055 539764191 /nfs/dbraw/zinc/76/41/91/539764191.db2.gz AQWZRZLRDZORFW-CYBMUJFWSA-N 1 2 355.394 2.477 20 5 FEBDLO CNC(=O)c1ccc(C[N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000029931117 539869373 /nfs/dbraw/zinc/86/93/73/539869373.db2.gz AODBTRIKJMEYDS-UHFFFAOYSA-N 1 2 370.409 2.049 20 5 FEBDLO CNC(=O)c1ccc(C[N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000029931117 539869378 /nfs/dbraw/zinc/86/93/78/539869378.db2.gz AODBTRIKJMEYDS-UHFFFAOYSA-N 1 2 370.409 2.049 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(NC(=O)C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000030285421 539877532 /nfs/dbraw/zinc/87/75/32/539877532.db2.gz VIRKKKVNMDRQOP-ZDUSSCGKSA-N 1 2 374.441 2.221 20 5 FEBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000033043466 539965597 /nfs/dbraw/zinc/96/55/97/539965597.db2.gz UJMAUBCHSWLGAT-UHFFFAOYSA-N 1 2 366.381 2.172 20 5 FEBDLO Cc1c(C(=O)NCc2ccc(N(C)C)[nH+]c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000047511683 540315833 /nfs/dbraw/zinc/31/58/33/540315833.db2.gz SWLMRLNQXFIQKX-UHFFFAOYSA-N 1 2 359.342 2.202 20 5 FEBDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000047743743 540326903 /nfs/dbraw/zinc/32/69/03/540326903.db2.gz BVPUVWREULUHAB-IYBDPMFKSA-N 1 2 360.458 2.221 20 5 FEBDLO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743349 540326967 /nfs/dbraw/zinc/32/69/67/540326967.db2.gz XILXDOKCPAQHCB-CRAIPNDOSA-N 1 2 360.458 2.412 20 5 FEBDLO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000052604864 540477297 /nfs/dbraw/zinc/47/72/97/540477297.db2.gz DZJJMRMGRIXANH-UHFFFAOYSA-N 1 2 351.366 2.434 20 5 FEBDLO CC(=O)NCC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000052848577 540493159 /nfs/dbraw/zinc/49/31/59/540493159.db2.gz QGLOQTIUWHMSAI-UHFFFAOYSA-N 1 2 368.821 2.035 20 5 FEBDLO CC(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000054317752 540582693 /nfs/dbraw/zinc/58/26/93/540582693.db2.gz VDZMJGDSKZQLBE-AWEZNQCLSA-N 1 2 353.394 2.211 20 5 FEBDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000057750890 540812868 /nfs/dbraw/zinc/81/28/68/540812868.db2.gz UHWAOPYUEGDONS-IYBDPMFKSA-N 1 2 360.458 2.221 20 5 FEBDLO COc1ccc(N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000058270336 540837289 /nfs/dbraw/zinc/83/72/89/540837289.db2.gz MVOWYXISWTVKMT-UHFFFAOYSA-N 1 2 353.338 2.461 20 5 FEBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000060391688 541109604 /nfs/dbraw/zinc/10/96/04/541109604.db2.gz IJZYCTYISUWWKH-CYBMUJFWSA-N 1 2 353.806 2.185 20 5 FEBDLO CCCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000066559166 541335053 /nfs/dbraw/zinc/33/50/53/541335053.db2.gz MVQWFGLJGXJNEI-AWEZNQCLSA-N 1 2 356.444 2.393 20 5 FEBDLO CCCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000066559166 541335055 /nfs/dbraw/zinc/33/50/55/541335055.db2.gz MVQWFGLJGXJNEI-AWEZNQCLSA-N 1 2 356.444 2.393 20 5 FEBDLO C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000066566673 541338295 /nfs/dbraw/zinc/33/82/95/541338295.db2.gz JEIKUENFPKKRTG-SJLPKXTDSA-N 1 2 374.485 2.407 20 5 FEBDLO CNC(=O)c1ccc(NCc2ccnc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000068320585 541576627 /nfs/dbraw/zinc/57/66/27/541576627.db2.gz MWQFGWXGQVAZEA-UHFFFAOYSA-N 1 2 352.354 2.147 20 5 FEBDLO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000068441535 541592680 /nfs/dbraw/zinc/59/26/80/541592680.db2.gz ALAHXHPOXRMBDN-UHFFFAOYSA-N 1 2 372.381 2.443 20 5 FEBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(O)(CC)CC2)c([N+](=O)[O-])c1 ZINC000072724270 541858955 /nfs/dbraw/zinc/85/89/55/541858955.db2.gz LOYVOHDXIILUCQ-UHFFFAOYSA-N 1 2 351.403 2.169 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075532131 542185267 /nfs/dbraw/zinc/18/52/67/542185267.db2.gz AXJICDILZPDQFG-NSHDSACASA-N 1 2 358.354 2.109 20 5 FEBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000075713678 542200208 /nfs/dbraw/zinc/20/02/08/542200208.db2.gz VGNWWFOWEFLTNQ-UHFFFAOYSA-N 1 2 359.342 2.008 20 5 FEBDLO CCOC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000008198436 207223268 /nfs/dbraw/zinc/22/32/68/207223268.db2.gz QPLXVGYHQPYYKP-UHFFFAOYSA-N 1 2 350.371 2.236 20 5 FEBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078146609 542445094 /nfs/dbraw/zinc/44/50/94/542445094.db2.gz WDGMXVMHPROHQX-BBRMVZONSA-N 1 2 359.382 2.207 20 5 FEBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078146609 542445097 /nfs/dbraw/zinc/44/50/97/542445097.db2.gz WDGMXVMHPROHQX-BBRMVZONSA-N 1 2 359.382 2.207 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000080542921 542594360 /nfs/dbraw/zinc/59/43/60/542594360.db2.gz JHKHRSPJYMNJAX-UHFFFAOYSA-N 1 2 368.437 2.342 20 5 FEBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000087033040 542740174 /nfs/dbraw/zinc/74/01/74/542740174.db2.gz LRPVEQKKMMINDO-UHFFFAOYSA-N 1 2 370.409 2.075 20 5 FEBDLO O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1)N1CCCCCC1 ZINC000042097038 132301016 /nfs/dbraw/zinc/30/10/16/132301016.db2.gz FSNMLEHJBBVPCV-UHFFFAOYSA-N 1 2 364.421 2.259 20 5 FEBDLO NC(=O)N1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000092753965 542884917 /nfs/dbraw/zinc/88/49/17/542884917.db2.gz BJFSYYDLJDQJBW-UHFFFAOYSA-N 1 2 361.427 2.305 20 5 FEBDLO NC(=O)N1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000092753965 542884919 /nfs/dbraw/zinc/88/49/19/542884919.db2.gz BJFSYYDLJDQJBW-UHFFFAOYSA-N 1 2 361.427 2.305 20 5 FEBDLO O=[N+]([O-])c1ccc(CCNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)cc1 ZINC000110263888 543353619 /nfs/dbraw/zinc/35/36/19/543353619.db2.gz HULNCGATZOKFTF-HNNXBMFYSA-N 1 2 357.414 2.248 20 5 FEBDLO O=[N+]([O-])c1ccc(CCNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)cc1 ZINC000110263888 543353621 /nfs/dbraw/zinc/35/36/21/543353621.db2.gz HULNCGATZOKFTF-HNNXBMFYSA-N 1 2 357.414 2.248 20 5 FEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000117336090 543629324 /nfs/dbraw/zinc/62/93/24/543629324.db2.gz VYRZPCMSBKHXQI-CYBMUJFWSA-N 1 2 371.397 2.496 20 5 FEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000117336090 543629327 /nfs/dbraw/zinc/62/93/27/543629327.db2.gz VYRZPCMSBKHXQI-CYBMUJFWSA-N 1 2 371.397 2.496 20 5 FEBDLO CC[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000123649425 543775058 /nfs/dbraw/zinc/77/50/58/543775058.db2.gz MRULGHZXXMBDAD-GHMZBOCLSA-N 1 2 373.251 2.034 20 5 FEBDLO CC[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000123649425 543775059 /nfs/dbraw/zinc/77/50/59/543775059.db2.gz MRULGHZXXMBDAD-GHMZBOCLSA-N 1 2 373.251 2.034 20 5 FEBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000126727257 543953381 /nfs/dbraw/zinc/95/33/81/543953381.db2.gz QTAATEQOSTVZMB-AWEZNQCLSA-N 1 2 367.471 2.403 20 5 FEBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000126727257 543953383 /nfs/dbraw/zinc/95/33/83/543953383.db2.gz QTAATEQOSTVZMB-AWEZNQCLSA-N 1 2 367.471 2.403 20 5 FEBDLO CC(C)[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000128824802 544075572 /nfs/dbraw/zinc/07/55/72/544075572.db2.gz QLUPEUISFOTLBA-HNNXBMFYSA-N 1 2 355.822 2.335 20 5 FEBDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000128430123 544052521 /nfs/dbraw/zinc/05/25/21/544052521.db2.gz GBCHEEAQNCPXOJ-HNNXBMFYSA-N 1 2 373.413 2.478 20 5 FEBDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000128430123 544052524 /nfs/dbraw/zinc/05/25/24/544052524.db2.gz GBCHEEAQNCPXOJ-HNNXBMFYSA-N 1 2 373.413 2.478 20 5 FEBDLO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000131270560 544182990 /nfs/dbraw/zinc/18/29/90/544182990.db2.gz RQZCJIABAKFNHW-NSHDSACASA-N 1 2 361.851 2.401 20 5 FEBDLO C[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000131270560 544182992 /nfs/dbraw/zinc/18/29/92/544182992.db2.gz RQZCJIABAKFNHW-NSHDSACASA-N 1 2 361.851 2.401 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CCCn2cc[nH+]c2)c1C ZINC000134542544 544312672 /nfs/dbraw/zinc/31/26/72/544312672.db2.gz DYKDBTSTCGKPFL-UHFFFAOYSA-N 1 2 352.416 2.119 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccn(-c3ccccc3[N+](=O)[O-])n1)C2 ZINC000134565595 544312841 /nfs/dbraw/zinc/31/28/41/544312841.db2.gz ZRJCUYWPSVFDKM-CYBMUJFWSA-N 1 2 366.381 2.030 20 5 FEBDLO O=[N+]([O-])c1c(NCc2ccc(N3CCOCC3)[nH+]c2)nc2sccn21 ZINC000141278844 544411734 /nfs/dbraw/zinc/41/17/34/544411734.db2.gz NOBFTWBPCIMRID-UHFFFAOYSA-N 1 2 360.399 2.148 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000151244027 544520163 /nfs/dbraw/zinc/52/01/63/544520163.db2.gz FERREZRCHLPFFU-SWLSCSKDSA-N 1 2 364.427 2.372 20 5 FEBDLO COC(=O)[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)(C)C ZINC000152509347 544662616 /nfs/dbraw/zinc/66/26/16/544662616.db2.gz XJTLAAVPHIYMHR-HNNXBMFYSA-N 1 2 351.403 2.409 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000153221988 544748618 /nfs/dbraw/zinc/74/86/18/544748618.db2.gz CJLFEDUMOYYAPM-AWEZNQCLSA-N 1 2 374.441 2.399 20 5 FEBDLO C[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)Cn1cc[nH+]c1 ZINC000153802039 544826297 /nfs/dbraw/zinc/82/62/97/544826297.db2.gz HFKUJWPFIQVCOP-CYBMUJFWSA-N 1 2 354.370 2.043 20 5 FEBDLO O=C1C[C@@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C(=O)N1Cc1ccccc1 ZINC000154854652 544958336 /nfs/dbraw/zinc/95/83/36/544958336.db2.gz WZOYREAOGJKGCZ-GOSISDBHSA-N 1 2 365.389 2.281 20 5 FEBDLO O=C1C[C@@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C(=O)N1Cc1ccccc1 ZINC000154854652 544958339 /nfs/dbraw/zinc/95/83/39/544958339.db2.gz WZOYREAOGJKGCZ-GOSISDBHSA-N 1 2 365.389 2.281 20 5 FEBDLO CCOc1ccc(NC(=O)C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000191160243 328252211 /nfs/dbraw/zinc/25/22/11/328252211.db2.gz GTILSECGLDTYAI-RYUDHWBXSA-N 1 2 351.403 2.166 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)Nc2cc(C[NH+](C)C)ccn2)cc1[N+](=O)[O-] ZINC000191903352 328287958 /nfs/dbraw/zinc/28/79/58/328287958.db2.gz QXSBMHCYCHJICF-UHFFFAOYSA-N 1 2 364.427 2.469 20 5 FEBDLO COC(=O)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000191851974 328285016 /nfs/dbraw/zinc/28/50/16/328285016.db2.gz PPIGTNORQQSJPJ-GXTWGEPZSA-N 1 2 372.381 2.052 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000191865044 328285897 /nfs/dbraw/zinc/28/58/97/328285897.db2.gz YUKJGNCHLVZHIG-CQSZACIVSA-N 1 2 367.427 2.386 20 5 FEBDLO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000193644793 328387298 /nfs/dbraw/zinc/38/72/98/328387298.db2.gz YULRMSPHABUEMG-UHFFFAOYSA-N 1 2 357.370 2.216 20 5 FEBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000087055381 325271738 /nfs/dbraw/zinc/27/17/38/325271738.db2.gz WDKHTWYVHWDBSE-UHFFFAOYSA-N 1 2 354.410 2.267 20 5 FEBDLO COc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CC3)CC2)cc1SC ZINC000103075566 325505603 /nfs/dbraw/zinc/50/56/03/325505603.db2.gz XKSPNMQUMQHFCA-UHFFFAOYSA-N 1 2 351.428 2.246 20 5 FEBDLO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000116467438 326017324 /nfs/dbraw/zinc/01/73/24/326017324.db2.gz NBEVTUIZCGNJPZ-BBRMVZONSA-N 1 2 370.409 2.336 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000116467438 326017326 /nfs/dbraw/zinc/01/73/26/326017326.db2.gz NBEVTUIZCGNJPZ-BBRMVZONSA-N 1 2 370.409 2.336 20 5 FEBDLO CC(C)C(=O)N1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000118831134 326105740 /nfs/dbraw/zinc/10/57/40/326105740.db2.gz JAQILZFACIKFIV-CQSZACIVSA-N 1 2 362.430 2.112 20 5 FEBDLO CC(C)C(=O)N1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000118831134 326105743 /nfs/dbraw/zinc/10/57/43/326105743.db2.gz JAQILZFACIKFIV-CQSZACIVSA-N 1 2 362.430 2.112 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000119599686 326179735 /nfs/dbraw/zinc/17/97/35/326179735.db2.gz FQHNDPQOCHRIEH-CQSZACIVSA-N 1 2 351.403 2.289 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000119599686 326179737 /nfs/dbraw/zinc/17/97/37/326179737.db2.gz FQHNDPQOCHRIEH-CQSZACIVSA-N 1 2 351.403 2.289 20 5 FEBDLO Cc1ccn2c(c1)nnc2NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000121759289 326364918 /nfs/dbraw/zinc/36/49/18/326364918.db2.gz IHIKTKWOZHULSI-UHFFFAOYSA-N 1 2 363.337 2.384 20 5 FEBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000121984525 326379503 /nfs/dbraw/zinc/37/95/03/326379503.db2.gz RRZGFOSNKSYLPD-UHFFFAOYSA-N 1 2 369.425 2.438 20 5 FEBDLO C[C@@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000124609637 326456948 /nfs/dbraw/zinc/45/69/48/326456948.db2.gz KATSLAODBIZVAQ-RHSMWYFYSA-N 1 2 357.414 2.337 20 5 FEBDLO Cc1c(F)cc(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000132735993 326597159 /nfs/dbraw/zinc/59/71/59/326597159.db2.gz PTRKSPJJTJCRDT-UHFFFAOYSA-N 1 2 359.423 2.005 20 5 FEBDLO CCOC(=O)c1ccnc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000134024810 326618572 /nfs/dbraw/zinc/61/85/72/326618572.db2.gz ANZUKDYWCNPMSP-GXTWGEPZSA-N 1 2 359.386 2.451 20 5 FEBDLO Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000151497735 326684026 /nfs/dbraw/zinc/68/40/26/326684026.db2.gz WHNKZRSKAISSSE-CZUORRHYSA-N 1 2 371.397 2.148 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)c1 ZINC000157715036 326872929 /nfs/dbraw/zinc/87/29/29/326872929.db2.gz NZNSPRHKHQJESH-UHFFFAOYSA-N 1 2 371.228 2.315 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+](CC)Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000171656031 327152568 /nfs/dbraw/zinc/15/25/68/327152568.db2.gz ZORMAWRTZIHUHI-UHFFFAOYSA-N 1 2 361.402 2.188 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+](CC)Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000171656031 327152570 /nfs/dbraw/zinc/15/25/70/327152570.db2.gz ZORMAWRTZIHUHI-UHFFFAOYSA-N 1 2 361.402 2.188 20 5 FEBDLO CC1(C)COCC[N@@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000172118530 327181846 /nfs/dbraw/zinc/18/18/46/327181846.db2.gz CBTWZSUEJHBDQD-UHFFFAOYSA-N 1 2 355.822 2.018 20 5 FEBDLO CC1(C)COCC[N@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000172118530 327181847 /nfs/dbraw/zinc/18/18/47/327181847.db2.gz CBTWZSUEJHBDQD-UHFFFAOYSA-N 1 2 355.822 2.018 20 5 FEBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172765891 327217828 /nfs/dbraw/zinc/21/78/28/327217828.db2.gz FVCAOOFLMCMSAO-HIFRSBDPSA-N 1 2 365.455 2.009 20 5 FEBDLO Cc1cccc2[nH+]c(CNC(=O)CN(C)c3ccccc3[N+](=O)[O-])cn21 ZINC000173287122 327247121 /nfs/dbraw/zinc/24/71/21/327247121.db2.gz STVZPPGTMMDXSQ-UHFFFAOYSA-N 1 2 353.382 2.304 20 5 FEBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173766989 327282358 /nfs/dbraw/zinc/28/23/58/327282358.db2.gz HLSBLFWWCBNNBO-HNNXBMFYSA-N 1 2 354.410 2.438 20 5 FEBDLO C[C@H](C(=O)Nc1ncccn1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173798942 327284892 /nfs/dbraw/zinc/28/48/92/327284892.db2.gz XPRXKGJHPYRZTO-CYBMUJFWSA-N 1 2 371.397 2.255 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247794997 328701797 /nfs/dbraw/zinc/70/17/97/328701797.db2.gz ZNDNOYAGPBTSTH-WFASDCNBSA-N 1 2 364.427 2.372 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000248269730 328712757 /nfs/dbraw/zinc/71/27/57/328712757.db2.gz PTIUUGAUVLWQCT-INIZCTEOSA-N 1 2 367.471 2.403 20 5 FEBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000263763310 328960168 /nfs/dbraw/zinc/96/01/68/328960168.db2.gz DPIUATOELFTRTE-WFASDCNBSA-N 1 2 371.397 2.190 20 5 FEBDLO COc1ccc(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000263877709 328971082 /nfs/dbraw/zinc/97/10/82/328971082.db2.gz ZQVKOBSOVSNGQG-UHFFFAOYSA-N 1 2 359.386 2.416 20 5 FEBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000264666184 329046220 /nfs/dbraw/zinc/04/62/20/329046220.db2.gz JUCUPUIHWRXQET-SFHVURJKSA-N 1 2 355.394 2.086 20 5 FEBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000265306249 329112549 /nfs/dbraw/zinc/11/25/49/329112549.db2.gz QAXRYPMZYBNGOT-OAHLLOKOSA-N 1 2 370.409 2.274 20 5 FEBDLO Cc1cc(NC(=O)CN2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000266526843 329232878 /nfs/dbraw/zinc/23/28/78/329232878.db2.gz KLSDPEXXLJHCLP-AWEZNQCLSA-N 1 2 373.413 2.209 20 5 FEBDLO CO[C@@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000267063306 329287766 /nfs/dbraw/zinc/28/77/66/329287766.db2.gz FUNQUXCEMZTKCP-NSHDSACASA-N 1 2 363.374 2.146 20 5 FEBDLO CO[C@@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000267063306 329287768 /nfs/dbraw/zinc/28/77/68/329287768.db2.gz FUNQUXCEMZTKCP-NSHDSACASA-N 1 2 363.374 2.146 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000267137839 329295570 /nfs/dbraw/zinc/29/55/70/329295570.db2.gz DSTNORHQCZADKR-UHFFFAOYSA-N 1 2 364.427 2.223 20 5 FEBDLO C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1([NH+]2CCOCC2)CCCC1 ZINC000269288741 329504202 /nfs/dbraw/zinc/50/42/02/329504202.db2.gz OVJYSLZRGVSUAT-CYBMUJFWSA-N 1 2 363.414 2.064 20 5 FEBDLO Cn1cc([N+](=O)[O-])c(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)n1 ZINC000271859401 329731320 /nfs/dbraw/zinc/73/13/20/329731320.db2.gz XLLHNMJNRFRJNA-UHFFFAOYSA-N 1 2 358.402 2.034 20 5 FEBDLO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000272417428 329779372 /nfs/dbraw/zinc/77/93/72/329779372.db2.gz DKYBNTJIDZSLOG-UHFFFAOYSA-N 1 2 364.427 2.070 20 5 FEBDLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c1C ZINC000273393380 329861297 /nfs/dbraw/zinc/86/12/97/329861297.db2.gz FNSRGALYPLUWBZ-UHFFFAOYSA-N 1 2 372.381 2.212 20 5 FEBDLO COC(=O)c1cnc(Nc2ccc([NH+]3CCC(O)CC3)cc2)c([N+](=O)[O-])c1 ZINC000276546382 330163277 /nfs/dbraw/zinc/16/32/77/330163277.db2.gz JSOGVGDUQOJZHX-UHFFFAOYSA-N 1 2 372.381 2.481 20 5 FEBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367086724 330215443 /nfs/dbraw/zinc/21/54/43/330215443.db2.gz VFXOFTCNWSEYOQ-GOSISDBHSA-N 1 2 369.425 2.355 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])cc1OC(F)F ZINC000804809078 674301679 /nfs/dbraw/zinc/30/16/79/674301679.db2.gz NLHOHWXGWLXNNA-DGCLKSJQSA-N 1 2 357.357 2.496 20 5 FEBDLO COC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184643575 518081421 /nfs/dbraw/zinc/08/14/21/518081421.db2.gz CWTZXAVTJQPUQZ-CQSZACIVSA-N 1 2 363.370 2.421 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159696966 545973136 /nfs/dbraw/zinc/97/31/36/545973136.db2.gz RHUKHYYLOLRODL-GFCCVEGCSA-N 1 2 357.370 2.399 20 5 FEBDLO Cc1c(CC(=O)N2CC[NH+](Cc3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000160622208 546057144 /nfs/dbraw/zinc/05/71/44/546057144.db2.gz LTIXIGMSSAPKRK-UHFFFAOYSA-N 1 2 354.410 2.185 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C)c3[nH+]cccc32)c1C ZINC000479990332 561200822 /nfs/dbraw/zinc/20/08/22/561200822.db2.gz MGJVQFTZFFCPOM-UHFFFAOYSA-N 1 2 362.411 2.252 20 5 FEBDLO CCN1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000480716584 561215075 /nfs/dbraw/zinc/21/50/75/561215075.db2.gz YBZBBGMOQJKPRG-CQSZACIVSA-N 1 2 353.386 2.144 20 5 FEBDLO CC1CCN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])cnc3N)c[nH+]2)CC1 ZINC000180535392 547125828 /nfs/dbraw/zinc/12/58/28/547125828.db2.gz BNLOMZBNRRVWHL-UHFFFAOYSA-N 1 2 370.413 2.133 20 5 FEBDLO CCOc1cc(N2CC[NH+](CC(=O)NC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000482897431 561262437 /nfs/dbraw/zinc/26/24/37/561262437.db2.gz ZQWGKCKRTFJFSH-UHFFFAOYSA-N 1 2 364.446 2.030 20 5 FEBDLO C[C@@H]1C[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)S1=O ZINC000483436722 561277201 /nfs/dbraw/zinc/27/72/01/561277201.db2.gz DXLHHQXULACFQL-CHWSQXEVSA-N 1 2 362.455 2.337 20 5 FEBDLO CC(C)[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000181931623 547407116 /nfs/dbraw/zinc/40/71/16/547407116.db2.gz XMUFZOVABXVWNP-HNNXBMFYSA-N 1 2 358.485 2.442 20 5 FEBDLO CC(C)[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000181931623 547407120 /nfs/dbraw/zinc/40/71/20/547407120.db2.gz XMUFZOVABXVWNP-HNNXBMFYSA-N 1 2 358.485 2.442 20 5 FEBDLO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000184928077 547902407 /nfs/dbraw/zinc/90/24/07/547902407.db2.gz UYDJADILFMKLMY-UHFFFAOYSA-N 1 2 359.386 2.406 20 5 FEBDLO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184969104 547909392 /nfs/dbraw/zinc/90/93/92/547909392.db2.gz DKCSKVLAUGALSC-UHFFFAOYSA-N 1 2 359.382 2.210 20 5 FEBDLO CCC[C@@H](C)[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000186254552 548108025 /nfs/dbraw/zinc/10/80/25/548108025.db2.gz IVUPGUNIRMXOOK-CYBMUJFWSA-N 1 2 355.460 2.309 20 5 FEBDLO CC[C@@H]1C[N@H+](CCNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCO1 ZINC000486000619 561334762 /nfs/dbraw/zinc/33/47/62/561334762.db2.gz ILJOEHJTTQVPMU-OAHLLOKOSA-N 1 2 362.430 2.010 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCO1 ZINC000486000619 561334763 /nfs/dbraw/zinc/33/47/63/561334763.db2.gz ILJOEHJTTQVPMU-OAHLLOKOSA-N 1 2 362.430 2.010 20 5 FEBDLO COc1cc(C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000195317231 548620583 /nfs/dbraw/zinc/62/05/83/548620583.db2.gz RMFSLSDYRKSGFZ-BETUJISGSA-N 1 2 355.410 2.284 20 5 FEBDLO COc1cc(C[N@@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000195317231 548620585 /nfs/dbraw/zinc/62/05/85/548620585.db2.gz RMFSLSDYRKSGFZ-BETUJISGSA-N 1 2 355.410 2.284 20 5 FEBDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000488992658 561401082 /nfs/dbraw/zinc/40/10/82/561401082.db2.gz IVQFWFRZQFNVDE-UHFFFAOYSA-N 1 2 372.259 2.012 20 5 FEBDLO COCC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCO[C@H]1C ZINC000489490178 561412576 /nfs/dbraw/zinc/41/25/76/561412576.db2.gz YGFWMCHINNSWPH-WFASDCNBSA-N 1 2 362.386 2.271 20 5 FEBDLO COCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCO[C@H]1C ZINC000489490178 561412577 /nfs/dbraw/zinc/41/25/77/561412577.db2.gz YGFWMCHINNSWPH-WFASDCNBSA-N 1 2 362.386 2.271 20 5 FEBDLO C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000264205285 549992513 /nfs/dbraw/zinc/99/25/13/549992513.db2.gz FCGJLSKODURNFQ-CHWSQXEVSA-N 1 2 362.430 2.008 20 5 FEBDLO Cc1nnc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000268411382 550060602 /nfs/dbraw/zinc/06/06/02/550060602.db2.gz APAOWZZNLYGMSD-YPMHNXCESA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1nnc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000268411382 550060603 /nfs/dbraw/zinc/06/06/03/550060603.db2.gz APAOWZZNLYGMSD-YPMHNXCESA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000268411382 550060605 /nfs/dbraw/zinc/06/06/05/550060605.db2.gz APAOWZZNLYGMSD-YPMHNXCESA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000268411382 550060607 /nfs/dbraw/zinc/06/06/07/550060607.db2.gz APAOWZZNLYGMSD-YPMHNXCESA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000492294086 561450756 /nfs/dbraw/zinc/45/07/56/561450756.db2.gz MHWJEQQCTFHMPI-JTQLQIEISA-N 1 2 370.818 2.046 20 5 FEBDLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000269219904 550168919 /nfs/dbraw/zinc/16/89/19/550168919.db2.gz ZZEKTUFQNSCVHV-VNHYZAJKSA-N 1 2 363.414 2.014 20 5 FEBDLO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000269219904 550168920 /nfs/dbraw/zinc/16/89/20/550168920.db2.gz ZZEKTUFQNSCVHV-VNHYZAJKSA-N 1 2 363.414 2.014 20 5 FEBDLO CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000270862908 550315159 /nfs/dbraw/zinc/31/51/59/550315159.db2.gz LWWRBEYDKIAZGG-MFKMUULPSA-N 1 2 372.303 2.212 20 5 FEBDLO CC(C)OCC[NH+]1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000270886347 550317710 /nfs/dbraw/zinc/31/77/10/550317710.db2.gz FPUDDSHWEGAAIP-UHFFFAOYSA-N 1 2 373.251 2.299 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](OCCO)C2)ccc1Br ZINC000271152982 550345613 /nfs/dbraw/zinc/34/56/13/550345613.db2.gz BXTPHXBPXGHWLT-LBPRGKRZSA-N 1 2 359.220 2.331 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](OCCO)C2)ccc1Br ZINC000271152982 550345615 /nfs/dbraw/zinc/34/56/15/550345615.db2.gz BXTPHXBPXGHWLT-LBPRGKRZSA-N 1 2 359.220 2.331 20 5 FEBDLO Cn1ccnc1[C@@H]([NH2+]CCN1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272513697 550454608 /nfs/dbraw/zinc/45/46/08/550454608.db2.gz JOZJQJWCYYAXGZ-KRWDZBQOSA-N 1 2 373.457 2.118 20 5 FEBDLO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c([N+](=O)[O-])c1 ZINC000278859917 550829820 /nfs/dbraw/zinc/82/98/20/550829820.db2.gz MYMHDQGXYCBLOW-CQSZACIVSA-N 1 2 374.372 2.271 20 5 FEBDLO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c([N+](=O)[O-])c1 ZINC000278859917 550829821 /nfs/dbraw/zinc/82/98/21/550829821.db2.gz MYMHDQGXYCBLOW-CQSZACIVSA-N 1 2 374.372 2.271 20 5 FEBDLO C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000280409069 550990760 /nfs/dbraw/zinc/99/07/60/550990760.db2.gz HEWATMWLCJUICT-QWRGUYRKSA-N 1 2 373.812 2.155 20 5 FEBDLO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000280774469 551030965 /nfs/dbraw/zinc/03/09/65/551030965.db2.gz PNRCMSBWOVOSPO-CKYFFXLPSA-N 1 2 369.805 2.316 20 5 FEBDLO COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000280774469 551030966 /nfs/dbraw/zinc/03/09/66/551030966.db2.gz PNRCMSBWOVOSPO-CKYFFXLPSA-N 1 2 369.805 2.316 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](CCCO)Cc3ccccn3)n2)c1 ZINC000281003399 551053767 /nfs/dbraw/zinc/05/37/67/551053767.db2.gz MUWCROSENJKIRZ-UHFFFAOYSA-N 1 2 369.381 2.424 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](CCCO)Cc3ccccn3)n2)c1 ZINC000281003399 551053768 /nfs/dbraw/zinc/05/37/68/551053768.db2.gz MUWCROSENJKIRZ-UHFFFAOYSA-N 1 2 369.381 2.424 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)n1 ZINC000281418094 551094885 /nfs/dbraw/zinc/09/48/85/551094885.db2.gz IHWLZEFZCHKVIC-KBPBESRZSA-N 1 2 362.409 2.081 20 5 FEBDLO CCc1cc(N[C@@H]2CCC[C@H]2C(=O)NC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000497515068 561502841 /nfs/dbraw/zinc/50/28/41/561502841.db2.gz LAKJMQJHYMXFDX-HZPDHXFCSA-N 1 2 369.425 2.363 20 5 FEBDLO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1nc(-c2nc[nH]n2)no1 ZINC000283048388 551303367 /nfs/dbraw/zinc/30/33/67/551303367.db2.gz 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Cc1noc([C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CCOCC2)n1 ZINC000498369993 561523519 /nfs/dbraw/zinc/52/35/19/561523519.db2.gz ZLILXSSRNPZJBA-MRXNPFEDSA-N 1 2 372.385 2.420 20 5 FEBDLO CN1C(=O)N[C@@H]2C[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@@H]21 ZINC000284783564 551632424 /nfs/dbraw/zinc/63/24/24/551632424.db2.gz KTUHSWAZPSIYCZ-CABCVRRESA-N 1 2 373.438 2.316 20 5 FEBDLO CN1C(=O)N[C@@H]2C[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@@H]21 ZINC000284783564 551632426 /nfs/dbraw/zinc/63/24/26/551632426.db2.gz KTUHSWAZPSIYCZ-CABCVRRESA-N 1 2 373.438 2.316 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000285596936 551780429 /nfs/dbraw/zinc/78/04/29/551780429.db2.gz JADSVOIVLTULRA-WCQYABFASA-N 1 2 352.366 2.061 20 5 FEBDLO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000286835072 551931386 /nfs/dbraw/zinc/93/13/86/551931386.db2.gz JYCUOHNTLLGGHR-GRDNDAEWSA-N 1 2 362.430 2.160 20 5 FEBDLO C[C@@H]1C[NH+]=C(N2CCN(c3ncnc4sc([N+](=O)[O-])cc43)CC2)S1 ZINC000287366219 551995049 /nfs/dbraw/zinc/99/50/49/551995049.db2.gz QDTDEHBHHOSDFL-SECBINFHSA-N 1 2 364.456 2.213 20 5 FEBDLO Cc1ccc(NC(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000288724951 552201150 /nfs/dbraw/zinc/20/11/50/552201150.db2.gz ZPGUTMOZNYNJCO-UHFFFAOYSA-N 1 2 356.382 2.246 20 5 FEBDLO CC(C)[C@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCCO1 ZINC000293088763 552787568 /nfs/dbraw/zinc/78/75/68/552787568.db2.gz KFOMEVYJBLNPGH-MRXNPFEDSA-N 1 2 365.386 2.009 20 5 FEBDLO CC(C)[C@H]1C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCCO1 ZINC000293088763 552787569 /nfs/dbraw/zinc/78/75/69/552787569.db2.gz KFOMEVYJBLNPGH-MRXNPFEDSA-N 1 2 365.386 2.009 20 5 FEBDLO Cn1c2ccc(CNC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)cc2[nH+]c1C1CC1 ZINC000293567250 552836121 /nfs/dbraw/zinc/83/61/21/552836121.db2.gz IPLXGKXWASLBGP-UHFFFAOYSA-N 1 2 367.365 2.390 20 5 FEBDLO CO[C@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1(C)C ZINC000295890336 553072280 /nfs/dbraw/zinc/07/22/80/553072280.db2.gz GNKJDNXWENAEKK-HNNXBMFYSA-N 1 2 365.386 2.009 20 5 FEBDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1(C)C ZINC000295890336 553072282 /nfs/dbraw/zinc/07/22/82/553072282.db2.gz GNKJDNXWENAEKK-HNNXBMFYSA-N 1 2 365.386 2.009 20 5 FEBDLO Cn1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c(C(C)(C)C)n1 ZINC000296025252 553091420 /nfs/dbraw/zinc/09/14/20/553091420.db2.gz NSKCJTYBQNLRAK-UHFFFAOYSA-N 1 2 358.446 2.343 20 5 FEBDLO Cc1cc(F)c(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000296652477 553193679 /nfs/dbraw/zinc/19/36/79/553193679.db2.gz FONAMLBJTNRXJJ-CHWSQXEVSA-N 1 2 366.393 2.369 20 5 FEBDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)cc1 ZINC000298846078 553480418 /nfs/dbraw/zinc/48/04/18/553480418.db2.gz KIAPZUIOOCVFGV-UHFFFAOYSA-N 1 2 358.398 2.280 20 5 FEBDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000301087640 553620488 /nfs/dbraw/zinc/62/04/88/553620488.db2.gz NGDBSFWDTHOPBI-HOTGVXAUSA-N 1 2 360.458 2.412 20 5 FEBDLO O=[N+]([O-])c1cc(F)c(Nc2cnn(CC[NH+]3CCOCC3)c2)c(F)c1 ZINC000301763791 553677624 /nfs/dbraw/zinc/67/76/24/553677624.db2.gz CKUYRTJPDNENBC-UHFFFAOYSA-N 1 2 353.329 2.145 20 5 FEBDLO NC(=O)C1CCN(c2[nH+]cccc2CNc2sccc2[N+](=O)[O-])CC1 ZINC000301930119 553692453 /nfs/dbraw/zinc/69/24/53/553692453.db2.gz KFBSNBZEPXLGIN-UHFFFAOYSA-N 1 2 361.427 2.365 20 5 FEBDLO C[N@H+](CC(N)=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506449739 561699235 /nfs/dbraw/zinc/69/92/35/561699235.db2.gz ALWHFXGHIJNHPF-UHFFFAOYSA-N 1 2 365.393 2.365 20 5 FEBDLO C[N@@H+](CC(N)=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506449739 561699236 /nfs/dbraw/zinc/69/92/36/561699236.db2.gz ALWHFXGHIJNHPF-UHFFFAOYSA-N 1 2 365.393 2.365 20 5 FEBDLO CCc1cc(NC[C@H](O)COCC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000506962841 561712805 /nfs/dbraw/zinc/71/28/05/561712805.db2.gz XSKXRLMBZCUHKB-KRWDZBQOSA-N 1 2 374.441 2.482 20 5 FEBDLO C[NH+]1CCN(C(=O)CSc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000330503774 554130702 /nfs/dbraw/zinc/13/07/02/554130702.db2.gz CYFDUSJKUSEKEL-UHFFFAOYSA-N 1 2 374.260 2.223 20 5 FEBDLO Cc1n[nH]c(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000330652796 554151188 /nfs/dbraw/zinc/15/11/88/554151188.db2.gz JAJXPMJOVYFWNQ-GFCCVEGCSA-N 1 2 361.377 2.284 20 5 FEBDLO Cc1[nH]nc(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000330652796 554151190 /nfs/dbraw/zinc/15/11/90/554151190.db2.gz JAJXPMJOVYFWNQ-GFCCVEGCSA-N 1 2 361.377 2.284 20 5 FEBDLO CC(C)c1n[nH]c(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000331563584 554285881 /nfs/dbraw/zinc/28/58/81/554285881.db2.gz JNGOKTGPGQSCEZ-ZDUSSCGKSA-N 1 2 361.377 2.367 20 5 FEBDLO CC(C)c1[nH]nc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000331563584 554285882 /nfs/dbraw/zinc/28/58/82/554285882.db2.gz JNGOKTGPGQSCEZ-ZDUSSCGKSA-N 1 2 361.377 2.367 20 5 FEBDLO Cc1ccc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000510381631 561832882 /nfs/dbraw/zinc/83/28/82/561832882.db2.gz RYQCDLVJTUZIQM-CQSZACIVSA-N 1 2 350.400 2.066 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000511103872 561857115 /nfs/dbraw/zinc/85/71/15/561857115.db2.gz CVLSRLYOPOXBHZ-UHFFFAOYSA-N 1 2 355.398 2.365 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000511103872 561857116 /nfs/dbraw/zinc/85/71/16/561857116.db2.gz CVLSRLYOPOXBHZ-UHFFFAOYSA-N 1 2 355.398 2.365 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c([N+](=O)[O-])c1 ZINC000363015002 555010738 /nfs/dbraw/zinc/01/07/38/555010738.db2.gz SMINNVYYPSHZAK-CYBMUJFWSA-N 1 2 371.397 2.212 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3ccncn3)C2)c([N+](=O)[O-])c1 ZINC000363015002 555010740 /nfs/dbraw/zinc/01/07/40/555010740.db2.gz SMINNVYYPSHZAK-CYBMUJFWSA-N 1 2 371.397 2.212 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(NC(=O)C2CCC2)CC1 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/nfs/dbraw/zinc/89/64/42/561896442.db2.gz SDFLJGKDYAUKDM-APHBMKBZSA-N 1 2 368.430 2.220 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000364682684 555373857 /nfs/dbraw/zinc/37/38/57/555373857.db2.gz QCOVTCCRNYNMEK-HZPDHXFCSA-N 1 2 369.381 2.185 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512838445 561917454 /nfs/dbraw/zinc/91/74/54/561917454.db2.gz CSYPBTPKEDUSFL-JTQLQIEISA-N 1 2 359.329 2.103 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000512838445 561917455 /nfs/dbraw/zinc/91/74/55/561917455.db2.gz CSYPBTPKEDUSFL-JTQLQIEISA-N 1 2 359.329 2.103 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCC([C@H]3CCOC3)CC2)cc1 ZINC000365033613 555469433 /nfs/dbraw/zinc/46/94/33/555469433.db2.gz AKERHTWTZZGYLC-HNNXBMFYSA-N 1 2 368.455 2.117 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512844232 561917773 /nfs/dbraw/zinc/91/77/73/561917773.db2.gz MHDBNXYIEQUOKP-LLVKDONJSA-N 1 2 373.356 2.493 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512844232 561917774 /nfs/dbraw/zinc/91/77/74/561917774.db2.gz MHDBNXYIEQUOKP-LLVKDONJSA-N 1 2 373.356 2.493 20 5 FEBDLO Cc1cc(C2=CC[N@H+](Cc3nnnn3C(C)C)CC2)cc([N+](=O)[O-])c1N ZINC000365883985 555692284 /nfs/dbraw/zinc/69/22/84/555692284.db2.gz HAHLSQYIENUYBJ-UHFFFAOYSA-N 1 2 357.418 2.342 20 5 FEBDLO Cc1cc(C2=CC[N@@H+](Cc3nnnn3C(C)C)CC2)cc([N+](=O)[O-])c1N ZINC000365883985 555692287 /nfs/dbraw/zinc/69/22/87/555692287.db2.gz HAHLSQYIENUYBJ-UHFFFAOYSA-N 1 2 357.418 2.342 20 5 FEBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000366151483 555766490 /nfs/dbraw/zinc/76/64/90/555766490.db2.gz LCPHTIKMEIDIQV-VIFPVBQESA-N 1 2 352.753 2.327 20 5 FEBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000366151483 555766492 /nfs/dbraw/zinc/76/64/92/555766492.db2.gz LCPHTIKMEIDIQV-VIFPVBQESA-N 1 2 352.753 2.327 20 5 FEBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000366286001 555801780 /nfs/dbraw/zinc/80/17/80/555801780.db2.gz RCTALQGDXDCNDQ-GDBMZVCRSA-N 1 2 351.359 2.273 20 5 FEBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000366286001 555801784 /nfs/dbraw/zinc/80/17/84/555801784.db2.gz RCTALQGDXDCNDQ-GDBMZVCRSA-N 1 2 351.359 2.273 20 5 FEBDLO CCN1CCN(c2cc3[nH]c(=O)oc3cc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000366503656 555862221 /nfs/dbraw/zinc/86/22/21/555862221.db2.gz FPNQXNFTZXETKN-ZDUSSCGKSA-N 1 2 358.358 2.048 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000367348273 556024165 /nfs/dbraw/zinc/02/41/65/556024165.db2.gz GYKKXLSIEZWHDV-SOLBZPMBSA-N 1 2 369.425 2.161 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000367348272 556024321 /nfs/dbraw/zinc/02/43/21/556024321.db2.gz GYKKXLSIEZWHDV-LZLYRXPVSA-N 1 2 369.425 2.161 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[NH2+][C@H](c3cccnc3)C2)c1 ZINC000367631867 556101491 /nfs/dbraw/zinc/10/14/91/556101491.db2.gz CAOBKRZYEDNZDU-INIZCTEOSA-N 1 2 370.409 2.240 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@H]4CCOC[C@H]43)o2)c1 ZINC000367769697 556134727 /nfs/dbraw/zinc/13/47/27/556134727.db2.gz DXDKBIPZAWPPPM-CVEARBPZSA-N 1 2 359.382 2.282 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@H]4CCOC[C@H]43)o2)c1 ZINC000367769697 556134728 /nfs/dbraw/zinc/13/47/28/556134728.db2.gz DXDKBIPZAWPPPM-CVEARBPZSA-N 1 2 359.382 2.282 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@@H]4CCOC[C@@H]43)o2)c1 ZINC000367769703 556134811 /nfs/dbraw/zinc/13/48/11/556134811.db2.gz DXDKBIPZAWPPPM-JKSUJKDBSA-N 1 2 359.382 2.282 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@@H]4CCOC[C@@H]43)o2)c1 ZINC000367769703 556134813 /nfs/dbraw/zinc/13/48/13/556134813.db2.gz DXDKBIPZAWPPPM-JKSUJKDBSA-N 1 2 359.382 2.282 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000368070914 556210469 /nfs/dbraw/zinc/21/04/69/556210469.db2.gz DWASGCDTOHHKAG-NVXWUHKLSA-N 1 2 363.414 2.431 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000368070914 556210471 /nfs/dbraw/zinc/21/04/71/556210471.db2.gz DWASGCDTOHHKAG-NVXWUHKLSA-N 1 2 363.414 2.431 20 5 FEBDLO Cc1ccccc1C(=O)NC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000370034888 556763058 /nfs/dbraw/zinc/76/30/58/556763058.db2.gz BCKRKWDQXQFQNS-UHFFFAOYSA-N 1 2 357.414 2.031 20 5 FEBDLO O=C(c1ccc[nH]1)N1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000370236696 556818557 /nfs/dbraw/zinc/81/85/57/556818557.db2.gz QMFSPAXOINWQNA-UHFFFAOYSA-N 1 2 369.381 2.412 20 5 FEBDLO O=C(c1ccc[nH]1)N1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000370236696 556818559 /nfs/dbraw/zinc/81/85/59/556818559.db2.gz QMFSPAXOINWQNA-UHFFFAOYSA-N 1 2 369.381 2.412 20 5 FEBDLO COc1ccccc1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1[nH+]ccn1C ZINC000370540301 556903864 /nfs/dbraw/zinc/90/38/64/556903864.db2.gz RLYHWWREAOPBEV-MRXNPFEDSA-N 1 2 367.365 2.251 20 5 FEBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@H]2C1 ZINC000371062217 557062808 /nfs/dbraw/zinc/06/28/08/557062808.db2.gz BEDKXGUMXKMRIZ-IKGGRYGDSA-N 1 2 364.398 2.230 20 5 FEBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@H]2C1 ZINC000371062217 557062810 /nfs/dbraw/zinc/06/28/10/557062810.db2.gz BEDKXGUMXKMRIZ-IKGGRYGDSA-N 1 2 364.398 2.230 20 5 FEBDLO Cc1nc(N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC000517216599 562079889 /nfs/dbraw/zinc/07/98/89/562079889.db2.gz KIYFMFBZDOBIID-YOEHRIQHSA-N 1 2 357.414 2.395 20 5 FEBDLO Cc1nc(N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC000517216599 562079890 /nfs/dbraw/zinc/07/98/90/562079890.db2.gz KIYFMFBZDOBIID-YOEHRIQHSA-N 1 2 357.414 2.395 20 5 FEBDLO Cc1cc(C[NH+]2CCC(N(C)C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)on1 ZINC000372246436 557420554 /nfs/dbraw/zinc/42/05/54/557420554.db2.gz DCMWTKCXWZZQHD-UHFFFAOYSA-N 1 2 374.397 2.333 20 5 FEBDLO O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1[nH]ncc1[N+](=O)[O-] ZINC000519772999 562143482 /nfs/dbraw/zinc/14/34/82/562143482.db2.gz HTNYVMOTFPEYGX-CYBMUJFWSA-N 1 2 355.354 2.172 20 5 FEBDLO O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1n[nH]cc1[N+](=O)[O-] ZINC000519772999 562143483 /nfs/dbraw/zinc/14/34/83/562143483.db2.gz HTNYVMOTFPEYGX-CYBMUJFWSA-N 1 2 355.354 2.172 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)N1CCc2ccccc21 ZINC000373566038 557719305 /nfs/dbraw/zinc/71/93/05/557719305.db2.gz GUMYQXYZKZNDET-OAHLLOKOSA-N 1 2 355.398 2.018 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)N1CCc2ccccc21 ZINC000373566038 557719306 /nfs/dbraw/zinc/71/93/06/557719306.db2.gz GUMYQXYZKZNDET-OAHLLOKOSA-N 1 2 355.398 2.018 20 5 FEBDLO CC[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@]2(CCOC2)O1 ZINC000373811015 557764236 /nfs/dbraw/zinc/76/42/36/557764236.db2.gz LBNOPGCCYBJGRH-YJBOKZPZSA-N 1 2 374.397 2.415 20 5 FEBDLO CC[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@]2(CCOC2)O1 ZINC000373811015 557764237 /nfs/dbraw/zinc/76/42/37/557764237.db2.gz LBNOPGCCYBJGRH-YJBOKZPZSA-N 1 2 374.397 2.415 20 5 FEBDLO CCc1n[nH]c(C(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000374868572 557943478 /nfs/dbraw/zinc/94/34/78/557943478.db2.gz MCKBCOBMSVQWJZ-ZDUSSCGKSA-N 1 2 363.805 2.320 20 5 FEBDLO CCc1[nH]nc(C(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000374868572 557943480 /nfs/dbraw/zinc/94/34/80/557943480.db2.gz MCKBCOBMSVQWJZ-ZDUSSCGKSA-N 1 2 363.805 2.320 20 5 FEBDLO Cc1nc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000375764480 558079017 /nfs/dbraw/zinc/07/90/17/558079017.db2.gz NEIFUTRUZUQLAY-YPMHNXCESA-N 1 2 359.386 2.493 20 5 FEBDLO Cc1nc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000375764480 558079019 /nfs/dbraw/zinc/07/90/19/558079019.db2.gz NEIFUTRUZUQLAY-YPMHNXCESA-N 1 2 359.386 2.493 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000375764478 558079155 /nfs/dbraw/zinc/07/91/55/558079155.db2.gz NEIFUTRUZUQLAY-DGCLKSJQSA-N 1 2 359.386 2.493 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000375764478 558079156 /nfs/dbraw/zinc/07/91/56/558079156.db2.gz NEIFUTRUZUQLAY-DGCLKSJQSA-N 1 2 359.386 2.493 20 5 FEBDLO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000375892105 558094946 /nfs/dbraw/zinc/09/49/46/558094946.db2.gz SXZNRQVUADYPCB-UHFFFAOYSA-N 1 2 364.365 2.345 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@]2(CCCOC2)O1 ZINC000376019894 558114861 /nfs/dbraw/zinc/11/48/61/558114861.db2.gz CIZDUQYTHUCKKQ-ACJLOTCBSA-N 1 2 374.397 2.415 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@]2(CCCOC2)O1 ZINC000376019894 558114862 /nfs/dbraw/zinc/11/48/62/558114862.db2.gz CIZDUQYTHUCKKQ-ACJLOTCBSA-N 1 2 374.397 2.415 20 5 FEBDLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000376604077 558196572 /nfs/dbraw/zinc/19/65/72/558196572.db2.gz KYRCZFCIFCOKJA-HZPDHXFCSA-N 1 2 351.378 2.107 20 5 FEBDLO O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000377442345 558341636 /nfs/dbraw/zinc/34/16/36/558341636.db2.gz WELUURTUSWMHJG-GJZGRUSLSA-N 1 2 371.359 2.451 20 5 FEBDLO NS(=O)(=O)c1c(NCc2cccc(-n3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000522402560 562197997 /nfs/dbraw/zinc/19/79/97/562197997.db2.gz ZZKHSZZSDVAVMK-UHFFFAOYSA-N 1 2 373.394 2.040 20 5 FEBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1[nH+]ccn1CC(F)(F)F ZINC000524405444 562228041 /nfs/dbraw/zinc/22/80/41/562228041.db2.gz RQQBORAXADPSNH-UHFFFAOYSA-N 1 2 371.319 2.396 20 5 FEBDLO COC(=O)[C@@H]1CSCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000412071737 559009738 /nfs/dbraw/zinc/00/97/38/559009738.db2.gz JPZGSGCGUVAWJR-NSHDSACASA-N 1 2 358.391 2.081 20 5 FEBDLO COC(=O)[C@@H]1CSCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000412071737 559009739 /nfs/dbraw/zinc/00/97/39/559009739.db2.gz JPZGSGCGUVAWJR-NSHDSACASA-N 1 2 358.391 2.081 20 5 FEBDLO CC(C)Oc1cc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000412296597 559025809 /nfs/dbraw/zinc/02/58/09/559025809.db2.gz BUPHCUVADVVXNN-AWEZNQCLSA-N 1 2 365.430 2.175 20 5 FEBDLO C[C@@H](O)[C@H]1CCN(c2cc(NCCNc3ccccc3[N+](=O)[O-])[nH+]cn2)C1 ZINC000413044048 559072067 /nfs/dbraw/zinc/07/20/67/559072067.db2.gz WXCDSJCCMQDAKO-KGLIPLIRSA-N 1 2 372.429 2.116 20 5 FEBDLO C[C@@H](O)[C@H]1CCN(c2cc(NCCNc3ccccc3[N+](=O)[O-])nc[nH+]2)C1 ZINC000413044048 559072068 /nfs/dbraw/zinc/07/20/68/559072068.db2.gz WXCDSJCCMQDAKO-KGLIPLIRSA-N 1 2 372.429 2.116 20 5 FEBDLO C[C@H](O)[C@@H]1CCN(c2cc(NCCc3ccccc3[N+](=O)[O-])[nH+]cn2)C1 ZINC000413168376 559085061 /nfs/dbraw/zinc/08/50/61/559085061.db2.gz KOPVFZRZKDWBKL-DZGCQCFKSA-N 1 2 357.414 2.247 20 5 FEBDLO C[C@H](O)[C@@H]1CCN(c2cc(NCCc3ccccc3[N+](=O)[O-])nc[nH+]2)C1 ZINC000413168376 559085062 /nfs/dbraw/zinc/08/50/62/559085062.db2.gz KOPVFZRZKDWBKL-DZGCQCFKSA-N 1 2 357.414 2.247 20 5 FEBDLO CCc1cc(NC[C@]2(C)CCC(=O)N2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413346377 559100633 /nfs/dbraw/zinc/10/06/33/559100633.db2.gz WFXCHFCJKSYLFF-SFHVURJKSA-N 1 2 355.398 2.117 20 5 FEBDLO CCc1cc(NCCc2cn(C)c[nH+]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000413381774 559103440 /nfs/dbraw/zinc/10/34/40/559103440.db2.gz LBZHXVKLBZDVBM-UHFFFAOYSA-N 1 2 352.398 2.424 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCO[C@@H](C2CCC2)C1 ZINC000413475955 559110639 /nfs/dbraw/zinc/11/06/39/559110639.db2.gz LJNVOQVLNSFDHZ-LJQANCHMSA-N 1 2 361.442 2.432 20 5 FEBDLO COC(=O)COc1ccc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000414471277 559167067 /nfs/dbraw/zinc/16/70/67/559167067.db2.gz LCZQYMPAEAVFSG-QGZVFWFLSA-N 1 2 364.398 2.148 20 5 FEBDLO COC(=O)COc1ccc(C[N@H+]2CCO[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000414471277 559167068 /nfs/dbraw/zinc/16/70/68/559167068.db2.gz LCZQYMPAEAVFSG-QGZVFWFLSA-N 1 2 364.398 2.148 20 5 FEBDLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000416302693 559304291 /nfs/dbraw/zinc/30/42/91/559304291.db2.gz WWFIKXVHUZLCTB-NWDGAFQWSA-N 1 2 363.439 2.337 20 5 FEBDLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000416302693 559304292 /nfs/dbraw/zinc/30/42/92/559304292.db2.gz WWFIKXVHUZLCTB-NWDGAFQWSA-N 1 2 363.439 2.337 20 5 FEBDLO CCCN1C[C@@H](CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1=O ZINC000420653834 559495622 /nfs/dbraw/zinc/49/56/22/559495622.db2.gz PBPKPRYVPYWROV-CQSZACIVSA-N 1 2 369.425 2.453 20 5 FEBDLO O=[N+]([O-])c1ccc(OCc2cccc(C[NH+]3CCOCC3)c2)cc1CO ZINC000421221429 559531721 /nfs/dbraw/zinc/53/17/21/559531721.db2.gz ZHWIIBYGUKQUOQ-UHFFFAOYSA-N 1 2 358.394 2.498 20 5 FEBDLO Cc1c(Cl)c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1C ZINC000421318926 559539043 /nfs/dbraw/zinc/53/90/43/559539043.db2.gz IZQBNCDBTSRAFU-LLVKDONJSA-N 1 2 350.810 2.372 20 5 FEBDLO Cc1c(Cl)c(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1C ZINC000421318926 559539044 /nfs/dbraw/zinc/53/90/44/559539044.db2.gz IZQBNCDBTSRAFU-LLVKDONJSA-N 1 2 350.810 2.372 20 5 FEBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421919901 559556666 /nfs/dbraw/zinc/55/66/66/559556666.db2.gz NFAXYJBZZKYPMK-AWEZNQCLSA-N 1 2 360.418 2.155 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H](CCO)CC1 ZINC000422061156 559563376 /nfs/dbraw/zinc/56/33/76/559563376.db2.gz FCZUXYSTCVEOPT-CQSZACIVSA-N 1 2 358.398 2.405 20 5 FEBDLO COc1ccc(CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000428475651 559776296 /nfs/dbraw/zinc/77/62/96/559776296.db2.gz ADPGFXJKPVQHNH-UHFFFAOYSA-N 1 2 373.413 2.478 20 5 FEBDLO O=[N+]([O-])c1cccc(Cl)c1NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000432336982 559856741 /nfs/dbraw/zinc/85/67/41/559856741.db2.gz PUKUBPXEUKVDAQ-UHFFFAOYSA-N 1 2 362.821 2.272 20 5 FEBDLO CC[C@@H](NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000434305729 559897637 /nfs/dbraw/zinc/89/76/37/559897637.db2.gz DNOOHMOHHTVKOH-RHSMWYFYSA-N 1 2 364.446 2.408 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCOc3c(F)cccc3C2)c1 ZINC000434612942 559903626 /nfs/dbraw/zinc/90/36/26/559903626.db2.gz YEECTPHAUGEKRZ-OAHLLOKOSA-N 1 2 362.357 2.368 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCOc3c(F)cccc3C2)c1 ZINC000434612942 559903627 /nfs/dbraw/zinc/90/36/27/559903627.db2.gz YEECTPHAUGEKRZ-OAHLLOKOSA-N 1 2 362.357 2.368 20 5 FEBDLO COc1cc(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)cc([N+](=O)[O-])c1OC ZINC000438185707 559975263 /nfs/dbraw/zinc/97/52/63/559975263.db2.gz DCANLSXPFSCFQF-NSHDSACASA-N 1 2 360.370 2.116 20 5 FEBDLO NC(=O)c1cccc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000439107702 559988718 /nfs/dbraw/zinc/98/87/18/559988718.db2.gz PYANQNHJALQNMD-KRWDZBQOSA-N 1 2 370.409 2.179 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)n1 ZINC000440644639 560015296 /nfs/dbraw/zinc/01/52/96/560015296.db2.gz VCPSDDUGONYQMS-KRWDZBQOSA-N 1 2 350.419 2.198 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443708306 560090955 /nfs/dbraw/zinc/09/09/55/560090955.db2.gz UAXJLUQXPKXAAS-UHFFFAOYSA-N 1 2 374.422 2.373 20 5 FEBDLO CSc1cccc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000447655896 560165964 /nfs/dbraw/zinc/16/59/64/560165964.db2.gz GUGCHOJCSUGTHZ-GFCCVEGCSA-N 1 2 353.444 2.109 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCOCC2(CCC2)C1 ZINC000447814963 560169885 /nfs/dbraw/zinc/16/98/85/560169885.db2.gz CEGIBQQVGRIVMS-UHFFFAOYSA-N 1 2 361.442 2.434 20 5 FEBDLO COc1cccc(CCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])n1 ZINC000447813530 560169981 /nfs/dbraw/zinc/16/99/81/560169981.db2.gz WLQFQGSADVPYDQ-UHFFFAOYSA-N 1 2 372.425 2.485 20 5 FEBDLO Cc1nc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)no1 ZINC000448856350 560202991 /nfs/dbraw/zinc/20/29/91/560202991.db2.gz LETAEHMELRZQEL-UHFFFAOYSA-N 1 2 356.342 2.137 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H](n2cccn2)C1 ZINC000448870534 560204077 /nfs/dbraw/zinc/20/40/77/560204077.db2.gz QSZVSXKUNZVKBR-OAHLLOKOSA-N 1 2 366.381 2.454 20 5 FEBDLO CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450469248 560263198 /nfs/dbraw/zinc/26/31/98/560263198.db2.gz PHGQLJLQOYBQHB-WMLDXEAASA-N 1 2 358.398 2.404 20 5 FEBDLO CCO[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000451546479 560313942 /nfs/dbraw/zinc/31/39/42/560313942.db2.gz SDQXUNGHMASWAA-DOMZBBRYSA-N 1 2 351.403 2.289 20 5 FEBDLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000451546479 560313943 /nfs/dbraw/zinc/31/39/43/560313943.db2.gz SDQXUNGHMASWAA-DOMZBBRYSA-N 1 2 351.403 2.289 20 5 FEBDLO Cc1noc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000451731105 560325291 /nfs/dbraw/zinc/32/52/91/560325291.db2.gz QMOWBZRISFHILC-AWEZNQCLSA-N 1 2 368.353 2.449 20 5 FEBDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000451938380 560339321 /nfs/dbraw/zinc/33/93/21/560339321.db2.gz WZHIULBGPFWWTD-GFCCVEGCSA-N 1 2 352.416 2.468 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000451949786 560340157 /nfs/dbraw/zinc/34/01/57/560340157.db2.gz YRJATFXVCSRDSH-ZYHUDNBSSA-N 1 2 350.400 2.392 20 5 FEBDLO COc1c(F)cc(S(=O)(=O)NCc2c[nH+]c(C)cc2C)cc1[N+](=O)[O-] ZINC000452044391 560347548 /nfs/dbraw/zinc/34/75/48/560347548.db2.gz RJJZBFXHYVCDRA-UHFFFAOYSA-N 1 2 369.374 2.233 20 5 FEBDLO CCOc1cccc(C[N@H+](CCO)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000452047021 560347664 /nfs/dbraw/zinc/34/76/64/560347664.db2.gz MOAXSXHAXZFYAH-UHFFFAOYSA-N 1 2 373.409 2.087 20 5 FEBDLO CCOc1cccc(C[N@@H+](CCO)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000452047021 560347665 /nfs/dbraw/zinc/34/76/65/560347665.db2.gz MOAXSXHAXZFYAH-UHFFFAOYSA-N 1 2 373.409 2.087 20 5 FEBDLO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c2[nH+]ccn21 ZINC000455492171 560484470 /nfs/dbraw/zinc/48/44/70/560484470.db2.gz XRGNGBRFVUCLNI-CZUORRHYSA-N 1 2 370.413 2.329 20 5 FEBDLO CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459503204 560690602 /nfs/dbraw/zinc/69/06/02/560690602.db2.gz GJJPGHSPLLYOII-OAHLLOKOSA-N 1 2 363.462 2.005 20 5 FEBDLO O=C(CC[N@@H+]1CCN(c2ccccc2)C(=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000462445103 560810249 /nfs/dbraw/zinc/81/02/49/560810249.db2.gz BJQGUAWDCIMSTI-UHFFFAOYSA-N 1 2 368.393 2.272 20 5 FEBDLO O=C(CC[N@H+]1CCN(c2ccccc2)C(=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000462445103 560810250 /nfs/dbraw/zinc/81/02/50/560810250.db2.gz BJQGUAWDCIMSTI-UHFFFAOYSA-N 1 2 368.393 2.272 20 5 FEBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463888040 560827873 /nfs/dbraw/zinc/82/78/73/560827873.db2.gz LUVTTZIWQXFIKP-JTQLQIEISA-N 1 2 361.320 2.064 20 5 FEBDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463888040 560827874 /nfs/dbraw/zinc/82/78/74/560827874.db2.gz LUVTTZIWQXFIKP-JTQLQIEISA-N 1 2 361.320 2.064 20 5 FEBDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000468687730 560936133 /nfs/dbraw/zinc/93/61/33/560936133.db2.gz LIPDWPRPFBXFQI-GFCCVEGCSA-N 1 2 361.427 2.222 20 5 FEBDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000468687730 560936134 /nfs/dbraw/zinc/93/61/34/560936134.db2.gz LIPDWPRPFBXFQI-GFCCVEGCSA-N 1 2 361.427 2.222 20 5 FEBDLO CCN1CCN(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000474771932 561082406 /nfs/dbraw/zinc/08/24/06/561082406.db2.gz WGIRCRMTRSWNKT-BBRMVZONSA-N 1 2 372.429 2.467 20 5 FEBDLO CC(C)OC1CC[NH+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000530923453 562428692 /nfs/dbraw/zinc/42/86/92/562428692.db2.gz DQPIYAAMSPEJLG-MRXNPFEDSA-N 1 2 361.398 2.116 20 5 FEBDLO COc1ccc(NC(=O)C[NH+]2CCC(OC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000532632585 562483932 /nfs/dbraw/zinc/48/39/32/562483932.db2.gz MZJANTNXHDRBGU-UHFFFAOYSA-N 1 2 351.403 2.431 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000533228934 562502215 /nfs/dbraw/zinc/50/22/15/562502215.db2.gz JVVOYFCJCAJUKO-UHFFFAOYSA-N 1 2 369.425 2.055 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000533417689 562508057 /nfs/dbraw/zinc/50/80/57/562508057.db2.gz JQXQHUBEMFBCRM-SMDDNHRTSA-N 1 2 361.320 2.229 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000533417689 562508058 /nfs/dbraw/zinc/50/80/58/562508058.db2.gz JQXQHUBEMFBCRM-SMDDNHRTSA-N 1 2 361.320 2.229 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000541821072 562620441 /nfs/dbraw/zinc/62/04/41/562620441.db2.gz KFSSKZDHLWXVDU-CQSZACIVSA-N 1 2 367.427 2.386 20 5 FEBDLO CC1(C[NH+]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCC1 ZINC000556122785 674388792 /nfs/dbraw/zinc/38/87/92/674388792.db2.gz FBFXBCGOEYHKJZ-UHFFFAOYSA-N 1 2 353.444 2.091 20 5 FEBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000808767067 674471547 /nfs/dbraw/zinc/47/15/47/674471547.db2.gz PFYIKHOJVBWROO-GFCCVEGCSA-N 1 2 371.434 2.028 20 5 FEBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000808767067 674471549 /nfs/dbraw/zinc/47/15/49/674471549.db2.gz PFYIKHOJVBWROO-GFCCVEGCSA-N 1 2 371.434 2.028 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCC[NH+]2CCCC2)c1Cl ZINC000829804619 677013624 /nfs/dbraw/zinc/01/36/24/677013624.db2.gz IGDBQHYGCZOMSP-UHFFFAOYSA-N 1 2 368.242 2.276 20 5 FEBDLO C[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CC(O)C1 ZINC000558499831 674500214 /nfs/dbraw/zinc/50/02/14/674500214.db2.gz KGKOIMRKIVZHHK-UHFFFAOYSA-N 1 2 362.411 2.112 20 5 FEBDLO C[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CC(O)C1 ZINC000558499831 674500216 /nfs/dbraw/zinc/50/02/16/674500216.db2.gz KGKOIMRKIVZHHK-UHFFFAOYSA-N 1 2 362.411 2.112 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[C@@H](CNc3cccc[nH+]3)C2)cc1-c1nn[nH]n1 ZINC000826498110 607841403 /nfs/dbraw/zinc/84/14/03/607841403.db2.gz HTSLTWFUKPFICV-LBPRGKRZSA-N 1 2 366.385 2.108 20 5 FEBDLO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000826167817 608352157 /nfs/dbraw/zinc/35/21/57/608352157.db2.gz RUKKMCJHSJFBQH-UHFFFAOYSA-N 1 2 354.370 2.416 20 5 FEBDLO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000826167817 608352159 /nfs/dbraw/zinc/35/21/59/608352159.db2.gz RUKKMCJHSJFBQH-UHFFFAOYSA-N 1 2 354.370 2.416 20 5 FEBDLO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000054549237 670339173 /nfs/dbraw/zinc/33/91/73/670339173.db2.gz MTPFNYZQRDOTJR-NSHDSACASA-N 1 2 364.793 2.148 20 5 FEBDLO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000054549237 670339176 /nfs/dbraw/zinc/33/91/76/670339176.db2.gz MTPFNYZQRDOTJR-NSHDSACASA-N 1 2 364.793 2.148 20 5 FEBDLO CN(CC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1)C(=O)OC(C)(C)C ZINC000103462511 670783768 /nfs/dbraw/zinc/78/37/68/670783768.db2.gz KFRWDQFIEUJPDC-UHFFFAOYSA-N 1 2 353.423 2.328 20 5 FEBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCN1CCCC1=O ZINC000112995201 670880123 /nfs/dbraw/zinc/88/01/23/670880123.db2.gz CBSZWTZECHDFAD-NSHDSACASA-N 1 2 368.821 2.129 20 5 FEBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCN1CCCC1=O ZINC000112995201 670880128 /nfs/dbraw/zinc/88/01/28/670880128.db2.gz CBSZWTZECHDFAD-NSHDSACASA-N 1 2 368.821 2.129 20 5 FEBDLO COCCOC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000116885645 670909546 /nfs/dbraw/zinc/90/95/46/670909546.db2.gz BFPVBLGKDCAHRM-UHFFFAOYSA-N 1 2 371.821 2.314 20 5 FEBDLO C[C@H](CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[S@](C)=O ZINC000581087421 671862140 /nfs/dbraw/zinc/86/21/40/671862140.db2.gz LXHRWACCKGEWSN-PIQRMGSASA-N 1 2 350.444 2.164 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000582085690 671966441 /nfs/dbraw/zinc/96/64/41/671966441.db2.gz SFQPIRWWZHPEMH-JTQLQIEISA-N 1 2 350.325 2.165 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H]1O ZINC000589258071 672517856 /nfs/dbraw/zinc/51/78/56/672517856.db2.gz WCYIUJSVBPLYRJ-PRHODGIISA-N 1 2 362.167 2.012 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H]1O ZINC000589258071 672517858 /nfs/dbraw/zinc/51/78/58/672517858.db2.gz WCYIUJSVBPLYRJ-PRHODGIISA-N 1 2 362.167 2.012 20 5 FEBDLO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC(O)(C(F)(F)F)CC1)OCCO2 ZINC000611564092 676044414 /nfs/dbraw/zinc/04/44/14/676044414.db2.gz ZQRDXDXILBOAGC-UHFFFAOYSA-N 1 2 362.304 2.255 20 5 FEBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594107078 673032029 /nfs/dbraw/zinc/03/20/29/673032029.db2.gz DUTROFCZDHOPLK-UTUOFQBUSA-N 1 2 355.822 2.476 20 5 FEBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594107078 673032037 /nfs/dbraw/zinc/03/20/37/673032037.db2.gz DUTROFCZDHOPLK-UTUOFQBUSA-N 1 2 355.822 2.476 20 5 FEBDLO Cc1sc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000613475567 676130763 /nfs/dbraw/zinc/13/07/63/676130763.db2.gz HIBCREMJMXJFTB-NSHDSACASA-N 1 2 356.429 2.187 20 5 FEBDLO CC[C@@H](CO)[NH+]1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596143151 673362898 /nfs/dbraw/zinc/36/28/98/673362898.db2.gz XZOKZKKTLAYUHH-NSHDSACASA-N 1 2 358.236 2.250 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000542799222 673606665 /nfs/dbraw/zinc/60/66/65/673606665.db2.gz RGQKGJWYUAEGJA-UHFFFAOYSA-N 1 2 352.416 2.112 20 5 FEBDLO C[C@]1(CO)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@]1(C)CO ZINC000600203470 673748674 /nfs/dbraw/zinc/74/86/74/673748674.db2.gz JXUCUHVLZXBRPM-IYBDPMFKSA-N 1 2 360.357 2.009 20 5 FEBDLO C[C@]1(CO)C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@]1(C)CO ZINC000600203470 673748677 /nfs/dbraw/zinc/74/86/77/673748677.db2.gz JXUCUHVLZXBRPM-IYBDPMFKSA-N 1 2 360.357 2.009 20 5 FEBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000602837948 673911801 /nfs/dbraw/zinc/91/18/01/673911801.db2.gz DMUUSTLNXMAIMG-STQMWFEESA-N 1 2 351.451 2.067 20 5 FEBDLO C[C@H]1C[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)CO1 ZINC000820827952 675391891 /nfs/dbraw/zinc/39/18/91/675391891.db2.gz QCWVDSMUPVFBEK-QWRGUYRKSA-N 1 2 356.810 2.479 20 5 FEBDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)CO1 ZINC000820827952 675391894 /nfs/dbraw/zinc/39/18/94/675391894.db2.gz QCWVDSMUPVFBEK-QWRGUYRKSA-N 1 2 356.810 2.479 20 5 FEBDLO COC(=O)COc1ccc(C[NH2+]Cc2csc(C)n2)cc1[N+](=O)[O-] ZINC000616089462 676239272 /nfs/dbraw/zinc/23/92/72/676239272.db2.gz MDLTWBPFWRPMJS-UHFFFAOYSA-N 1 2 351.384 2.201 20 5 FEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](n3cncn3)C2)c1Br ZINC000839563970 680762015 /nfs/dbraw/zinc/76/20/15/680762015.db2.gz LRPNSBKDUPOZEX-NSHDSACASA-N 1 2 352.192 2.396 20 5 FEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](n3cncn3)C2)c1Br ZINC000839563970 680762017 /nfs/dbraw/zinc/76/20/17/680762017.db2.gz LRPNSBKDUPOZEX-NSHDSACASA-N 1 2 352.192 2.396 20 5 FEBDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000839720188 680774280 /nfs/dbraw/zinc/77/42/80/680774280.db2.gz IRWBHNVPGDLFSV-MPESAESLSA-N 1 2 353.369 2.270 20 5 FEBDLO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000839720188 680774282 /nfs/dbraw/zinc/77/42/82/680774282.db2.gz IRWBHNVPGDLFSV-MPESAESLSA-N 1 2 353.369 2.270 20 5 FEBDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2cccc([N+](=O)[O-])c2Br)C1 ZINC000840235861 680809283 /nfs/dbraw/zinc/80/92/83/680809283.db2.gz XVTMYJRKOWJJRC-LBPRGKRZSA-N 1 2 373.203 2.121 20 5 FEBDLO CC[N@H+]1CCO[C@H](C(=O)OCc2cccc([N+](=O)[O-])c2Br)C1 ZINC000840235861 680809286 /nfs/dbraw/zinc/80/92/86/680809286.db2.gz XVTMYJRKOWJJRC-LBPRGKRZSA-N 1 2 373.203 2.121 20 5 FEBDLO COC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000749466999 680052648 /nfs/dbraw/zinc/05/26/48/680052648.db2.gz ZRPQDWDCOTXQNN-NSHDSACASA-N 1 2 355.778 2.214 20 5 FEBDLO COC(=O)C[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000749466999 680052652 /nfs/dbraw/zinc/05/26/52/680052652.db2.gz ZRPQDWDCOTXQNN-NSHDSACASA-N 1 2 355.778 2.214 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C[NH+](Cc3cccc(Cl)c3)C2)CC1 ZINC001035704424 680450994 /nfs/dbraw/zinc/45/09/94/680450994.db2.gz OGGPUQLUWGWCEZ-HZPDHXFCSA-N 1 2 363.845 2.430 20 5 FEBDLO O=C(NCC1CC[NH+](Cc2cccc(F)c2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001399750 680460586 /nfs/dbraw/zinc/46/05/86/680460586.db2.gz NFQLDCUZRRAPPN-UKRRQHHQSA-N 1 2 369.824 2.473 20 5 FEBDLO CC[NH+](CC)Cc1csc(NC(=O)c2cc([N+](=O)[O-])cnc2N)n1 ZINC000757875392 680539622 /nfs/dbraw/zinc/53/96/22/680539622.db2.gz XASZTLPUXWBQCS-UHFFFAOYSA-N 1 2 350.404 2.123 20 5 FEBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC001005379783 680573519 /nfs/dbraw/zinc/57/35/19/680573519.db2.gz WJERMNFRBJTIED-GDBMZVCRSA-N 1 2 353.369 2.053 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000768562561 680950601 /nfs/dbraw/zinc/95/06/01/680950601.db2.gz OOADVSNNZLHCSA-MNOVXSKESA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000768562561 680950602 /nfs/dbraw/zinc/95/06/02/680950602.db2.gz OOADVSNNZLHCSA-MNOVXSKESA-N 1 2 361.851 2.270 20 5 FEBDLO C[N@H+](Cc1cncs1)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050243661 681043765 /nfs/dbraw/zinc/04/37/65/681043765.db2.gz CPJFSBCWAGQGQG-HZPDHXFCSA-N 1 2 360.439 2.057 20 5 FEBDLO C[N@@H+](Cc1cncs1)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050243661 681043768 /nfs/dbraw/zinc/04/37/68/681043768.db2.gz CPJFSBCWAGQGQG-HZPDHXFCSA-N 1 2 360.439 2.057 20 5 FEBDLO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844760617 681080438 /nfs/dbraw/zinc/08/04/38/681080438.db2.gz XEMACIISHNKRPF-HUUCEWRRSA-N 1 2 353.325 2.221 20 5 FEBDLO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844760617 681080440 /nfs/dbraw/zinc/08/04/40/681080440.db2.gz XEMACIISHNKRPF-HUUCEWRRSA-N 1 2 353.325 2.221 20 5 FEBDLO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000848486643 681559203 /nfs/dbraw/zinc/55/92/03/681559203.db2.gz ICVNMTGHQPTOML-UONOGXRCSA-N 1 2 355.341 2.182 20 5 FEBDLO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000848486643 681559209 /nfs/dbraw/zinc/55/92/09/681559209.db2.gz ICVNMTGHQPTOML-UONOGXRCSA-N 1 2 355.341 2.182 20 5 FEBDLO O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000913385304 685476110 /nfs/dbraw/zinc/47/61/10/685476110.db2.gz XGMAZWJBCUOZKN-JTQLQIEISA-N 1 2 352.753 2.463 20 5 FEBDLO O=C1NC2(CO1)CC[NH+](Cn1c3cc([N+](=O)[O-])ccc3oc1=S)CC2 ZINC000784022181 682194080 /nfs/dbraw/zinc/19/40/80/682194080.db2.gz YZIAQGHXJHTAOA-UHFFFAOYSA-N 1 2 364.383 2.404 20 5 FEBDLO C[C@H](NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000854097246 682512660 /nfs/dbraw/zinc/51/26/60/682512660.db2.gz GHTYSUQMYYGUTK-RDBSUJKOSA-N 1 2 350.419 2.064 20 5 FEBDLO C[C@H](NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000854097246 682512663 /nfs/dbraw/zinc/51/26/63/682512663.db2.gz GHTYSUQMYYGUTK-RDBSUJKOSA-N 1 2 350.419 2.064 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000788377686 682526162 /nfs/dbraw/zinc/52/61/62/682526162.db2.gz OENSASWKCBOSFG-LBPRGKRZSA-N 1 2 367.837 2.208 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000789086833 682578186 /nfs/dbraw/zinc/57/81/86/682578186.db2.gz VTFFMIHIJPUTEI-GFCCVEGCSA-N 1 2 370.837 2.110 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CC[C@@H](C(F)(F)F)O3)CC2)cn1 ZINC000929171157 683556599 /nfs/dbraw/zinc/55/65/99/683556599.db2.gz GXHAFDMQKLIQPH-OLZOCXBDSA-N 1 2 360.336 2.222 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000931494698 684291839 /nfs/dbraw/zinc/29/18/39/684291839.db2.gz ONCIFHSGUOFXFC-CYBMUJFWSA-N 1 2 350.419 2.342 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925242189 684543741 /nfs/dbraw/zinc/54/37/41/684543741.db2.gz XMKICWQGZXETKR-ZIAGYGMSSA-N 1 2 350.419 2.018 20 5 FEBDLO COC1CC[NH+](Cc2cn(Cc3cc(Cl)ccc3[N+](=O)[O-])nn2)CC1 ZINC000881352436 687126582 /nfs/dbraw/zinc/12/65/82/687126582.db2.gz HOIVRALQKOEOJD-UHFFFAOYSA-N 1 2 365.821 2.499 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886800962 688314387 /nfs/dbraw/zinc/31/43/87/688314387.db2.gz FOKQHWHZYLOTOJ-IINYFYTJSA-N 1 2 361.320 2.169 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886800962 688314393 /nfs/dbraw/zinc/31/43/93/688314393.db2.gz FOKQHWHZYLOTOJ-IINYFYTJSA-N 1 2 361.320 2.169 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000888288479 688578425 /nfs/dbraw/zinc/57/84/25/688578425.db2.gz NRJWIXPIABTMEX-NSHDSACASA-N 1 2 356.810 2.399 20 5 FEBDLO COc1c(O)ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000893417060 689344795 /nfs/dbraw/zinc/34/47/95/689344795.db2.gz BBTDTNQDRCCWGM-UHFFFAOYSA-N 1 2 350.293 2.198 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)Sc2nc(N)cc(C)[nH+]2)c([N+](=O)[O-])c1 ZINC000007177414 539450268 /nfs/dbraw/zinc/45/02/68/539450268.db2.gz UTXRUKSRESCBSD-SECBINFHSA-N 1 2 363.399 2.403 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007674651 539462598 /nfs/dbraw/zinc/46/25/98/539462598.db2.gz ULSBSOLOVVCLSR-UHFFFAOYSA-N 1 2 360.395 2.231 20 5 FEBDLO CCOc1ccc(NC(=O)CSc2nc(N)cc(C)[nH+]2)c([N+](=O)[O-])c1 ZINC000022089224 539691470 /nfs/dbraw/zinc/69/14/70/539691470.db2.gz QNWGDNVWXSHRNH-UHFFFAOYSA-N 1 2 363.399 2.405 20 5 FEBDLO Cc1cc(C[NH+]2CCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC000022252735 539693648 /nfs/dbraw/zinc/69/36/48/539693648.db2.gz MUAZUKLFWFQATJ-AWEZNQCLSA-N 1 2 373.413 2.036 20 5 FEBDLO COCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccco1 ZINC000026449754 539787133 /nfs/dbraw/zinc/78/71/33/539787133.db2.gz UNBGFXGBGJFZCY-UHFFFAOYSA-N 1 2 359.382 2.226 20 5 FEBDLO COCC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccco1 ZINC000026449754 539787135 /nfs/dbraw/zinc/78/71/35/539787135.db2.gz UNBGFXGBGJFZCY-UHFFFAOYSA-N 1 2 359.382 2.226 20 5 FEBDLO Cc1ccc(NC(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1C ZINC000026481101 539787462 /nfs/dbraw/zinc/78/74/62/539787462.db2.gz POFZRMXLWLABOU-UHFFFAOYSA-N 1 2 369.425 2.367 20 5 FEBDLO CCN(C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000026489079 539788324 /nfs/dbraw/zinc/78/83/24/539788324.db2.gz BKIJMLOGJBEHFV-UHFFFAOYSA-N 1 2 369.425 2.165 20 5 FEBDLO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000029841005 539866291 /nfs/dbraw/zinc/86/62/91/539866291.db2.gz LISYWYMEQCUEKS-UHFFFAOYSA-N 1 2 355.394 2.479 20 5 FEBDLO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000029841005 539866294 /nfs/dbraw/zinc/86/62/94/539866294.db2.gz LISYWYMEQCUEKS-UHFFFAOYSA-N 1 2 355.394 2.479 20 5 FEBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000031304336 539904337 /nfs/dbraw/zinc/90/43/37/539904337.db2.gz YWHLWMMINHDXOM-LBPRGKRZSA-N 1 2 354.838 2.285 20 5 FEBDLO CCOc1cc(C(=O)NCc2ccc[nH+]c2N(C)C)c([N+](=O)[O-])cc1OC ZINC000032688232 539947943 /nfs/dbraw/zinc/94/79/43/539947943.db2.gz DKQIZOSSOBBHKQ-UHFFFAOYSA-N 1 2 374.397 2.393 20 5 FEBDLO CC(C)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000032935178 539960388 /nfs/dbraw/zinc/96/03/88/539960388.db2.gz ZBHVPEYRHCTAKX-OAHLLOKOSA-N 1 2 355.822 2.335 20 5 FEBDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000045032488 540147426 /nfs/dbraw/zinc/14/74/26/540147426.db2.gz VKJVVMAMNJBVTM-UHFFFAOYSA-N 1 2 357.370 2.148 20 5 FEBDLO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH+](Cc2ccco2)CC1 ZINC000045297433 540209117 /nfs/dbraw/zinc/20/91/17/540209117.db2.gz HJOPPPGLSJIBRM-UHFFFAOYSA-N 1 2 355.354 2.022 20 5 FEBDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccccc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000046716755 540267861 /nfs/dbraw/zinc/26/78/61/540267861.db2.gz LPNQJRPVUAXIQD-CYBMUJFWSA-N 1 2 356.382 2.145 20 5 FEBDLO C[C@@H]1CN(c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3)c[nH+]2)CCO1 ZINC000046716944 540267969 /nfs/dbraw/zinc/26/79/69/540267969.db2.gz ZLOPYZHBWWZDKX-CYBMUJFWSA-N 1 2 356.382 2.145 20 5 FEBDLO Cc1noc(C)c1C[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000047910999 540334025 /nfs/dbraw/zinc/33/40/25/540334025.db2.gz YTFPJHZVLMSCIS-UHFFFAOYSA-N 1 2 362.415 2.231 20 5 FEBDLO O=C1C[C@@H]([N@@H+]2CCc3sccc3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000050784426 540414252 /nfs/dbraw/zinc/41/42/52/540414252.db2.gz MRPONQZENLQXER-CQSZACIVSA-N 1 2 357.391 2.347 20 5 FEBDLO O=C1C[C@@H]([N@H+]2CCc3sccc3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000050784426 540414254 /nfs/dbraw/zinc/41/42/54/540414254.db2.gz MRPONQZENLQXER-CQSZACIVSA-N 1 2 357.391 2.347 20 5 FEBDLO O=[N+]([O-])c1ccc(NCC[NH+]2CCN(c3ncccn3)CC2)c(Cl)c1 ZINC000052433723 540465979 /nfs/dbraw/zinc/46/59/79/540465979.db2.gz QTRJGKZNWMIBIO-UHFFFAOYSA-N 1 2 362.821 2.272 20 5 FEBDLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000056965621 540758493 /nfs/dbraw/zinc/75/84/93/540758493.db2.gz KPPCSNFPOWXXQS-UHFFFAOYSA-N 1 2 354.410 2.147 20 5 FEBDLO NC(=O)C[N@@H+]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000063759493 541183355 /nfs/dbraw/zinc/18/33/55/541183355.db2.gz RHUMIIAILGTBER-UHFFFAOYSA-N 1 2 362.433 2.021 20 5 FEBDLO NC(=O)C[N@H+]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000063759493 541183357 /nfs/dbraw/zinc/18/33/57/541183357.db2.gz RHUMIIAILGTBER-UHFFFAOYSA-N 1 2 362.433 2.021 20 5 FEBDLO CC(C)NC(=O)c1ccc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)c([N+](=O)[O-])c1 ZINC000066745771 541368560 /nfs/dbraw/zinc/36/85/60/541368560.db2.gz NJUXWTVGCAFFBY-OAHLLOKOSA-N 1 2 362.430 2.008 20 5 FEBDLO CC(C)NC(=O)c1ccc(NC[C@@H]2C[N@H+](C3CC3)CCO2)c([N+](=O)[O-])c1 ZINC000066745771 541368565 /nfs/dbraw/zinc/36/85/65/541368565.db2.gz NJUXWTVGCAFFBY-OAHLLOKOSA-N 1 2 362.430 2.008 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000071092498 541763781 /nfs/dbraw/zinc/76/37/81/541763781.db2.gz OYZROWCBVJBONC-UHFFFAOYSA-N 1 2 359.367 2.285 20 5 FEBDLO CCN(CC)C(=O)C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000072557824 541831346 /nfs/dbraw/zinc/83/13/46/541831346.db2.gz ZTJBYNQXLOPZSH-CYBMUJFWSA-N 1 2 350.419 2.030 20 5 FEBDLO CCN(CC)C(=O)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000072557824 541831353 /nfs/dbraw/zinc/83/13/53/541831353.db2.gz ZTJBYNQXLOPZSH-CYBMUJFWSA-N 1 2 350.419 2.030 20 5 FEBDLO O=C(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccc(F)cc1 ZINC000072665295 541847496 /nfs/dbraw/zinc/84/74/96/541847496.db2.gz RZXPKMSNPLUAKA-CQSZACIVSA-N 1 2 359.361 2.254 20 5 FEBDLO O=C(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccc(F)cc1 ZINC000072665295 541847498 /nfs/dbraw/zinc/84/74/98/541847498.db2.gz RZXPKMSNPLUAKA-CQSZACIVSA-N 1 2 359.361 2.254 20 5 FEBDLO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000073758064 541996466 /nfs/dbraw/zinc/99/64/66/541996466.db2.gz BYTBGVSLTCIQKD-RHSMWYFYSA-N 1 2 362.430 2.162 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075532128 542185511 /nfs/dbraw/zinc/18/55/11/542185511.db2.gz AXJICDILZPDQFG-LLVKDONJSA-N 1 2 358.354 2.109 20 5 FEBDLO O=C(CCNc1ccc([N+](=O)[O-])s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000080971197 542620589 /nfs/dbraw/zinc/62/05/89/542620589.db2.gz QXJJSVFUBAMEOQ-UHFFFAOYSA-N 1 2 361.427 2.202 20 5 FEBDLO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCS(=O)(=O)C1 ZINC000083168497 542692682 /nfs/dbraw/zinc/69/26/82/542692682.db2.gz ZSGNZAFHWRGELM-LBPRGKRZSA-N 1 2 353.400 2.135 20 5 FEBDLO CCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCS(=O)(=O)C1 ZINC000083168497 542692685 /nfs/dbraw/zinc/69/26/85/542692685.db2.gz ZSGNZAFHWRGELM-LBPRGKRZSA-N 1 2 353.400 2.135 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)N(C)Cc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000083981514 542705975 /nfs/dbraw/zinc/70/59/75/542705975.db2.gz ZSWFKJNSURYSCZ-UHFFFAOYSA-N 1 2 358.807 2.111 20 5 FEBDLO O=C(C[N@@H+]1CCS[C@H]2COCC[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000247423762 549332325 /nfs/dbraw/zinc/33/23/25/549332325.db2.gz ZGBCSHCUDPPYSX-OCCSQVGLSA-N 1 2 371.846 2.393 20 5 FEBDLO O=C(C[N@H+]1CCS[C@H]2COCC[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000247423762 549332330 /nfs/dbraw/zinc/33/23/30/549332330.db2.gz ZGBCSHCUDPPYSX-OCCSQVGLSA-N 1 2 371.846 2.393 20 5 FEBDLO Cn1cc(C[NH+]2CCN(CC(F)F)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092586427 542872881 /nfs/dbraw/zinc/87/28/81/542872881.db2.gz VZOWUVZDJLGFEY-UHFFFAOYSA-N 1 2 365.384 2.378 20 5 FEBDLO Cc1ccc(CN2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000093077733 542906757 /nfs/dbraw/zinc/90/67/57/542906757.db2.gz AVAJQPWJRUHCDS-INIZCTEOSA-N 1 2 374.485 2.468 20 5 FEBDLO Cc1ccc(C[NH+]2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000093077733 542906760 /nfs/dbraw/zinc/90/67/60/542906760.db2.gz AVAJQPWJRUHCDS-INIZCTEOSA-N 1 2 374.485 2.468 20 5 FEBDLO CCc1nn(C)c(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000094134014 542953968 /nfs/dbraw/zinc/95/39/68/542953968.db2.gz HSPPQTHWOHEUPP-MRXNPFEDSA-N 1 2 359.430 2.376 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000247447557 549334427 /nfs/dbraw/zinc/33/44/27/549334427.db2.gz JBMPRKIIJIYACB-CZUORRHYSA-N 1 2 373.413 2.322 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000247447557 549334428 /nfs/dbraw/zinc/33/44/28/549334428.db2.gz JBMPRKIIJIYACB-CZUORRHYSA-N 1 2 373.413 2.322 20 5 FEBDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000103474548 543109307 /nfs/dbraw/zinc/10/93/07/543109307.db2.gz OMGQDIOLJZIQII-GFCCVEGCSA-N 1 2 361.402 2.186 20 5 FEBDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000103474548 543109309 /nfs/dbraw/zinc/10/93/09/543109309.db2.gz OMGQDIOLJZIQII-GFCCVEGCSA-N 1 2 361.402 2.186 20 5 FEBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCN1CCCC1=O ZINC000112995542 543472142 /nfs/dbraw/zinc/47/21/42/543472142.db2.gz OFXYDUFQXKAFMA-GFCCVEGCSA-N 1 2 359.386 2.260 20 5 FEBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCN1CCCC1=O ZINC000112995542 543472144 /nfs/dbraw/zinc/47/21/44/543472144.db2.gz OFXYDUFQXKAFMA-GFCCVEGCSA-N 1 2 359.386 2.260 20 5 FEBDLO COc1cc(C[N@H+](C)[C@@H](C)C[S@](C)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000126344458 543931254 /nfs/dbraw/zinc/93/12/54/543931254.db2.gz ZYHKBUYEXSMNNM-UZKFNYRNSA-N 1 2 366.386 2.404 20 5 FEBDLO COc1cc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000126344458 543931255 /nfs/dbraw/zinc/93/12/55/543931255.db2.gz ZYHKBUYEXSMNNM-UZKFNYRNSA-N 1 2 366.386 2.404 20 5 FEBDLO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC(n2cc[nH+]c2)CC1 ZINC000127954152 544023769 /nfs/dbraw/zinc/02/37/69/544023769.db2.gz DEEKVXCFZBXXNF-UHFFFAOYSA-N 1 2 366.381 2.454 20 5 FEBDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000127470565 543995398 /nfs/dbraw/zinc/99/53/98/543995398.db2.gz UOPNYTYNXRRDSH-UHFFFAOYSA-N 1 2 351.384 2.140 20 5 FEBDLO O=C1[C@H]([NH+]2CCC(O)(C(F)(F)F)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000128341295 544047258 /nfs/dbraw/zinc/04/72/58/544047258.db2.gz ZTYOMPRVSZTPLM-CYBMUJFWSA-N 1 2 373.331 2.089 20 5 FEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(CCOc3ccccc3)CC2)c1 ZINC000136892517 544380895 /nfs/dbraw/zinc/38/08/95/544380895.db2.gz YPRPXTLMYHZDCT-FQEVSTJZSA-N 1 2 371.437 2.325 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000151484833 544546912 /nfs/dbraw/zinc/54/69/12/544546912.db2.gz ZUAGGFCBSWCPAY-CZUORRHYSA-N 1 2 371.397 2.148 20 5 FEBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCCOc1ccccc1 ZINC000153246721 544751835 /nfs/dbraw/zinc/75/18/35/544751835.db2.gz WCHOKRNHVOFQAR-UHFFFAOYSA-N 1 2 355.394 2.148 20 5 FEBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCCOc1ccccc1 ZINC000153246721 544751840 /nfs/dbraw/zinc/75/18/40/544751840.db2.gz WCHOKRNHVOFQAR-UHFFFAOYSA-N 1 2 355.394 2.148 20 5 FEBDLO Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc[nH+]1 ZINC000153778519 544822067 /nfs/dbraw/zinc/82/20/67/544822067.db2.gz FGRFLHJOPOUGLY-LLVKDONJSA-N 1 2 358.329 2.429 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154479418 544911465 /nfs/dbraw/zinc/91/14/65/544911465.db2.gz KJFIVIUDTXMJGG-HNNXBMFYSA-N 1 2 351.403 2.181 20 5 FEBDLO Cc1ccc(NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1[N+](=O)[O-] ZINC000183861460 327839564 /nfs/dbraw/zinc/83/95/64/327839564.db2.gz SVPPCEVOPVDZOG-UHFFFAOYSA-N 1 2 356.386 2.356 20 5 FEBDLO COc1cc(CN2CC[NH+](Cc3cccnc3)CC2)c([N+](=O)[O-])cc1F ZINC000184272575 327859418 /nfs/dbraw/zinc/85/94/18/327859418.db2.gz OUKYPWSODIDQBR-UHFFFAOYSA-N 1 2 360.389 2.455 20 5 FEBDLO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000185509214 327920043 /nfs/dbraw/zinc/92/00/43/327920043.db2.gz YGYKHNHXFZEFOK-UHFFFAOYSA-N 1 2 356.382 2.090 20 5 FEBDLO C[NH+](C)[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000188810782 328112036 /nfs/dbraw/zinc/11/20/36/328112036.db2.gz SBWDYMUKKVDZMY-CQSZACIVSA-N 1 2 364.789 2.382 20 5 FEBDLO C[NH+](C)[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000188810762 328112072 /nfs/dbraw/zinc/11/20/72/328112072.db2.gz SBWDYMUKKVDZMY-AWEZNQCLSA-N 1 2 364.789 2.382 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)n1 ZINC000191574043 328272033 /nfs/dbraw/zinc/27/20/33/328272033.db2.gz VBCALKVLMDPUSN-UHFFFAOYSA-N 1 2 358.333 2.066 20 5 FEBDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000192245180 328308714 /nfs/dbraw/zinc/30/87/14/328308714.db2.gz RYNRUHJSYTXJAG-UHFFFAOYSA-N 1 2 366.443 2.455 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2c(F)cccc2F)C2CC2)c1 ZINC000192300668 328312161 /nfs/dbraw/zinc/31/21/61/328312161.db2.gz KDEWIVHDLQQUHY-ZDUSSCGKSA-N 1 2 352.341 2.095 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](Cc2c(F)cccc2F)C2CC2)c1 ZINC000192300668 328312164 /nfs/dbraw/zinc/31/21/64/328312164.db2.gz KDEWIVHDLQQUHY-ZDUSSCGKSA-N 1 2 352.341 2.095 20 5 FEBDLO Cc1cc(C[NH+]2CCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)on1 ZINC000022251425 324398884 /nfs/dbraw/zinc/39/88/84/324398884.db2.gz IHZWUPZTOZDWLD-AWEZNQCLSA-N 1 2 373.413 2.036 20 5 FEBDLO COc1ccc(CNC(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000088605824 325298771 /nfs/dbraw/zinc/29/87/71/325298771.db2.gz ZRBCMOFYQLCPPW-UHFFFAOYSA-N 1 2 355.394 2.278 20 5 FEBDLO COc1ccc(CNC(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000088605824 325298773 /nfs/dbraw/zinc/29/87/73/325298773.db2.gz ZRBCMOFYQLCPPW-UHFFFAOYSA-N 1 2 355.394 2.278 20 5 FEBDLO CCOC(=O)C[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000089992313 325348168 /nfs/dbraw/zinc/34/81/68/325348168.db2.gz GWADSRSEIQPNSP-LBPRGKRZSA-N 1 2 360.370 2.100 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000090703065 325367419 /nfs/dbraw/zinc/36/74/19/325367419.db2.gz YVHGIWHFIQMHBO-UHFFFAOYSA-N 1 2 365.393 2.201 20 5 FEBDLO O=C(CCn1cc([N+](=O)[O-])cn1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107179909 325620962 /nfs/dbraw/zinc/62/09/62/325620962.db2.gz NYZAFTASEYLPTI-UHFFFAOYSA-N 1 2 372.429 2.273 20 5 FEBDLO CCOCC[NH+]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000110923918 325696677 /nfs/dbraw/zinc/69/66/77/325696677.db2.gz LGHSEXLMTVSZHL-UHFFFAOYSA-N 1 2 353.444 2.111 20 5 FEBDLO CC(C)C[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119503870 326169531 /nfs/dbraw/zinc/16/95/31/326169531.db2.gz JMXOPBSVWDLYFM-UHFFFAOYSA-N 1 2 361.851 2.211 20 5 FEBDLO COc1cc(OCC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000120154679 326235261 /nfs/dbraw/zinc/23/52/61/326235261.db2.gz ZFNIYURORFDBNG-CQSZACIVSA-N 1 2 360.370 2.459 20 5 FEBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000126376319 326487852 /nfs/dbraw/zinc/48/78/52/326487852.db2.gz CEPJGELXESEQNJ-UHFFFAOYSA-N 1 2 369.425 2.060 20 5 FEBDLO C[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000130927015 326565745 /nfs/dbraw/zinc/56/57/45/326565745.db2.gz ARSKJFZAYCJHOE-LBPRGKRZSA-N 1 2 359.423 2.133 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000151267845 326678479 /nfs/dbraw/zinc/67/84/79/326678479.db2.gz XFNLXVDRJFRPDJ-DZGCQCFKSA-N 1 2 364.427 2.372 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000151484961 326683701 /nfs/dbraw/zinc/68/37/01/326683701.db2.gz ZUAGGFCBSWCPAY-CJNGLKHVSA-N 1 2 371.397 2.148 20 5 FEBDLO O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000155636441 326797490 /nfs/dbraw/zinc/79/74/90/326797490.db2.gz AYONRODQLOUKHW-LBPRGKRZSA-N 1 2 369.368 2.200 20 5 FEBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000171422860 327138722 /nfs/dbraw/zinc/13/87/22/327138722.db2.gz GOWCQEGGIFFTDX-OAHLLOKOSA-N 1 2 364.446 2.236 20 5 FEBDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000171994833 327174957 /nfs/dbraw/zinc/17/49/57/327174957.db2.gz YUZFRBJMNHCOPU-MRXNPFEDSA-N 1 2 362.430 2.175 20 5 FEBDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000171994833 327174958 /nfs/dbraw/zinc/17/49/58/327174958.db2.gz YUZFRBJMNHCOPU-MRXNPFEDSA-N 1 2 362.430 2.175 20 5 FEBDLO Cc1cc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000172015142 327176139 /nfs/dbraw/zinc/17/61/39/327176139.db2.gz JICMKDPDCNJVDY-CQSZACIVSA-N 1 2 353.400 2.077 20 5 FEBDLO CCOC(=O)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](C)CC ZINC000173869464 327290066 /nfs/dbraw/zinc/29/00/66/327290066.db2.gz RRTONTSVTVQAOR-LRDDRELGSA-N 1 2 374.397 2.488 20 5 FEBDLO CCc1n[nH]c(C(=O)NCc2[nH+]ccn2CCc2ccccc2)c1[N+](=O)[O-] ZINC000176478419 327458258 /nfs/dbraw/zinc/45/82/58/327458258.db2.gz POFKIBUPJWNOQF-UHFFFAOYSA-N 1 2 368.397 2.250 20 5 FEBDLO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1SC ZINC000264224802 329001980 /nfs/dbraw/zinc/00/19/80/329001980.db2.gz WUMUTZIMIPQZCG-JTQLQIEISA-N 1 2 350.400 2.340 20 5 FEBDLO Cc1[nH]nc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000264232668 329002686 /nfs/dbraw/zinc/00/26/86/329002686.db2.gz MGBWBFMFLRTMOV-GFCCVEGCSA-N 1 2 359.386 2.272 20 5 FEBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000264448609 329024460 /nfs/dbraw/zinc/02/44/60/329024460.db2.gz HLIDBVOCNORWOC-UHFFFAOYSA-N 1 2 352.398 2.268 20 5 FEBDLO Cc1cc([N+](=O)[O-])cnc1N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000264448609 329024461 /nfs/dbraw/zinc/02/44/61/329024461.db2.gz HLIDBVOCNORWOC-UHFFFAOYSA-N 1 2 352.398 2.268 20 5 FEBDLO O=C(NCc1ccccc1[N+](=O)[O-])c1ccccc1C[NH+]1CCOCC1 ZINC000266843345 329265070 /nfs/dbraw/zinc/26/50/70/329265070.db2.gz PEVZJOYPHQFGOW-UHFFFAOYSA-N 1 2 355.394 2.357 20 5 FEBDLO CCOC(=O)c1cc(N2CC[NH+](Cc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000267523159 329335076 /nfs/dbraw/zinc/33/50/76/329335076.db2.gz GVOYWXNGHIMQKU-UHFFFAOYSA-N 1 2 370.409 2.489 20 5 FEBDLO C[C@H](NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000275303040 330032605 /nfs/dbraw/zinc/03/26/05/330032605.db2.gz BYQLREMZTPFOHU-XJKSGUPXSA-N 1 2 372.429 2.088 20 5 FEBDLO COc1cc[nH+]cc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000275768558 330086696 /nfs/dbraw/zinc/08/66/96/330086696.db2.gz UMZOSJSZQLXVKU-UHFFFAOYSA-N 1 2 370.365 2.128 20 5 FEBDLO CCOc1ccc(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000367077401 330214457 /nfs/dbraw/zinc/21/44/57/330214457.db2.gz IOXCYJVSJDUAMH-HNNXBMFYSA-N 1 2 356.382 2.175 20 5 FEBDLO C[NH+](C)C1CC[NH+](CCN=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000486972471 538582830 /nfs/dbraw/zinc/58/28/30/538582830.db2.gz PTJKBQSZAMTFDZ-UHFFFAOYSA-N 1 2 360.418 2.083 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000155893492 545582005 /nfs/dbraw/zinc/58/20/05/545582005.db2.gz HPQDMUOPNRFXJJ-GFCCVEGCSA-N 1 2 374.363 2.492 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000155893492 545582006 /nfs/dbraw/zinc/58/20/06/545582006.db2.gz HPQDMUOPNRFXJJ-GFCCVEGCSA-N 1 2 374.363 2.492 20 5 FEBDLO O=C(c1ccccn1)N1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000165252924 546152992 /nfs/dbraw/zinc/15/29/92/546152992.db2.gz JNVOTOQGEOMLTG-UHFFFAOYSA-N 1 2 358.373 2.477 20 5 FEBDLO O=C(c1ccccn1)N1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000165252924 546152999 /nfs/dbraw/zinc/15/29/99/546152999.db2.gz JNVOTOQGEOMLTG-UHFFFAOYSA-N 1 2 358.373 2.477 20 5 FEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000175868951 546365291 /nfs/dbraw/zinc/36/52/91/546365291.db2.gz MUDDLIKGZCWZCN-UHFFFAOYSA-N 1 2 355.394 2.187 20 5 FEBDLO COc1cccc([C@@H](C)N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000176230628 546422060 /nfs/dbraw/zinc/42/20/60/546422060.db2.gz RSMNMWGDVYFHLG-OAHLLOKOSA-N 1 2 359.430 2.179 20 5 FEBDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)S1 ZINC000177187704 546565099 /nfs/dbraw/zinc/56/50/99/546565099.db2.gz MLOGWLKIUWRUNT-JTQLQIEISA-N 1 2 368.846 2.497 20 5 FEBDLO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177761519 546682065 /nfs/dbraw/zinc/68/20/65/546682065.db2.gz YHZQNFYHWGERPK-INIZCTEOSA-N 1 2 366.381 2.282 20 5 FEBDLO O=C(N[C@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178955038 546879964 /nfs/dbraw/zinc/87/99/64/546879964.db2.gz BCSFBTQYTKLMRD-COXVUDFISA-N 1 2 368.393 2.468 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000181520128 547328094 /nfs/dbraw/zinc/32/80/94/547328094.db2.gz NEOCUFQEQRGEMI-ICSRJNTNSA-N 1 2 372.421 2.278 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000181520128 547328100 /nfs/dbraw/zinc/32/81/00/547328100.db2.gz NEOCUFQEQRGEMI-ICSRJNTNSA-N 1 2 372.421 2.278 20 5 FEBDLO C[N@@H+](Cc1nccn1C(F)F)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181546055 547332478 /nfs/dbraw/zinc/33/24/78/547332478.db2.gz XMSZRMDSZSBHGJ-NSHDSACASA-N 1 2 356.329 2.058 20 5 FEBDLO C[N@H+](Cc1nccn1C(F)F)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181546055 547332481 /nfs/dbraw/zinc/33/24/81/547332481.db2.gz XMSZRMDSZSBHGJ-NSHDSACASA-N 1 2 356.329 2.058 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)[S@@]1=O ZINC000483436723 561277265 /nfs/dbraw/zinc/27/72/65/561277265.db2.gz DXLHHQXULACFQL-UCSHMGCTSA-N 1 2 362.455 2.337 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)[S@@]1=O ZINC000483436723 561277266 /nfs/dbraw/zinc/27/72/66/561277266.db2.gz DXLHHQXULACFQL-UCSHMGCTSA-N 1 2 362.455 2.337 20 5 FEBDLO CC(C)CO[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000182004637 547420724 /nfs/dbraw/zinc/42/07/24/547420724.db2.gz AEWKDJBHGBBDAF-HNNXBMFYSA-N 1 2 356.444 2.115 20 5 FEBDLO CC(C)CO[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000182004637 547420728 /nfs/dbraw/zinc/42/07/28/547420728.db2.gz AEWKDJBHGBBDAF-HNNXBMFYSA-N 1 2 356.444 2.115 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000483936595 561287303 /nfs/dbraw/zinc/28/73/03/561287303.db2.gz ARMGMWCILOUCST-ABAIWWIYSA-N 1 2 352.366 2.061 20 5 FEBDLO CC[C@@H](C)NC(=O)CN1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182613564 547522677 /nfs/dbraw/zinc/52/26/77/547522677.db2.gz VEBRNSYCJJZGPE-HZPDHXFCSA-N 1 2 362.474 2.497 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000183329129 547639530 /nfs/dbraw/zinc/63/95/30/547639530.db2.gz GXRFPQJWAIOFHK-INIZCTEOSA-N 1 2 374.485 2.468 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000183329129 547639534 /nfs/dbraw/zinc/63/95/34/547639534.db2.gz GXRFPQJWAIOFHK-INIZCTEOSA-N 1 2 374.485 2.468 20 5 FEBDLO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000183559744 547681577 /nfs/dbraw/zinc/68/15/77/547681577.db2.gz YKVVXAIBTPKTMX-UHFFFAOYSA-N 1 2 359.361 2.479 20 5 FEBDLO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000183626722 547691501 /nfs/dbraw/zinc/69/15/01/547691501.db2.gz ARBZIDOWEFJQJL-UHFFFAOYSA-N 1 2 369.377 2.282 20 5 FEBDLO Cc1nc(N2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc[nH+]1 ZINC000183872528 547732349 /nfs/dbraw/zinc/73/23/49/547732349.db2.gz BKABLVRDGBJKPB-UHFFFAOYSA-N 1 2 356.386 2.356 20 5 FEBDLO O=C(N[C@@H]1CCCc2c[nH]nc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000484735564 561304855 /nfs/dbraw/zinc/30/48/55/561304855.db2.gz KASFBEHKRPODTD-CYBMUJFWSA-N 1 2 352.354 2.311 20 5 FEBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC(n2cc[nH+]c2)CC1 ZINC000486052070 561336881 /nfs/dbraw/zinc/33/68/81/561336881.db2.gz IZJJBGCNMGUPHI-UHFFFAOYSA-N 1 2 350.325 2.476 20 5 FEBDLO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192635388 548369274 /nfs/dbraw/zinc/36/92/74/548369274.db2.gz WVQWLJLHDGAMOB-GFCCVEGCSA-N 1 2 356.382 2.153 20 5 FEBDLO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192635388 548369276 /nfs/dbraw/zinc/36/92/76/548369276.db2.gz WVQWLJLHDGAMOB-GFCCVEGCSA-N 1 2 356.382 2.153 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCCNc1cccc[nH+]1 ZINC000193946378 548410982 /nfs/dbraw/zinc/41/09/82/548410982.db2.gz BBVCEKVBEABYGK-UHFFFAOYSA-N 1 2 359.386 2.300 20 5 FEBDLO CCN(CC)c1ccc(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c[nH+]1 ZINC000486748797 561355691 /nfs/dbraw/zinc/35/56/91/561355691.db2.gz PYDYXLXMNAPXMX-UHFFFAOYSA-N 1 2 372.381 2.495 20 5 FEBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000194768808 548529707 /nfs/dbraw/zinc/52/97/07/548529707.db2.gz LTEDQDGVWOEYMZ-TXEJJXNPSA-N 1 2 355.822 2.429 20 5 FEBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000194768808 548529711 /nfs/dbraw/zinc/52/97/11/548529711.db2.gz LTEDQDGVWOEYMZ-TXEJJXNPSA-N 1 2 355.822 2.429 20 5 FEBDLO CN(C)c1ccc2cc(NC(=O)CCn3cc([N+](=O)[O-])cn3)ccc2[nH+]1 ZINC000195354757 548629581 /nfs/dbraw/zinc/62/95/81/548629581.db2.gz BQAUTYFYRQETNQ-UHFFFAOYSA-N 1 2 354.370 2.434 20 5 FEBDLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246197965 549075121 /nfs/dbraw/zinc/07/51/21/549075121.db2.gz VHAYFGCWPRRSEJ-IIAWOOMASA-N 1 2 361.446 2.171 20 5 FEBDLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246197965 549075123 /nfs/dbraw/zinc/07/51/23/549075123.db2.gz VHAYFGCWPRRSEJ-IIAWOOMASA-N 1 2 361.446 2.171 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000248448366 549439939 /nfs/dbraw/zinc/43/99/39/549439939.db2.gz HSMCAPJDWXURBG-MSOLQXFVSA-N 1 2 372.421 2.278 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000248448366 549439944 /nfs/dbraw/zinc/43/99/44/549439944.db2.gz HSMCAPJDWXURBG-MSOLQXFVSA-N 1 2 372.421 2.278 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000248474048 549448231 /nfs/dbraw/zinc/44/82/31/549448231.db2.gz XARMNYXRFJSCCW-RHSMWYFYSA-N 1 2 364.423 2.470 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000248474048 549448236 /nfs/dbraw/zinc/44/82/36/549448236.db2.gz XARMNYXRFJSCCW-RHSMWYFYSA-N 1 2 364.423 2.470 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000251921725 549658171 /nfs/dbraw/zinc/65/81/71/549658171.db2.gz SMEVAYHWYIDDQM-MQIPJXDCSA-N 1 2 351.403 2.287 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000251921725 549658176 /nfs/dbraw/zinc/65/81/76/549658176.db2.gz SMEVAYHWYIDDQM-MQIPJXDCSA-N 1 2 351.403 2.287 20 5 FEBDLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000253603837 549698578 /nfs/dbraw/zinc/69/85/78/549698578.db2.gz NMBQYUBSAFPBMV-XQQFMLRXSA-N 1 2 353.444 2.370 20 5 FEBDLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000253603837 549698580 /nfs/dbraw/zinc/69/85/80/549698580.db2.gz NMBQYUBSAFPBMV-XQQFMLRXSA-N 1 2 353.444 2.370 20 5 FEBDLO C[C@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000268298595 550046393 /nfs/dbraw/zinc/04/63/93/550046393.db2.gz XIEGXJAMUQGRAG-SMDDNHRTSA-N 1 2 368.390 2.202 20 5 FEBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000269213024 550168277 /nfs/dbraw/zinc/16/82/77/550168277.db2.gz WTWLJTDPNRIENV-ZDUSSCGKSA-N 1 2 356.382 2.214 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000271703539 550396146 /nfs/dbraw/zinc/39/61/46/550396146.db2.gz OBBIJVWNVHTCFG-CYBMUJFWSA-N 1 2 350.419 2.066 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000271703539 550396148 /nfs/dbraw/zinc/39/61/48/550396148.db2.gz OBBIJVWNVHTCFG-CYBMUJFWSA-N 1 2 350.419 2.066 20 5 FEBDLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000272752269 550469044 /nfs/dbraw/zinc/46/90/44/550469044.db2.gz ANGGRJZFWYJEDR-NSHDSACASA-N 1 2 361.851 2.009 20 5 FEBDLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000272752269 550469045 /nfs/dbraw/zinc/46/90/45/550469045.db2.gz ANGGRJZFWYJEDR-NSHDSACASA-N 1 2 361.851 2.009 20 5 FEBDLO C[N@H+](CCC(=O)OC(C)(C)C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273279705 550492989 /nfs/dbraw/zinc/49/29/89/550492989.db2.gz DEAUBRDWKJBPIM-UHFFFAOYSA-N 1 2 372.443 2.032 20 5 FEBDLO C[N@@H+](CCC(=O)OC(C)(C)C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273279705 550492991 /nfs/dbraw/zinc/49/29/91/550492991.db2.gz DEAUBRDWKJBPIM-UHFFFAOYSA-N 1 2 372.443 2.032 20 5 FEBDLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000273750081 550510219 /nfs/dbraw/zinc/51/02/19/550510219.db2.gz NFXICUIVVOJJFQ-LBPRGKRZSA-N 1 2 370.356 2.232 20 5 FEBDLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000273750081 550510220 /nfs/dbraw/zinc/51/02/20/550510220.db2.gz NFXICUIVVOJJFQ-LBPRGKRZSA-N 1 2 370.356 2.232 20 5 FEBDLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)nn1 ZINC000494655669 561473479 /nfs/dbraw/zinc/47/34/79/561473479.db2.gz RRYPCZNHPHVEOW-SNVBAGLBSA-N 1 2 365.777 2.073 20 5 FEBDLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)nn1 ZINC000494655669 561473480 /nfs/dbraw/zinc/47/34/80/561473480.db2.gz RRYPCZNHPHVEOW-SNVBAGLBSA-N 1 2 365.777 2.073 20 5 FEBDLO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1cccnc1 ZINC000277014232 550622038 /nfs/dbraw/zinc/62/20/38/550622038.db2.gz CFIBXWIYXOZCPZ-UHFFFAOYSA-N 1 2 374.397 2.086 20 5 FEBDLO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1cccnc1 ZINC000277014232 550622040 /nfs/dbraw/zinc/62/20/40/550622040.db2.gz CFIBXWIYXOZCPZ-UHFFFAOYSA-N 1 2 374.397 2.086 20 5 FEBDLO O=C(c1cc(NCC2([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000277336314 550657921 /nfs/dbraw/zinc/65/79/21/550657921.db2.gz FDAXENWFHHOQHQ-UHFFFAOYSA-N 1 2 374.441 2.108 20 5 FEBDLO C[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000278448561 550787441 /nfs/dbraw/zinc/78/74/41/550787441.db2.gz RKZBFYWVZVQAGI-GXFFZTMASA-N 1 2 360.336 2.166 20 5 FEBDLO CC(C)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ncon1 ZINC000278517048 550794272 /nfs/dbraw/zinc/79/42/72/550794272.db2.gz BPXLJGYHRREZHJ-CQSZACIVSA-N 1 2 356.342 2.291 20 5 FEBDLO CN(C)c1cc(F)c(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000279194002 550863748 /nfs/dbraw/zinc/86/37/48/550863748.db2.gz LWDVYIOYJIBFNC-UHFFFAOYSA-N 1 2 373.388 2.157 20 5 FEBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000279788695 550929127 /nfs/dbraw/zinc/92/91/27/550929127.db2.gz VCAUUNNWJCMIOP-OAHLLOKOSA-N 1 2 365.430 2.080 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC2(CCOCC2)O1 ZINC000279831273 550933931 /nfs/dbraw/zinc/93/39/31/550933931.db2.gz RAWOHPXXXQGWQA-CYBMUJFWSA-N 1 2 374.397 2.415 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC2(CCOCC2)O1 ZINC000279831273 550933932 /nfs/dbraw/zinc/93/39/32/550933932.db2.gz RAWOHPXXXQGWQA-CYBMUJFWSA-N 1 2 374.397 2.415 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000279833404 550933965 /nfs/dbraw/zinc/93/39/65/550933965.db2.gz ZUAQYFTXKHMSGT-AWEZNQCLSA-N 1 2 360.414 2.402 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000279936393 550944643 /nfs/dbraw/zinc/94/46/43/550944643.db2.gz XAUVRSHAMNXTHQ-DEYYWGMASA-N 1 2 363.414 2.110 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000279936393 550944645 /nfs/dbraw/zinc/94/46/45/550944645.db2.gz XAUVRSHAMNXTHQ-DEYYWGMASA-N 1 2 363.414 2.110 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279982633 550949522 /nfs/dbraw/zinc/94/95/22/550949522.db2.gz ZPAYGADGGDFEOL-ZIAGYGMSSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279982633 550949523 /nfs/dbraw/zinc/94/95/23/550949523.db2.gz ZPAYGADGGDFEOL-ZIAGYGMSSA-N 1 2 363.414 2.192 20 5 FEBDLO Cn1c[nH+]cc1CCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000280152729 550965835 /nfs/dbraw/zinc/96/58/35/550965835.db2.gz NVZSBUBOHFAKIO-UHFFFAOYSA-N 1 2 358.398 2.331 20 5 FEBDLO Cc1cc(NC[C@H](CO)[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000280158002 550966410 /nfs/dbraw/zinc/96/64/10/550966410.db2.gz ALFPHQSNJVPVAA-HUUCEWRRSA-N 1 2 358.398 2.417 20 5 FEBDLO Cc1nn(C)c(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000497970777 561512929 /nfs/dbraw/zinc/51/29/29/561512929.db2.gz HXUOQJLINXLOSD-ZDUSSCGKSA-N 1 2 372.360 2.029 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000285470799 551761279 /nfs/dbraw/zinc/76/12/79/551761279.db2.gz QFEXABQCWHHYRJ-RRQGHBQHSA-N 1 2 362.430 2.079 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000285470799 551761282 /nfs/dbraw/zinc/76/12/82/551761282.db2.gz QFEXABQCWHHYRJ-RRQGHBQHSA-N 1 2 362.430 2.079 20 5 FEBDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285676419 551793591 /nfs/dbraw/zinc/79/35/91/551793591.db2.gz FNTPWRZSQNEBFF-GFCCVEGCSA-N 1 2 354.370 2.281 20 5 FEBDLO O=C(C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000286435537 551884908 /nfs/dbraw/zinc/88/49/08/551884908.db2.gz JBGYCYJIYJDUED-QWRGUYRKSA-N 1 2 361.320 2.026 20 5 FEBDLO O=C(C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000286435537 551884910 /nfs/dbraw/zinc/88/49/10/551884910.db2.gz JBGYCYJIYJDUED-QWRGUYRKSA-N 1 2 361.320 2.026 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000286661739 551911872 /nfs/dbraw/zinc/91/18/72/551911872.db2.gz ZYOSCNSMWYWLBK-LBPRGKRZSA-N 1 2 373.356 2.288 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOC[C@@H]1CC(F)F ZINC000286661739 551911873 /nfs/dbraw/zinc/91/18/73/551911873.db2.gz ZYOSCNSMWYWLBK-LBPRGKRZSA-N 1 2 373.356 2.288 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000287436429 552003913 /nfs/dbraw/zinc/00/39/13/552003913.db2.gz QWDJROVHDYSHIO-GOEBONIOSA-N 1 2 361.442 2.455 20 5 FEBDLO C[C@H](Cn1ccnc1)Nc1nc(N[C@@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000290532952 552493822 /nfs/dbraw/zinc/49/38/22/552493822.db2.gz OIXKSBHHHQROQP-UONOGXRCSA-N 1 2 370.417 2.384 20 5 FEBDLO C[C@H](Cn1cc[nH+]c1)Nc1nc(N[C@@H](C)Cn2ccnc2)ccc1[N+](=O)[O-] ZINC000290532952 552493825 /nfs/dbraw/zinc/49/38/25/552493825.db2.gz OIXKSBHHHQROQP-UONOGXRCSA-N 1 2 370.417 2.384 20 5 FEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000290845610 552548683 /nfs/dbraw/zinc/54/86/83/552548683.db2.gz HOMXJVFTZPXBAK-BXUZGUMPSA-N 1 2 353.806 2.183 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000290935515 552565181 /nfs/dbraw/zinc/56/51/81/552565181.db2.gz ZDUQDYDNWHXGQQ-ZDUSSCGKSA-N 1 2 371.397 2.225 20 5 FEBDLO COC(=O)c1cc(NC(=O)c2cc(C[NH+]3CCCC3)on2)cc([N+](=O)[O-])c1 ZINC000292013196 552684557 /nfs/dbraw/zinc/68/45/57/552684557.db2.gz UOCWTGJJYMJKTA-UHFFFAOYSA-N 1 2 374.353 2.218 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)ccc1Cl ZINC000292908968 552769996 /nfs/dbraw/zinc/76/99/96/552769996.db2.gz HFUOCVABMLJFIK-ZDUSSCGKSA-N 1 2 351.794 2.169 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)ccc1Cl ZINC000292908968 552769997 /nfs/dbraw/zinc/76/99/97/552769997.db2.gz HFUOCVABMLJFIK-ZDUSSCGKSA-N 1 2 351.794 2.169 20 5 FEBDLO COc1cc[nH+]cc1CNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000293097703 552788599 /nfs/dbraw/zinc/78/85/99/552788599.db2.gz WDUMCQYBGWSGEV-UHFFFAOYSA-N 1 2 351.384 2.094 20 5 FEBDLO COc1cc(C[N@@H+]2CCC[C@@H](OC(=O)N(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000294731334 552930174 /nfs/dbraw/zinc/93/01/74/552930174.db2.gz GIQQZXFRFQQVHA-CYBMUJFWSA-N 1 2 367.402 2.275 20 5 FEBDLO COc1cc(C[N@H+]2CCC[C@@H](OC(=O)N(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000294731334 552930176 /nfs/dbraw/zinc/93/01/76/552930176.db2.gz GIQQZXFRFQQVHA-CYBMUJFWSA-N 1 2 367.402 2.275 20 5 FEBDLO CCOC(=O)c1ccnc(N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000296339699 553144134 /nfs/dbraw/zinc/14/41/34/553144134.db2.gz QDNBJFKGHBTWAZ-ZDUSSCGKSA-N 1 2 359.386 2.488 20 5 FEBDLO C[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296498197 553170477 /nfs/dbraw/zinc/17/04/77/553170477.db2.gz BLKHXUGAAHYLSM-KEYYUXOJSA-N 1 2 362.430 2.160 20 5 FEBDLO COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(C)n2)[NH+]2CCOCC2)cc1 ZINC000296594384 553184721 /nfs/dbraw/zinc/18/47/21/553184721.db2.gz SGLJCGLEOOEJRL-QGZVFWFLSA-N 1 2 373.413 2.187 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC000503202843 561636570 /nfs/dbraw/zinc/63/65/70/561636570.db2.gz GUPHNKFISBPBTN-OAHLLOKOSA-N 1 2 353.382 2.021 20 5 FEBDLO COC(=O)c1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)s1 ZINC000298188601 553395883 /nfs/dbraw/zinc/39/58/83/553395883.db2.gz WOJTYQQHZBAMCT-UHFFFAOYSA-N 1 2 362.411 2.160 20 5 FEBDLO CCOC1(C)CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000298228306 553400828 /nfs/dbraw/zinc/40/08/28/553400828.db2.gz HCVZSIQGWFSQEU-UHFFFAOYSA-N 1 2 351.403 2.433 20 5 FEBDLO COc1ccccc1[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[NH+](C)C ZINC000503497327 561642822 /nfs/dbraw/zinc/64/28/22/561642822.db2.gz QDOUQGNOBPTYDW-INIZCTEOSA-N 1 2 359.382 2.342 20 5 FEBDLO Cn1cc[nH+]c1[C@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000503531630 561643972 /nfs/dbraw/zinc/64/39/72/561643972.db2.gz BPXUEBBPGFAFNQ-OAHLLOKOSA-N 1 2 369.385 2.155 20 5 FEBDLO O=C(c1ccccc1)c1ccc(NC[C@H]2C[NH+]3CCN2CC3)c([N+](=O)[O-])c1 ZINC000301777404 553678659 /nfs/dbraw/zinc/67/86/59/553678659.db2.gz LZMWFQPUWKICDR-KRWDZBQOSA-N 1 2 366.421 2.238 20 5 FEBDLO O=c1[nH]cnc2cc(N[C@H]3CCN(c4cccc[nH+]4)C3)c([N+](=O)[O-])cc21 ZINC000301786733 553679100 /nfs/dbraw/zinc/67/91/00/553679100.db2.gz WIROHXJAGWPGBF-NSHDSACASA-N 1 2 352.354 2.329 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cc(N4CCCCC4)[nH+]cn3)C2)nc1 ZINC000302776831 553732231 /nfs/dbraw/zinc/73/22/31/553732231.db2.gz FUBUNTFNWVIHRR-AWEZNQCLSA-N 1 2 369.429 2.461 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cc(N4CCCCC4)nc[nH+]3)C2)nc1 ZINC000302776831 553732232 /nfs/dbraw/zinc/73/22/32/553732232.db2.gz FUBUNTFNWVIHRR-AWEZNQCLSA-N 1 2 369.429 2.461 20 5 FEBDLO COc1ccccc1[C@@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC[NH2+]1 ZINC000505500082 561672347 /nfs/dbraw/zinc/67/23/47/561672347.db2.gz UUCPUNLOLBCMKG-ZDUSSCGKSA-N 1 2 373.413 2.237 20 5 FEBDLO COc1ccccc1[C@@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC[NH2+]1 ZINC000505500082 561672348 /nfs/dbraw/zinc/67/23/48/561672348.db2.gz UUCPUNLOLBCMKG-ZDUSSCGKSA-N 1 2 373.413 2.237 20 5 FEBDLO Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000507515030 561731512 /nfs/dbraw/zinc/73/15/12/561731512.db2.gz CRRJFQRAFJJKON-CYBMUJFWSA-N 1 2 353.400 2.077 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000330693725 554158685 /nfs/dbraw/zinc/15/86/85/554158685.db2.gz CMRDASOLGYFJJI-CZUORRHYSA-N 1 2 365.430 2.271 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000330693725 554158687 /nfs/dbraw/zinc/15/86/87/554158687.db2.gz CMRDASOLGYFJJI-CZUORRHYSA-N 1 2 365.430 2.271 20 5 FEBDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330815060 554175191 /nfs/dbraw/zinc/17/51/91/554175191.db2.gz QNPZOSABQSHEJP-ZDUSSCGKSA-N 1 2 361.851 2.150 20 5 FEBDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330815060 554175195 /nfs/dbraw/zinc/17/51/95/554175195.db2.gz QNPZOSABQSHEJP-ZDUSSCGKSA-N 1 2 361.851 2.150 20 5 FEBDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000331948846 554350738 /nfs/dbraw/zinc/35/07/38/554350738.db2.gz QOSXRMNLUNEXFW-OAHLLOKOSA-N 1 2 360.458 2.160 20 5 FEBDLO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000331948846 554350743 /nfs/dbraw/zinc/35/07/43/554350743.db2.gz QOSXRMNLUNEXFW-OAHLLOKOSA-N 1 2 360.458 2.160 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000511152671 561859423 /nfs/dbraw/zinc/85/94/23/561859423.db2.gz SKTAAPLLYKMRFE-CQSZACIVSA-N 1 2 357.414 2.455 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000511152671 561859424 /nfs/dbraw/zinc/85/94/24/561859424.db2.gz SKTAAPLLYKMRFE-CQSZACIVSA-N 1 2 357.414 2.455 20 5 FEBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCC(=O)c1cccs1 ZINC000511123156 561858335 /nfs/dbraw/zinc/85/83/35/561858335.db2.gz PUROXZPRODSDHB-UHFFFAOYSA-N 1 2 361.423 2.130 20 5 FEBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCC(=O)c1cccs1 ZINC000511123156 561858336 /nfs/dbraw/zinc/85/83/36/561858336.db2.gz PUROXZPRODSDHB-UHFFFAOYSA-N 1 2 361.423 2.130 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000350248762 554772750 /nfs/dbraw/zinc/77/27/50/554772750.db2.gz QLMHCZNPNCWXLS-UHFFFAOYSA-N 1 2 351.326 2.290 20 5 FEBDLO CCc1nc([C@@H]2CCC[N@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000363018021 555011281 /nfs/dbraw/zinc/01/12/81/555011281.db2.gz MKQBFKCWFACWEM-CYBMUJFWSA-N 1 2 373.413 2.383 20 5 FEBDLO CCc1nc([C@@H]2CCC[N@@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000363018021 555011285 /nfs/dbraw/zinc/01/12/85/555011285.db2.gz MKQBFKCWFACWEM-CYBMUJFWSA-N 1 2 373.413 2.383 20 5 FEBDLO Cc1sc(C(=O)NC2CCN(c3cc(C)[nH+]cn3)CC2)cc1[N+](=O)[O-] ZINC000364186228 555265697 /nfs/dbraw/zinc/26/56/97/555265697.db2.gz GPBXPNZORYMLGQ-UHFFFAOYSA-N 1 2 361.427 2.462 20 5 FEBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365632480 555627656 /nfs/dbraw/zinc/62/76/56/555627656.db2.gz JUOCDSOPKLFGCL-ZDUSSCGKSA-N 1 2 357.414 2.414 20 5 FEBDLO O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCn2c[nH+]cc2C1 ZINC000365741865 555656586 /nfs/dbraw/zinc/65/65/86/555656586.db2.gz ILDBJLFNCLXPBQ-UHFFFAOYSA-N 1 2 357.189 2.271 20 5 FEBDLO CCO[C@H](C)c1noc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000365819043 555675006 /nfs/dbraw/zinc/67/50/06/555675006.db2.gz IAMJYTMFLIYSGM-LLVKDONJSA-N 1 2 350.379 2.109 20 5 FEBDLO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513648660 561945751 /nfs/dbraw/zinc/94/57/51/561945751.db2.gz UHWHWZHSZVDRJC-CXAGYDPISA-N 1 2 359.430 2.312 20 5 FEBDLO Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)c(C)c[nH+]1 ZINC000367332931 556020492 /nfs/dbraw/zinc/02/04/92/556020492.db2.gz KIOIZOHYEDSEAE-GFCCVEGCSA-N 1 2 372.356 2.159 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000367334653 556021225 /nfs/dbraw/zinc/02/12/25/556021225.db2.gz PMVUSHDKPQLQGF-MRXNPFEDSA-N 1 2 373.413 2.421 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000367334653 556021227 /nfs/dbraw/zinc/02/12/27/556021227.db2.gz PMVUSHDKPQLQGF-MRXNPFEDSA-N 1 2 373.413 2.421 20 5 FEBDLO Cc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000367393523 556036770 /nfs/dbraw/zinc/03/67/70/556036770.db2.gz CYYURWFQNWIELR-UHFFFAOYSA-N 1 2 371.328 2.259 20 5 FEBDLO COC(=O)COc1ccc(C[NH2+]Cc2ccn(C(C)C)n2)cc1[N+](=O)[O-] ZINC000514982347 561990152 /nfs/dbraw/zinc/99/01/52/561990152.db2.gz WWNRXGZHFZYYMH-UHFFFAOYSA-N 1 2 362.386 2.214 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc3nsnc3c([N+](=O)[O-])c1)CCC2 ZINC000368066486 556209216 /nfs/dbraw/zinc/20/92/16/556209216.db2.gz ZCXCXNKDSHBEOZ-JTQLQIEISA-N 1 2 372.410 2.412 20 5 FEBDLO COc1ccc(NC(=O)C[NH+]2CCC([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000368335018 556281034 /nfs/dbraw/zinc/28/10/34/556281034.db2.gz XVMBKTPHMWDPID-CQSZACIVSA-N 1 2 363.414 2.290 20 5 FEBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(n3cccn3)CC2)c([N+](=O)[O-])c1 ZINC000369120811 556510072 /nfs/dbraw/zinc/51/00/72/556510072.db2.gz YTWXIHUHAZNLPI-UHFFFAOYSA-N 1 2 373.413 2.466 20 5 FEBDLO C[NH+]1CCN(C[C@@H]2CCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000369309785 556571233 /nfs/dbraw/zinc/57/12/33/556571233.db2.gz IAUMMTAHGMKKQB-IJDCCNJMSA-N 1 2 372.469 2.094 20 5 FEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CC(n3cc(-c4ccccc4)nn3)C2)c1 ZINC000369986750 556749803 /nfs/dbraw/zinc/74/98/03/556749803.db2.gz RTJQSRHZZUSGGH-IBGZPJMESA-N 1 2 365.393 2.444 20 5 FEBDLO Cc1ccc(C(=O)NC2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)s1 ZINC000370035757 556763668 /nfs/dbraw/zinc/76/36/68/556763668.db2.gz GQVPDGNMZNUERA-UHFFFAOYSA-N 1 2 363.443 2.093 20 5 FEBDLO CCOC(=O)c1ccnc(N(C)Cc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000370182522 556804086 /nfs/dbraw/zinc/80/40/86/556804086.db2.gz JAIBUUQUZXGVIT-UHFFFAOYSA-N 1 2 359.386 2.336 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@]2(CCCOC2)O1 ZINC000370711753 556946731 /nfs/dbraw/zinc/94/67/31/556946731.db2.gz XXQKJOZFRXXLDI-FZKQIMNGSA-N 1 2 364.398 2.231 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@]2(CCCOC2)O1 ZINC000370711753 556946734 /nfs/dbraw/zinc/94/67/34/556946734.db2.gz XXQKJOZFRXXLDI-FZKQIMNGSA-N 1 2 364.398 2.231 20 5 FEBDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372456554 557475871 /nfs/dbraw/zinc/47/58/71/557475871.db2.gz SPBAFGMVRZGREF-ARFHVFGLSA-N 1 2 374.397 2.351 20 5 FEBDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372456554 557475873 /nfs/dbraw/zinc/47/58/73/557475873.db2.gz SPBAFGMVRZGREF-ARFHVFGLSA-N 1 2 374.397 2.351 20 5 FEBDLO C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373583677 557722623 /nfs/dbraw/zinc/72/26/23/557722623.db2.gz JSNFEEUHUFDZNA-HIFRSBDPSA-N 1 2 368.401 2.165 20 5 FEBDLO C[C@H](c1nnnn1-c1ccccc1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373583677 557722624 /nfs/dbraw/zinc/72/26/24/557722624.db2.gz JSNFEEUHUFDZNA-HIFRSBDPSA-N 1 2 368.401 2.165 20 5 FEBDLO Cc1cccc(N2CCC(NC(=O)c3cccc(O)c3[N+](=O)[O-])CC2)[nH+]1 ZINC000373839692 557770709 /nfs/dbraw/zinc/77/07/09/557770709.db2.gz RQNVSWUZGUCXAB-UHFFFAOYSA-N 1 2 356.382 2.403 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000373917520 557786708 /nfs/dbraw/zinc/78/67/08/557786708.db2.gz KSDFNYDBCKLZIG-MRXNPFEDSA-N 1 2 372.381 2.361 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000375935051 558102324 /nfs/dbraw/zinc/10/23/24/558102324.db2.gz UNMOAKMPXICGFE-CYBMUJFWSA-N 1 2 364.427 2.038 20 5 FEBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000376875541 558232684 /nfs/dbraw/zinc/23/26/84/558232684.db2.gz KHBWTXAMFIEBQP-UHFFFAOYSA-N 1 2 372.410 2.105 20 5 FEBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377330601 558316989 /nfs/dbraw/zinc/31/69/89/558316989.db2.gz NIBJFMYSZKENDD-AWEZNQCLSA-N 1 2 357.414 2.497 20 5 FEBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377330601 558316991 /nfs/dbraw/zinc/31/69/91/558316991.db2.gz NIBJFMYSZKENDD-AWEZNQCLSA-N 1 2 357.414 2.497 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000377990548 558458780 /nfs/dbraw/zinc/45/87/80/558458780.db2.gz KSZXHXKSACOIDZ-JTQLQIEISA-N 1 2 364.793 2.184 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H](c2nnc[nH]2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000377990548 558458783 /nfs/dbraw/zinc/45/87/83/558458783.db2.gz KSZXHXKSACOIDZ-JTQLQIEISA-N 1 2 364.793 2.184 20 5 FEBDLO O=C(N[C@@]1(C(F)(F)F)CCOC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000410858448 558817406 /nfs/dbraw/zinc/81/74/06/558817406.db2.gz KYOLGAULYFPEJQ-AWEZNQCLSA-N 1 2 370.287 2.232 20 5 FEBDLO Cc1[nH+]c2cc(NC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2n1C ZINC000525904045 562259096 /nfs/dbraw/zinc/25/90/96/562259096.db2.gz RMRSORYMTGJSGV-UHFFFAOYSA-N 1 2 353.338 2.367 20 5 FEBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000412159483 559017677 /nfs/dbraw/zinc/01/76/77/559017677.db2.gz RPTSLTOUFNTOTN-CEXWTWQISA-N 1 2 373.453 2.412 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413069078 559074708 /nfs/dbraw/zinc/07/47/08/559074708.db2.gz LOBPWYYMTNVQFC-QWHCGFSZSA-N 1 2 373.413 2.213 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413069078 559074710 /nfs/dbraw/zinc/07/47/10/559074710.db2.gz LOBPWYYMTNVQFC-QWHCGFSZSA-N 1 2 373.413 2.213 20 5 FEBDLO CN(C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1)S(C)(=O)=O ZINC000413084456 559076410 /nfs/dbraw/zinc/07/64/10/559076410.db2.gz NMCLPQJYHCRSNU-UHFFFAOYSA-N 1 2 364.427 2.003 20 5 FEBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3ncc([N+](=O)[O-])cc3F)CC2)no1 ZINC000413248899 559091734 /nfs/dbraw/zinc/09/17/34/559091734.db2.gz OTLAFCGHQJEENR-LBPRGKRZSA-N 1 2 364.381 2.311 20 5 FEBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3ncc([N+](=O)[O-])cc3F)CC2)no1 ZINC000413248899 559091735 /nfs/dbraw/zinc/09/17/35/559091735.db2.gz OTLAFCGHQJEENR-LBPRGKRZSA-N 1 2 364.381 2.311 20 5 FEBDLO Cn1ccnc1[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[N@@H+]1C ZINC000413264998 559093472 /nfs/dbraw/zinc/09/34/72/559093472.db2.gz KFQRQGKIZAHCLM-INIZCTEOSA-N 1 2 352.398 2.370 20 5 FEBDLO Cn1ccnc1[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[N@H+]1C ZINC000413264998 559093473 /nfs/dbraw/zinc/09/34/73/559093473.db2.gz KFQRQGKIZAHCLM-INIZCTEOSA-N 1 2 352.398 2.370 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CCN1C ZINC000413264998 559093474 /nfs/dbraw/zinc/09/34/74/559093474.db2.gz KFQRQGKIZAHCLM-INIZCTEOSA-N 1 2 352.398 2.370 20 5 FEBDLO C[C@@H](O)[C@H]1CCN(c2cc(N(C)CCc3cccc([N+](=O)[O-])c3)[nH+]cn2)C1 ZINC000413282152 559095127 /nfs/dbraw/zinc/09/51/27/559095127.db2.gz LNGHJUNTYRGMLR-ZBFHGGJFSA-N 1 2 371.441 2.271 20 5 FEBDLO C[C@@H](O)[C@H]1CCN(c2cc(N(C)CCc3cccc([N+](=O)[O-])c3)nc[nH+]2)C1 ZINC000413282152 559095128 /nfs/dbraw/zinc/09/51/28/559095128.db2.gz LNGHJUNTYRGMLR-ZBFHGGJFSA-N 1 2 371.441 2.271 20 5 FEBDLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000416302701 559304279 /nfs/dbraw/zinc/30/42/79/559304279.db2.gz WWFIKXVHUZLCTB-VXGBXAGGSA-N 1 2 363.439 2.337 20 5 FEBDLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000416302701 559304280 /nfs/dbraw/zinc/30/42/80/559304280.db2.gz WWFIKXVHUZLCTB-VXGBXAGGSA-N 1 2 363.439 2.337 20 5 FEBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000428074667 559769371 /nfs/dbraw/zinc/76/93/71/559769371.db2.gz FPADWROBLYYVJP-CYBMUJFWSA-N 1 2 355.822 2.397 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000428074667 559769372 /nfs/dbraw/zinc/76/93/72/559769372.db2.gz FPADWROBLYYVJP-CYBMUJFWSA-N 1 2 355.822 2.397 20 5 FEBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000429210738 559793118 /nfs/dbraw/zinc/79/31/18/559793118.db2.gz UQBWZHMBRHTSHP-UHFFFAOYSA-N 1 2 370.409 2.407 20 5 FEBDLO CN(C)c1[nH+]cccc1N(C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000430464215 559820498 /nfs/dbraw/zinc/82/04/98/559820498.db2.gz MKLRGYCPRBEWAN-UHFFFAOYSA-N 1 2 372.381 2.033 20 5 FEBDLO COC[C@@H](Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCO1 ZINC000432942972 559868318 /nfs/dbraw/zinc/86/83/18/559868318.db2.gz DXAASVKXNAFPJN-HZPDHXFCSA-N 1 2 358.398 2.388 20 5 FEBDLO CCC(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[NH+]1CCOCC1 ZINC000436847128 559954105 /nfs/dbraw/zinc/95/41/05/559954105.db2.gz ZHAABNGDICYYIU-MRXNPFEDSA-N 1 2 365.430 2.167 20 5 FEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000447658655 560165943 /nfs/dbraw/zinc/16/59/43/560165943.db2.gz IOWFXQGXASBYBR-NVXWUHKLSA-N 1 2 363.458 2.343 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC(CCCO)CC1 ZINC000447806347 560169533 /nfs/dbraw/zinc/16/95/33/560169533.db2.gz MMXHIMWSLNWHAN-UHFFFAOYSA-N 1 2 363.458 2.416 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000447838689 560170731 /nfs/dbraw/zinc/17/07/31/560170731.db2.gz CVNKQPRUFNEKRE-DEYYWGMASA-N 1 2 363.414 2.110 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000447838689 560170732 /nfs/dbraw/zinc/17/07/32/560170732.db2.gz CVNKQPRUFNEKRE-DEYYWGMASA-N 1 2 363.414 2.110 20 5 FEBDLO Cc1nc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)no1 ZINC000449981418 560247051 /nfs/dbraw/zinc/24/70/51/560247051.db2.gz YAXNEQYCMNOWAL-CQSZACIVSA-N 1 2 368.353 2.449 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2csc(NC[C@@H]3C[N@@H+](C4CC4)CCO3)n2)cc1 ZINC000450318524 560258484 /nfs/dbraw/zinc/25/84/84/560258484.db2.gz NYWHKHHKKQRTEF-OAHLLOKOSA-N 1 2 360.439 2.993 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2csc(NC[C@@H]3C[N@H+](C4CC4)CCO3)n2)cc1 ZINC000450318524 560258485 /nfs/dbraw/zinc/25/84/85/560258485.db2.gz NYWHKHHKKQRTEF-OAHLLOKOSA-N 1 2 360.439 2.993 20 5 FEBDLO CCO[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000451548308 560313739 /nfs/dbraw/zinc/31/37/39/560313739.db2.gz VCYLTWQPARKFHN-CJNGLKHVSA-N 1 2 356.444 2.115 20 5 FEBDLO CCO[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000451548308 560313740 /nfs/dbraw/zinc/31/37/40/560313740.db2.gz VCYLTWQPARKFHN-CJNGLKHVSA-N 1 2 356.444 2.115 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000451692573 560322219 /nfs/dbraw/zinc/32/22/19/560322219.db2.gz UPFVNASKULMDKX-AWEZNQCLSA-N 1 2 364.427 2.409 20 5 FEBDLO C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H](C)[N@H+]1CCO ZINC000456221092 560512235 /nfs/dbraw/zinc/51/22/35/560512235.db2.gz FPETVMOWTQIYTP-TXEJJXNPSA-N 1 2 363.439 2.337 20 5 FEBDLO C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H](C)[N@@H+]1CCO ZINC000456221092 560512236 /nfs/dbraw/zinc/51/22/36/560512236.db2.gz FPETVMOWTQIYTP-TXEJJXNPSA-N 1 2 363.439 2.337 20 5 FEBDLO C[NH+](C)Cc1csc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)n1 ZINC000457288096 560560374 /nfs/dbraw/zinc/56/03/74/560560374.db2.gz AQUXNRTWYYKHTK-UHFFFAOYSA-N 1 2 350.356 2.094 20 5 FEBDLO Cc1cc(C(=O)N2CC[N@H+](Cc3cccc([N+](=O)[O-])c3C)[C@H](C)C2)[nH]n1 ZINC000459561484 560694439 /nfs/dbraw/zinc/69/44/39/560694439.db2.gz DTZUSJXMDAQAFI-CYBMUJFWSA-N 1 2 357.414 2.281 20 5 FEBDLO Cc1cc(C(=O)N2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)[C@H](C)C2)[nH]n1 ZINC000459561484 560694440 /nfs/dbraw/zinc/69/44/40/560694440.db2.gz DTZUSJXMDAQAFI-CYBMUJFWSA-N 1 2 357.414 2.281 20 5 FEBDLO Cc1cc(C(=O)N2CC[N@H+](Cc3cccc([N+](=O)[O-])c3C)[C@H](C)C2)n[nH]1 ZINC000459561484 560694441 /nfs/dbraw/zinc/69/44/41/560694441.db2.gz DTZUSJXMDAQAFI-CYBMUJFWSA-N 1 2 357.414 2.281 20 5 FEBDLO Cc1cc(C(=O)N2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)[C@H](C)C2)n[nH]1 ZINC000459561484 560694442 /nfs/dbraw/zinc/69/44/42/560694442.db2.gz DTZUSJXMDAQAFI-CYBMUJFWSA-N 1 2 357.414 2.281 20 5 FEBDLO CCOC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000459726555 560704876 /nfs/dbraw/zinc/70/48/76/560704876.db2.gz XXGHNYWBACLOQE-GFCCVEGCSA-N 1 2 365.386 2.153 20 5 FEBDLO CCOC[C@H]1CCCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000459726555 560704877 /nfs/dbraw/zinc/70/48/77/560704877.db2.gz XXGHNYWBACLOQE-GFCCVEGCSA-N 1 2 365.386 2.153 20 5 FEBDLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461413442 560770719 /nfs/dbraw/zinc/77/07/19/560770719.db2.gz CITJTGSVJMIWRX-UHFFFAOYSA-N 1 2 365.349 2.210 20 5 FEBDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464680141 560848441 /nfs/dbraw/zinc/84/84/41/560848441.db2.gz WAPPCANLNBADEB-NSHDSACASA-N 1 2 358.391 2.223 20 5 FEBDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464680141 560848443 /nfs/dbraw/zinc/84/84/43/560848443.db2.gz WAPPCANLNBADEB-NSHDSACASA-N 1 2 358.391 2.223 20 5 FEBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000470141566 560975246 /nfs/dbraw/zinc/97/52/46/560975246.db2.gz LEBSIUGZQWFWJN-UHFFFAOYSA-N 1 2 359.361 2.479 20 5 FEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000470177772 560976202 /nfs/dbraw/zinc/97/62/02/560976202.db2.gz FVSXARJCQMKSFM-STTHAQSSSA-N 1 2 372.469 2.283 20 5 FEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000470177772 560976203 /nfs/dbraw/zinc/97/62/03/560976203.db2.gz FVSXARJCQMKSFM-STTHAQSSSA-N 1 2 372.469 2.283 20 5 FEBDLO Cc1cccc(C[N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)n1 ZINC000471194986 560999980 /nfs/dbraw/zinc/99/99/80/560999980.db2.gz QMYOBMPIHFEXJI-UHFFFAOYSA-N 1 2 358.354 2.097 20 5 FEBDLO Cc1cccc(C[N@@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)n1 ZINC000471194986 560999981 /nfs/dbraw/zinc/99/99/81/560999981.db2.gz QMYOBMPIHFEXJI-UHFFFAOYSA-N 1 2 358.354 2.097 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCNc1cccc[nH+]1 ZINC000472331844 561024504 /nfs/dbraw/zinc/02/45/04/561024504.db2.gz YSMVDGSAGPAQIS-UHFFFAOYSA-N 1 2 356.791 2.034 20 5 FEBDLO COc1c(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000474417478 561073648 /nfs/dbraw/zinc/07/36/48/561073648.db2.gz SJKIDDCQCUQSHF-CQSZACIVSA-N 1 2 365.430 2.080 20 5 FEBDLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000532433087 562477880 /nfs/dbraw/zinc/47/78/80/562477880.db2.gz SZGKWOYJXTUTKH-CVEARBPZSA-N 1 2 351.378 2.107 20 5 FEBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCO1 ZINC000532623094 562483577 /nfs/dbraw/zinc/48/35/77/562483577.db2.gz ZPKOXDNSWOXGAC-SNVBAGLBSA-N 1 2 361.320 2.064 20 5 FEBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCO1 ZINC000532623094 562483578 /nfs/dbraw/zinc/48/35/78/562483578.db2.gz ZPKOXDNSWOXGAC-SNVBAGLBSA-N 1 2 361.320 2.064 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000533303346 562504495 /nfs/dbraw/zinc/50/44/95/562504495.db2.gz PUUVBSISVUVZBJ-XJKSGUPXSA-N 1 2 360.414 2.009 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000533303346 562504496 /nfs/dbraw/zinc/50/44/96/562504496.db2.gz PUUVBSISVUVZBJ-XJKSGUPXSA-N 1 2 360.414 2.009 20 5 FEBDLO C[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000546104060 562633694 /nfs/dbraw/zinc/63/36/94/562633694.db2.gz FLJPCCRDIVATAZ-AWEZNQCLSA-N 1 2 372.219 2.143 20 5 FEBDLO O=[N+]([O-])c1ccn(Cc2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)n1 ZINC000545571923 562629202 /nfs/dbraw/zinc/62/92/02/562629202.db2.gz ULFJMZYAHRSJSC-UHFFFAOYSA-N 1 2 351.326 2.134 20 5 FEBDLO C[C@@]1(CO)CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000546104060 562633695 /nfs/dbraw/zinc/63/36/95/562633695.db2.gz FLJPCCRDIVATAZ-AWEZNQCLSA-N 1 2 372.219 2.143 20 5 FEBDLO C[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000546104061 562633672 /nfs/dbraw/zinc/63/36/72/562633672.db2.gz FLJPCCRDIVATAZ-CQSZACIVSA-N 1 2 372.219 2.143 20 5 FEBDLO C[C@]1(CO)CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000546104061 562633673 /nfs/dbraw/zinc/63/36/73/562633673.db2.gz FLJPCCRDIVATAZ-CQSZACIVSA-N 1 2 372.219 2.143 20 5 FEBDLO CO[C@@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000809951477 674521654 /nfs/dbraw/zinc/52/16/54/674521654.db2.gz DUSMKJHNSMOTJV-GFCCVEGCSA-N 1 2 362.167 2.420 20 5 FEBDLO CO[C@@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000809951477 674521655 /nfs/dbraw/zinc/52/16/55/674521655.db2.gz DUSMKJHNSMOTJV-GFCCVEGCSA-N 1 2 362.167 2.420 20 5 FEBDLO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000825323183 609532327 /nfs/dbraw/zinc/53/23/27/609532327.db2.gz QFUYSLIKMXHPRO-UHFFFAOYSA-N 1 2 356.390 2.150 20 5 FEBDLO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000825323183 609532329 /nfs/dbraw/zinc/53/23/29/609532329.db2.gz QFUYSLIKMXHPRO-UHFFFAOYSA-N 1 2 356.390 2.150 20 5 FEBDLO C[C@H](CC[S@](C)=O)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000560545971 674598479 /nfs/dbraw/zinc/59/84/79/674598479.db2.gz RJXFYHXTYCIZGP-VQGQKXPLSA-N 1 2 350.444 2.164 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000565780626 675151033 /nfs/dbraw/zinc/15/10/33/675151033.db2.gz DMMVSNDNVLDEKG-BZQUYTCOSA-N 1 2 362.455 2.309 20 5 FEBDLO CCc1ccc(S(=O)(=O)N(C)c2ccc[nH+]c2N(C)C)cc1[N+](=O)[O-] ZINC000566170092 675189340 /nfs/dbraw/zinc/18/93/40/675189340.db2.gz PHDKHMAXBJLULC-UHFFFAOYSA-N 1 2 364.427 2.443 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609134697 675911418 /nfs/dbraw/zinc/91/14/18/675911418.db2.gz IBSMEZBWWHWPDY-AWEZNQCLSA-N 1 2 350.400 2.126 20 5 FEBDLO C[C@H]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000119980721 671913887 /nfs/dbraw/zinc/91/38/87/671913887.db2.gz ANEOZQHBGXCOGE-JQWIXIFHSA-N 1 2 356.429 2.125 20 5 FEBDLO O=C(CCNc1ccsc1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000610575570 675982179 /nfs/dbraw/zinc/98/21/79/675982179.db2.gz RPPQPKMCMHOLRD-UHFFFAOYSA-N 1 2 361.427 2.202 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000583992016 672145198 /nfs/dbraw/zinc/14/51/98/672145198.db2.gz KMRFMUMXQZPITB-TZMCWYRMSA-N 1 2 351.403 2.430 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000583992016 672145202 /nfs/dbraw/zinc/14/52/02/672145202.db2.gz KMRFMUMXQZPITB-TZMCWYRMSA-N 1 2 351.403 2.430 20 5 FEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159064639 672276874 /nfs/dbraw/zinc/27/68/74/672276874.db2.gz IKYLLIYNLMQBKI-SECBINFHSA-N 1 2 353.176 2.372 20 5 FEBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587036169 672439996 /nfs/dbraw/zinc/43/99/96/672439996.db2.gz MBUISCGLCRUHBZ-ZYHUDNBSSA-N 1 2 364.789 2.343 20 5 FEBDLO CCOC(=O)C1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611249539 676028272 /nfs/dbraw/zinc/02/82/72/676028272.db2.gz RIODUGRSEMPPOM-UHFFFAOYSA-N 1 2 350.371 2.141 20 5 FEBDLO CSC[C@@H](CCO)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000611560931 676044309 /nfs/dbraw/zinc/04/43/09/676044309.db2.gz OJRBEKXCNMAISD-HIFRSBDPSA-N 1 2 350.444 2.121 20 5 FEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000595496297 673258141 /nfs/dbraw/zinc/25/81/41/673258141.db2.gz GLGJEISUDSJFSC-LBPRGKRZSA-N 1 2 371.434 2.028 20 5 FEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000595496297 673258145 /nfs/dbraw/zinc/25/81/45/673258145.db2.gz GLGJEISUDSJFSC-LBPRGKRZSA-N 1 2 371.434 2.028 20 5 FEBDLO C[C@H]1SCC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1C ZINC000735666796 673499460 /nfs/dbraw/zinc/49/94/60/673499460.db2.gz FRQJWZGPNBRSAP-NWDGAFQWSA-N 1 2 364.427 2.147 20 5 FEBDLO C[C@H]1SCC[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1C ZINC000735666796 673499462 /nfs/dbraw/zinc/49/94/62/673499462.db2.gz FRQJWZGPNBRSAP-NWDGAFQWSA-N 1 2 364.427 2.147 20 5 FEBDLO CC[N@@H+]1CC[C@@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000542120875 673562492 /nfs/dbraw/zinc/56/24/92/673562492.db2.gz DOLAYQWTJUQACT-GHMZBOCLSA-N 1 2 361.489 2.369 20 5 FEBDLO CC[N@H+]1CC[C@@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000542120875 673562494 /nfs/dbraw/zinc/56/24/94/673562494.db2.gz DOLAYQWTJUQACT-GHMZBOCLSA-N 1 2 361.489 2.369 20 5 FEBDLO COc1cc(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000598642350 673593362 /nfs/dbraw/zinc/59/33/62/673593362.db2.gz GTCUFZVVVKXBAO-OAHLLOKOSA-N 1 2 362.407 2.363 20 5 FEBDLO Cc1ccc(S(=O)(=O)NC[C@@H](C)Cn2cc[nH+]c2)c(C)c1[N+](=O)[O-] ZINC000598734897 673604619 /nfs/dbraw/zinc/60/46/19/673604619.db2.gz QIYGKHIZYUSGHP-LLVKDONJSA-N 1 2 352.416 2.023 20 5 FEBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598949304 673624397 /nfs/dbraw/zinc/62/43/97/673624397.db2.gz YATVXHQILNVZQC-VIFPVBQESA-N 1 2 365.187 2.217 20 5 FEBDLO CN(CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000599095384 673632950 /nfs/dbraw/zinc/63/29/50/673632950.db2.gz SDCJDFWFJFLPNO-OAHLLOKOSA-N 1 2 353.373 2.204 20 5 FEBDLO Cc1cc(NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000599129825 673635217 /nfs/dbraw/zinc/63/52/17/673635217.db2.gz IILBRCSMIYHCEG-QGZVFWFLSA-N 1 2 353.394 2.070 20 5 FEBDLO Cc1cc(NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000599129825 673635219 /nfs/dbraw/zinc/63/52/19/673635219.db2.gz IILBRCSMIYHCEG-QGZVFWFLSA-N 1 2 353.394 2.070 20 5 FEBDLO COCCC1CC[NH+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000599506490 673686041 /nfs/dbraw/zinc/68/60/41/673686041.db2.gz CZNNZXOPNRKCOP-UHFFFAOYSA-N 1 2 351.403 2.290 20 5 FEBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599785073 673717051 /nfs/dbraw/zinc/71/70/51/673717051.db2.gz WXLMHHYYBRKYJJ-VIFPVBQESA-N 1 2 365.187 2.299 20 5 FEBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000601135601 673828023 /nfs/dbraw/zinc/82/80/23/673828023.db2.gz WPAQUERJDFETLS-SECBINFHSA-N 1 2 356.308 2.433 20 5 FEBDLO COC1CC[NH+](Cc2cn(Cc3ccc([N+](=O)[O-])cc3Cl)nn2)CC1 ZINC000603218507 673919154 /nfs/dbraw/zinc/91/91/54/673919154.db2.gz OVDZQCPFRCYGPJ-UHFFFAOYSA-N 1 2 365.821 2.499 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000822860683 675512075 /nfs/dbraw/zinc/51/20/75/675512075.db2.gz BLIGIORAINSBOX-UHFFFAOYSA-N 1 2 367.471 2.500 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000618068219 676318193 /nfs/dbraw/zinc/31/81/93/676318193.db2.gz HXVFGVSJMHGKSO-GFCCVEGCSA-N 1 2 357.407 2.029 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000618068219 676318194 /nfs/dbraw/zinc/31/81/94/676318194.db2.gz HXVFGVSJMHGKSO-GFCCVEGCSA-N 1 2 357.407 2.029 20 5 FEBDLO C[N@@H+]1CCC[C@H](NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000830150774 677027623 /nfs/dbraw/zinc/02/76/23/677027623.db2.gz NFVIVXVSIWNVHQ-QMMMGPOBSA-N 1 2 368.242 2.274 20 5 FEBDLO C[N@H+]1CCC[C@H](NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000830150774 677027625 /nfs/dbraw/zinc/02/76/25/677027625.db2.gz NFVIVXVSIWNVHQ-QMMMGPOBSA-N 1 2 368.242 2.274 20 5 FEBDLO CN(C)c1cc(Cn2cc(Br)cc([N+](=O)[O-])c2=O)cc[nH+]1 ZINC000762478360 680750959 /nfs/dbraw/zinc/75/09/59/680750959.db2.gz GIEBCHTUZFCCIS-UHFFFAOYSA-N 1 2 353.176 2.028 20 5 FEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000765737812 680853229 /nfs/dbraw/zinc/85/32/29/680853229.db2.gz HBJNAMMWRDLYLZ-QWRGUYRKSA-N 1 2 361.851 2.351 20 5 FEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000765737812 680853231 /nfs/dbraw/zinc/85/32/31/680853231.db2.gz HBJNAMMWRDLYLZ-QWRGUYRKSA-N 1 2 361.851 2.351 20 5 FEBDLO CNC(=O)c1ccc(N2CCC([N@H+](C)CC(F)F)CC2)c([N+](=O)[O-])c1 ZINC000749288180 680036323 /nfs/dbraw/zinc/03/63/23/680036323.db2.gz XKJIDNNKUYNWIM-UHFFFAOYSA-N 1 2 356.373 2.120 20 5 FEBDLO CNC(=O)c1ccc(N2CCC([N@@H+](C)CC(F)F)CC2)c([N+](=O)[O-])c1 ZINC000749288180 680036329 /nfs/dbraw/zinc/03/63/29/680036329.db2.gz XKJIDNNKUYNWIM-UHFFFAOYSA-N 1 2 356.373 2.120 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1sccc1Cl ZINC001029304959 680387589 /nfs/dbraw/zinc/38/75/89/680387589.db2.gz OVEWHSNAJNYUKD-LSCVPOLPSA-N 1 2 355.847 2.242 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1sccc1Cl ZINC001029304959 680387595 /nfs/dbraw/zinc/38/75/95/680387595.db2.gz OVEWHSNAJNYUKD-LSCVPOLPSA-N 1 2 355.847 2.242 20 5 FEBDLO O=C(NC1(C2CC[NH+](C/C(Cl)=C\Cl)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000153084 680421515 /nfs/dbraw/zinc/42/15/15/680421515.db2.gz IEDZMYWWZWIAJQ-NALFIARHSA-N 1 2 362.257 2.331 20 5 FEBDLO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000757355847 680523082 /nfs/dbraw/zinc/52/30/82/680523082.db2.gz KBDYOZJLNQKPPF-UHFFFAOYSA-N 1 2 354.363 2.025 20 5 FEBDLO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000845736014 681149701 /nfs/dbraw/zinc/14/97/01/681149701.db2.gz NSURNQPOXWHXCO-GFCCVEGCSA-N 1 2 370.427 2.028 20 5 FEBDLO CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000845736014 681149702 /nfs/dbraw/zinc/14/97/02/681149702.db2.gz NSURNQPOXWHXCO-GFCCVEGCSA-N 1 2 370.427 2.028 20 5 FEBDLO CC(=O)N(C)C1CC[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774626865 681212426 /nfs/dbraw/zinc/21/24/26/681212426.db2.gz LLRRLVGDNXYLCJ-UHFFFAOYSA-N 1 2 365.821 2.498 20 5 FEBDLO CN(C)C(=O)C1CC[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774634466 681213080 /nfs/dbraw/zinc/21/30/80/681213080.db2.gz KFJYXVLXDNXGEE-UHFFFAOYSA-N 1 2 365.821 2.356 20 5 FEBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913546811 685479624 /nfs/dbraw/zinc/47/96/24/685479624.db2.gz XYGORQXNYPJNMS-AWEZNQCLSA-N 1 2 367.471 2.236 20 5 FEBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913546811 685479625 /nfs/dbraw/zinc/47/96/25/685479625.db2.gz XYGORQXNYPJNMS-AWEZNQCLSA-N 1 2 367.471 2.236 20 5 FEBDLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783498962 682147718 /nfs/dbraw/zinc/14/77/18/682147718.db2.gz XZRLHCYXASFCPN-GFCCVEGCSA-N 1 2 361.851 2.009 20 5 FEBDLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783498962 682147720 /nfs/dbraw/zinc/14/77/20/682147720.db2.gz XZRLHCYXASFCPN-GFCCVEGCSA-N 1 2 361.851 2.009 20 5 FEBDLO Cc1nn(C)c(Cl)c1C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000788006093 682496447 /nfs/dbraw/zinc/49/64/47/682496447.db2.gz MAHJISHGFGFHBV-GFCCVEGCSA-N 1 2 368.821 2.162 20 5 FEBDLO Cc1nn(C)c(Cl)c1C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000788006093 682496450 /nfs/dbraw/zinc/49/64/50/682496450.db2.gz MAHJISHGFGFHBV-GFCCVEGCSA-N 1 2 368.821 2.162 20 5 FEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[C@H](C)C1 ZINC000796066050 683124457 /nfs/dbraw/zinc/12/44/57/683124457.db2.gz AHXOYAVFNWRIEG-LLVKDONJSA-N 1 2 361.851 2.271 20 5 FEBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[C@H](C)C1 ZINC000796066050 683124460 /nfs/dbraw/zinc/12/44/60/683124460.db2.gz AHXOYAVFNWRIEG-LLVKDONJSA-N 1 2 361.851 2.271 20 5 FEBDLO CC(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000929420112 683592884 /nfs/dbraw/zinc/59/28/84/683592884.db2.gz SIIJKAXJRAIRAM-UHFFFAOYSA-N 1 2 356.220 2.458 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000876406265 686199355 /nfs/dbraw/zinc/19/93/55/686199355.db2.gz KVNFUDDOHNGEFP-MELADBBJSA-N 1 2 350.419 2.064 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000876406265 686199356 /nfs/dbraw/zinc/19/93/56/686199356.db2.gz KVNFUDDOHNGEFP-MELADBBJSA-N 1 2 350.419 2.064 20 5 FEBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000878899537 686686576 /nfs/dbraw/zinc/68/65/76/686686576.db2.gz KNMHUMXUOGZFFC-AWEZNQCLSA-N 1 2 350.419 2.444 20 5 FEBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000878899537 686686581 /nfs/dbraw/zinc/68/65/81/686686581.db2.gz KNMHUMXUOGZFFC-AWEZNQCLSA-N 1 2 350.419 2.444 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c2c(c1)COCO2 ZINC000886795383 688313838 /nfs/dbraw/zinc/31/38/38/688313838.db2.gz RVNQETWCPWPWAL-CQSZACIVSA-N 1 2 362.304 2.208 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c2c(c1)COCO2 ZINC000886795383 688313842 /nfs/dbraw/zinc/31/38/42/688313842.db2.gz RVNQETWCPWPWAL-CQSZACIVSA-N 1 2 362.304 2.208 20 5 FEBDLO COc1c(O)ccc(C[N@@H+]2CC[C@](OC)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000896003785 689805737 /nfs/dbraw/zinc/80/57/37/689805737.db2.gz YMWYJGNKGWOFLU-CYBMUJFWSA-N 1 2 350.293 2.462 20 5 FEBDLO COc1c(O)ccc(C[N@H+]2CC[C@](OC)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000896003785 689805742 /nfs/dbraw/zinc/80/57/42/689805742.db2.gz YMWYJGNKGWOFLU-CYBMUJFWSA-N 1 2 350.293 2.462 20 5 FEBDLO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCC1([NH+]2CCOCC2)CC1 ZINC000907757350 691554375 /nfs/dbraw/zinc/55/43/75/691554375.db2.gz DYDARUYPFQDQEN-UHFFFAOYSA-N 1 2 367.833 2.162 20 5 FEBDLO CSc1nc(Cl)nc(N2CC[NH+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC001165036916 721911654 /nfs/dbraw/zinc/91/16/54/721911654.db2.gz DPBRTIVHAXHOTJ-SNVBAGLBSA-N 1 2 373.866 2.061 20 5 FEBDLO CC(=O)c1ccc(Nc2ccn(CC[NH+]3CCOCC3)n2)c([N+](=O)[O-])c1 ZINC000521813398 887277254 /nfs/dbraw/zinc/27/72/54/887277254.db2.gz LWLATSWYDDQMRO-UHFFFAOYSA-N 1 2 359.386 2.070 20 5 FEBDLO C[C@@H](Sc1[nH+]cnc2c1cnn2C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000011681278 539533178 /nfs/dbraw/zinc/53/31/78/539533178.db2.gz ZHHUJCBYCWBJKY-SECBINFHSA-N 1 2 358.383 2.391 20 5 FEBDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000014006830 539593372 /nfs/dbraw/zinc/59/33/72/539593372.db2.gz DWWTVNCPBIXDLB-UHFFFAOYSA-N 1 2 368.393 2.235 20 5 FEBDLO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000016830387 539637232 /nfs/dbraw/zinc/63/72/32/539637232.db2.gz BPYABIMIULTTRF-GOSISDBHSA-N 1 2 369.421 2.327 20 5 FEBDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000017521532 539642299 /nfs/dbraw/zinc/64/22/99/539642299.db2.gz AVRSMTOPFNDDHK-MRXNPFEDSA-N 1 2 372.406 2.396 20 5 FEBDLO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccs2)CC1 ZINC000023735792 539719765 /nfs/dbraw/zinc/71/97/65/539719765.db2.gz YIOKZCPYHUPFLJ-UHFFFAOYSA-N 1 2 361.423 2.380 20 5 FEBDLO COc1cccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)c2[nH+]ccn2C)c1 ZINC000024020870 539724096 /nfs/dbraw/zinc/72/40/96/539724096.db2.gz KMDLFQVXLUKKJO-MRXNPFEDSA-N 1 2 369.381 2.195 20 5 FEBDLO O=C(CN1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)Nc1ccc(F)cc1 ZINC000025795818 539769739 /nfs/dbraw/zinc/76/97/39/539769739.db2.gz MCINDHQBYWJQBF-UHFFFAOYSA-N 1 2 372.400 2.490 20 5 FEBDLO CN(C(=O)C[NH+]1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000028903273 539839287 /nfs/dbraw/zinc/83/92/87/539839287.db2.gz RIXRPGDTSAHITC-UHFFFAOYSA-N 1 2 354.410 2.380 20 5 FEBDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000032236006 539931365 /nfs/dbraw/zinc/93/13/65/539931365.db2.gz SVPAQDANBMYKIP-UHFFFAOYSA-N 1 2 372.425 2.208 20 5 FEBDLO Cc1nn(C)c(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1[N+](=O)[O-] ZINC000047331124 540304148 /nfs/dbraw/zinc/30/41/48/540304148.db2.gz KORZUMBJWAMXRN-UHFFFAOYSA-N 1 2 359.434 2.185 20 5 FEBDLO C[N@H+](CC(=O)NCCN1CCc2ccccc21)Cc1ccccc1[N+](=O)[O-] ZINC000051383546 540432463 /nfs/dbraw/zinc/43/24/63/540432463.db2.gz CUOJNEZUUGECQK-UHFFFAOYSA-N 1 2 368.437 2.206 20 5 FEBDLO C[N@@H+](CC(=O)NCCN1CCc2ccccc21)Cc1ccccc1[N+](=O)[O-] ZINC000051383546 540432465 /nfs/dbraw/zinc/43/24/65/540432465.db2.gz CUOJNEZUUGECQK-UHFFFAOYSA-N 1 2 368.437 2.206 20 5 FEBDLO Cc1noc([C@H]2CCC[N@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000052861477 540495043 /nfs/dbraw/zinc/49/50/43/540495043.db2.gz ODPGYANSXRMDQJ-ZDUSSCGKSA-N 1 2 359.386 2.413 20 5 FEBDLO Cc1noc([C@H]2CCC[N@@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000052861477 540495047 /nfs/dbraw/zinc/49/50/47/540495047.db2.gz ODPGYANSXRMDQJ-ZDUSSCGKSA-N 1 2 359.386 2.413 20 5 FEBDLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])cc1F ZINC000054124880 540570467 /nfs/dbraw/zinc/57/04/67/540570467.db2.gz IDFZRRYGNURIAX-INIZCTEOSA-N 1 2 373.384 2.365 20 5 FEBDLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])cc1F ZINC000054124880 540570471 /nfs/dbraw/zinc/57/04/71/540570471.db2.gz IDFZRRYGNURIAX-INIZCTEOSA-N 1 2 373.384 2.365 20 5 FEBDLO O=C(C[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000054395330 540588468 /nfs/dbraw/zinc/58/84/68/540588468.db2.gz XJYYFBYPTCUDJQ-QGZVFWFLSA-N 1 2 368.393 2.097 20 5 FEBDLO O=C(C[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000054395330 540588471 /nfs/dbraw/zinc/58/84/71/540588471.db2.gz XJYYFBYPTCUDJQ-QGZVFWFLSA-N 1 2 368.393 2.097 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCc2cn3ccccc3[nH+]2)cc1C ZINC000060498589 541114964 /nfs/dbraw/zinc/11/49/64/541114964.db2.gz JSLDZBKCODWMQL-UHFFFAOYSA-N 1 2 374.422 2.380 20 5 FEBDLO Cc1ccc2[nH+]c(CNC(=O)NCCOc3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000069150270 541662940 /nfs/dbraw/zinc/66/29/40/541662940.db2.gz LUKCBDGIPAROFJ-UHFFFAOYSA-N 1 2 369.381 2.429 20 5 FEBDLO Cc1cccc2[nH+]c(CNC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3C)cn21 ZINC000069565037 541697522 /nfs/dbraw/zinc/69/75/22/541697522.db2.gz MUFAKUCMTVUKSY-UHFFFAOYSA-N 1 2 367.365 2.114 20 5 FEBDLO CC(C)C(=O)N1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000069608988 541700483 /nfs/dbraw/zinc/70/04/83/541700483.db2.gz FQRCBGJHMWVNOM-UHFFFAOYSA-N 1 2 363.414 2.152 20 5 FEBDLO CC(C)C(=O)N1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000069608988 541700486 /nfs/dbraw/zinc/70/04/86/541700486.db2.gz FQRCBGJHMWVNOM-UHFFFAOYSA-N 1 2 363.414 2.152 20 5 FEBDLO C[N@@H+](Cc1nccn1C(F)F)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000071951879 541776624 /nfs/dbraw/zinc/77/66/24/541776624.db2.gz AOJZVTFJQXBSKJ-GFCCVEGCSA-N 1 2 356.329 2.058 20 5 FEBDLO C[N@H+](Cc1nccn1C(F)F)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000071951879 541776627 /nfs/dbraw/zinc/77/66/27/541776627.db2.gz AOJZVTFJQXBSKJ-GFCCVEGCSA-N 1 2 356.329 2.058 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079562692 542526884 /nfs/dbraw/zinc/52/68/84/542526884.db2.gz MTHQNXZPRRVORW-JTQLQIEISA-N 1 2 361.320 2.064 20 5 FEBDLO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCS(=O)(=O)C1 ZINC000083168496 542692860 /nfs/dbraw/zinc/69/28/60/542692860.db2.gz ZSGNZAFHWRGELM-GFCCVEGCSA-N 1 2 353.400 2.135 20 5 FEBDLO CCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCS(=O)(=O)C1 ZINC000083168496 542692862 /nfs/dbraw/zinc/69/28/62/542692862.db2.gz ZSGNZAFHWRGELM-GFCCVEGCSA-N 1 2 353.400 2.135 20 5 FEBDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000092705460 542882931 /nfs/dbraw/zinc/88/29/31/542882931.db2.gz FZDLZJBTTZWLPZ-CYBMUJFWSA-N 1 2 351.403 2.103 20 5 FEBDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000092705460 542882933 /nfs/dbraw/zinc/88/29/33/542882933.db2.gz FZDLZJBTTZWLPZ-CYBMUJFWSA-N 1 2 351.403 2.103 20 5 FEBDLO Cn1cc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092676548 542881088 /nfs/dbraw/zinc/88/10/88/542881088.db2.gz YYUZKLCOFVYKCM-IRXDYDNUSA-N 1 2 369.425 2.238 20 5 FEBDLO Cn1cc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092676548 542881092 /nfs/dbraw/zinc/88/10/92/542881092.db2.gz YYUZKLCOFVYKCM-IRXDYDNUSA-N 1 2 369.425 2.238 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000094123126 542953503 /nfs/dbraw/zinc/95/35/03/542953503.db2.gz DQUBOZMKUYMDBZ-UHFFFAOYSA-N 1 2 371.441 2.212 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000105357452 543172526 /nfs/dbraw/zinc/17/25/26/543172526.db2.gz WOQRGZOYLVWGQP-HNNXBMFYSA-N 1 2 369.425 2.135 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000109758095 543337730 /nfs/dbraw/zinc/33/77/30/543337730.db2.gz UIOLNSOVGQIHKV-JSGCOSHPSA-N 1 2 361.320 2.229 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000109758095 543337733 /nfs/dbraw/zinc/33/77/33/543337733.db2.gz UIOLNSOVGQIHKV-JSGCOSHPSA-N 1 2 361.320 2.229 20 5 FEBDLO COc1cc(C[N@H+](C)CCN2CCCC2=O)c([N+](=O)[O-])cc1OC(F)F ZINC000112703706 543458667 /nfs/dbraw/zinc/45/86/67/543458667.db2.gz HJNFIXFVRQWEPH-UHFFFAOYSA-N 1 2 373.356 2.259 20 5 FEBDLO COc1cc(C[N@@H+](C)CCN2CCCC2=O)c([N+](=O)[O-])cc1OC(F)F ZINC000112703706 543458669 /nfs/dbraw/zinc/45/86/69/543458669.db2.gz HJNFIXFVRQWEPH-UHFFFAOYSA-N 1 2 373.356 2.259 20 5 FEBDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000122936833 543732088 /nfs/dbraw/zinc/73/20/88/543732088.db2.gz BGVNKLAVBCBJKW-AWEZNQCLSA-N 1 2 373.331 2.207 20 5 FEBDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000122936833 543732090 /nfs/dbraw/zinc/73/20/90/543732090.db2.gz BGVNKLAVBCBJKW-AWEZNQCLSA-N 1 2 373.331 2.207 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000123167972 543746292 /nfs/dbraw/zinc/74/62/92/543746292.db2.gz WIERAHYYQPIWPC-LBPRGKRZSA-N 1 2 357.370 2.399 20 5 FEBDLO C[C@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1n1cc[nH+]c1 ZINC000124935065 543851479 /nfs/dbraw/zinc/85/14/79/543851479.db2.gz YEVFPEKCILKMNC-XHDPSFHLSA-N 1 2 354.370 2.391 20 5 FEBDLO Cc1sc(S(=O)(=O)NCc2[nH+]ccn2CC(C)C)cc1[N+](=O)[O-] ZINC000126053471 543915547 /nfs/dbraw/zinc/91/55/47/543915547.db2.gz BBYHPPUTXNFWGU-UHFFFAOYSA-N 1 2 358.445 2.296 20 5 FEBDLO Cc1ccc(CN2CC[NH+](CC(=O)N3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000127904483 544021226 /nfs/dbraw/zinc/02/12/26/544021226.db2.gz ZUDREQLYXGFAKX-UHFFFAOYSA-N 1 2 360.458 2.033 20 5 FEBDLO Cc1cc([C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCO2)ccc1F ZINC000128611224 544062525 /nfs/dbraw/zinc/06/25/25/544062525.db2.gz RZXSSVDTDGVIFJ-KRWDZBQOSA-N 1 2 361.373 2.278 20 5 FEBDLO Cc1cc([C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCO2)ccc1F ZINC000128611224 544062526 /nfs/dbraw/zinc/06/25/26/544062526.db2.gz RZXSSVDTDGVIFJ-KRWDZBQOSA-N 1 2 361.373 2.278 20 5 FEBDLO O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000130624133 544158468 /nfs/dbraw/zinc/15/84/68/544158468.db2.gz QZRXAXQAALPIAM-LLVKDONJSA-N 1 2 357.208 2.027 20 5 FEBDLO O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000130624133 544158469 /nfs/dbraw/zinc/15/84/69/544158469.db2.gz QZRXAXQAALPIAM-LLVKDONJSA-N 1 2 357.208 2.027 20 5 FEBDLO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000134150791 544296010 /nfs/dbraw/zinc/29/60/10/544296010.db2.gz NETRUPVPDJOVSI-UHFFFAOYSA-N 1 2 359.382 2.171 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCS[C@H]4COCC[C@@H]43)n2)c1 ZINC000135527140 544350822 /nfs/dbraw/zinc/35/08/22/544350822.db2.gz ZVMUYADJBYYWML-KBPBESRZSA-N 1 2 362.411 2.351 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCS[C@H]4COCC[C@@H]43)n2)c1 ZINC000135527140 544350823 /nfs/dbraw/zinc/35/08/23/544350823.db2.gz ZVMUYADJBYYWML-KBPBESRZSA-N 1 2 362.411 2.351 20 5 FEBDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)S1 ZINC000137258936 544388012 /nfs/dbraw/zinc/38/80/12/544388012.db2.gz COYFXBYHKMRSFC-SNVBAGLBSA-N 1 2 368.846 2.497 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000151275662 544524036 /nfs/dbraw/zinc/52/40/36/544524036.db2.gz ZNDNOYAGPBTSTH-IUODEOHRSA-N 1 2 364.427 2.372 20 5 FEBDLO CCOc1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])cc1OC ZINC000153491779 544782346 /nfs/dbraw/zinc/78/23/46/544782346.db2.gz IKXUFGAVBZQXGD-LBPRGKRZSA-N 1 2 362.386 2.265 20 5 FEBDLO COc1cccnc1N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179206075 327631102 /nfs/dbraw/zinc/63/11/02/327631102.db2.gz WJHHMGIHZBOCTO-UHFFFAOYSA-N 1 2 353.338 2.461 20 5 FEBDLO Cc1nc(N2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)CC2)cc[nH+]1 ZINC000184941928 327891050 /nfs/dbraw/zinc/89/10/50/327891050.db2.gz YFLUVKFGRMWADE-UHFFFAOYSA-N 1 2 373.438 2.134 20 5 FEBDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000192045656 328296522 /nfs/dbraw/zinc/29/65/22/328296522.db2.gz GFSBTHQMMPVVEV-UHFFFAOYSA-N 1 2 365.411 2.448 20 5 FEBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000192567764 328326094 /nfs/dbraw/zinc/32/60/94/328326094.db2.gz MPXICROJAHTFLI-UHFFFAOYSA-N 1 2 350.448 2.207 20 5 FEBDLO O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000193419008 328374226 /nfs/dbraw/zinc/37/42/26/328374226.db2.gz ZPEYSJWSHCVZQA-UHFFFAOYSA-N 1 2 371.393 2.445 20 5 FEBDLO O=C(C[NH+]1CCC2(CC1)OCCO2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000014193229 324377576 /nfs/dbraw/zinc/37/75/76/324377576.db2.gz KNDHBKHAGYXVKT-UHFFFAOYSA-N 1 2 355.778 2.026 20 5 FEBDLO Cc1noc(C2CC[NH+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000053640467 324744554 /nfs/dbraw/zinc/74/45/54/324744554.db2.gz ROVXCKUBPCLUIU-UHFFFAOYSA-N 1 2 359.386 2.129 20 5 FEBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000055963292 324792606 /nfs/dbraw/zinc/79/26/06/324792606.db2.gz KLIOICOVICOZAA-LBPRGKRZSA-N 1 2 373.818 2.422 20 5 FEBDLO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000080943464 325149102 /nfs/dbraw/zinc/14/91/02/325149102.db2.gz JRMHYMMNDDSXEY-AWEZNQCLSA-N 1 2 358.398 2.013 20 5 FEBDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606201 325298697 /nfs/dbraw/zinc/29/86/97/325298697.db2.gz APGSFTNNAXSZHE-CYBMUJFWSA-N 1 2 374.441 2.500 20 5 FEBDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606201 325298699 /nfs/dbraw/zinc/29/86/99/325298699.db2.gz APGSFTNNAXSZHE-CYBMUJFWSA-N 1 2 374.441 2.500 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000101923116 325483566 /nfs/dbraw/zinc/48/35/66/325483566.db2.gz CNQXPNPAWBINRF-UHFFFAOYSA-N 1 2 350.400 2.126 20 5 FEBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000119290315 326145954 /nfs/dbraw/zinc/14/59/54/326145954.db2.gz AHLSLKCYIGJCIV-NSHDSACASA-N 1 2 361.377 2.145 20 5 FEBDLO COc1cc(OCC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000120154851 326235927 /nfs/dbraw/zinc/23/59/27/326235927.db2.gz ZFNIYURORFDBNG-AWEZNQCLSA-N 1 2 360.370 2.459 20 5 FEBDLO C[C@@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000151254854 326678238 /nfs/dbraw/zinc/67/82/38/326678238.db2.gz WMNXVJJVKDLQES-CJNGLKHVSA-N 1 2 364.427 2.204 20 5 FEBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159555765 326935128 /nfs/dbraw/zinc/93/51/28/326935128.db2.gz QHVKKJVZAWPMMW-UHFFFAOYSA-N 1 2 369.425 2.060 20 5 FEBDLO C[C@H](c1cccnc1)N1C(=O)C[C@@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000171755971 327159259 /nfs/dbraw/zinc/15/92/59/327159259.db2.gz AJZFIPHIHQRJLU-CXAGYDPISA-N 1 2 368.393 2.310 20 5 FEBDLO C[C@H](c1cccnc1)N1C(=O)C[C@@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000171755971 327159261 /nfs/dbraw/zinc/15/92/61/327159261.db2.gz AJZFIPHIHQRJLU-CXAGYDPISA-N 1 2 368.393 2.310 20 5 FEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175246146 327382203 /nfs/dbraw/zinc/38/22/03/327382203.db2.gz VLVCYQCVCOPAGN-GHMZBOCLSA-N 1 2 368.821 2.163 20 5 FEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175246146 327382204 /nfs/dbraw/zinc/38/22/04/327382204.db2.gz VLVCYQCVCOPAGN-GHMZBOCLSA-N 1 2 368.821 2.163 20 5 FEBDLO Cc1[nH]nc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000264261983 329005631 /nfs/dbraw/zinc/00/56/31/329005631.db2.gz PUCFAYAQISOGHF-RYUDHWBXSA-N 1 2 373.413 2.488 20 5 FEBDLO O=[N+]([O-])c1ccccc1NCCNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000264655060 329045060 /nfs/dbraw/zinc/04/50/60/329045060.db2.gz PTBACYAZSHDBDH-CQSZACIVSA-N 1 2 372.429 2.118 20 5 FEBDLO O=[N+]([O-])c1ccccc1NCCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000264655060 329045062 /nfs/dbraw/zinc/04/50/62/329045062.db2.gz PTBACYAZSHDBDH-CQSZACIVSA-N 1 2 372.429 2.118 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000265606951 329142458 /nfs/dbraw/zinc/14/24/58/329142458.db2.gz KOGJYLWPYHNFQJ-FPJCUDJDSA-N 1 2 353.444 2.073 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000265606951 329142459 /nfs/dbraw/zinc/14/24/59/329142459.db2.gz KOGJYLWPYHNFQJ-FPJCUDJDSA-N 1 2 353.444 2.073 20 5 FEBDLO Cc1cc(NC(=O)CN2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000266526847 329232932 /nfs/dbraw/zinc/23/29/32/329232932.db2.gz KLSDPEXXLJHCLP-CQSZACIVSA-N 1 2 373.413 2.209 20 5 FEBDLO O=C(NC[C@@H]1CSCCS1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000267779973 329357179 /nfs/dbraw/zinc/35/71/79/329357179.db2.gz NBRLBYHWGXFKIY-GFCCVEGCSA-N 1 2 364.452 2.359 20 5 FEBDLO C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000268171295 329392903 /nfs/dbraw/zinc/39/29/03/329392903.db2.gz PUJYSWOLHMDFRK-NEPJUHHUSA-N 1 2 370.837 2.157 20 5 FEBDLO CC(C)N1C[C@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000272544226 329789977 /nfs/dbraw/zinc/78/99/77/329789977.db2.gz PSEYXYYCMCJZSP-PBHICJAKSA-N 1 2 357.414 2.017 20 5 FEBDLO C[C@@]1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC000273363035 329858680 /nfs/dbraw/zinc/85/86/80/329858680.db2.gz SVXMINKUGKGHKE-SJLPKXTDSA-N 1 2 356.382 2.468 20 5 FEBDLO C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000273929402 329903259 /nfs/dbraw/zinc/90/32/59/329903259.db2.gz HOUBCTGNDYWQMX-STQMWFEESA-N 1 2 367.421 2.237 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275382986 330042295 /nfs/dbraw/zinc/04/22/95/330042295.db2.gz BFNXCMPJFXVNBQ-ABAIWWIYSA-N 1 2 351.403 2.023 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275382986 330042296 /nfs/dbraw/zinc/04/22/96/330042296.db2.gz BFNXCMPJFXVNBQ-ABAIWWIYSA-N 1 2 351.403 2.023 20 5 FEBDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000275782192 330088386 /nfs/dbraw/zinc/08/83/86/330088386.db2.gz CIIZFUDHXXAAGK-MFTLYIETSA-N 1 2 356.382 2.378 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000369337818 330241546 /nfs/dbraw/zinc/24/15/46/330241546.db2.gz DZOGQECRONDWAE-CYBMUJFWSA-N 1 2 364.427 2.205 20 5 FEBDLO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](C)C1 ZINC000157941050 545803209 /nfs/dbraw/zinc/80/32/09/545803209.db2.gz FNNJBXMUDUUSFB-CJNGLKHVSA-N 1 2 365.430 2.167 20 5 FEBDLO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](C)C1 ZINC000157941050 545803212 /nfs/dbraw/zinc/80/32/12/545803212.db2.gz FNNJBXMUDUUSFB-CJNGLKHVSA-N 1 2 365.430 2.167 20 5 FEBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161225248 546111809 /nfs/dbraw/zinc/11/18/09/546111809.db2.gz WRWJSCYVEBNPII-CQSZACIVSA-N 1 2 356.382 2.154 20 5 FEBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+]([C@H]3C=CCCC3)CC2)c1 ZINC000171278308 546200820 /nfs/dbraw/zinc/20/08/20/546200820.db2.gz GKCQQAUUJPXUQA-AWEZNQCLSA-N 1 2 351.428 2.010 20 5 FEBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C1([NH+]2CCOCC2)CCCC1 ZINC000175923142 546371675 /nfs/dbraw/zinc/37/16/75/546371675.db2.gz GBROKOQMDPZJKO-LBPRGKRZSA-N 1 2 353.444 2.420 20 5 FEBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1([NH+]2CCOCC2)CCCC1 ZINC000175935069 546376207 /nfs/dbraw/zinc/37/62/07/546376207.db2.gz NVNKUDXATNFCPJ-ZDUSSCGKSA-N 1 2 363.414 2.064 20 5 FEBDLO CCN1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1c1[nH]cc[nH+]1 ZINC000480691151 561214555 /nfs/dbraw/zinc/21/45/55/561214555.db2.gz BAGYLXLWNLIKLX-AWEZNQCLSA-N 1 2 369.385 2.251 20 5 FEBDLO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NC(=O)NC1CCCC1 ZINC000179240623 546918715 /nfs/dbraw/zinc/91/87/15/546918715.db2.gz MIKJCGCFGATGDR-UHFFFAOYSA-N 1 2 360.414 2.328 20 5 FEBDLO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NC(=O)NC1CCCC1 ZINC000179240623 546918718 /nfs/dbraw/zinc/91/87/18/546918718.db2.gz MIKJCGCFGATGDR-UHFFFAOYSA-N 1 2 360.414 2.328 20 5 FEBDLO CCC[C@@](C)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(=O)OC ZINC000181709309 547365158 /nfs/dbraw/zinc/36/51/58/547365158.db2.gz YLQZQYVIGPXSQV-MRXNPFEDSA-N 1 2 355.366 2.384 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1[nH+]ccn1CC(C)C ZINC000181714866 547366072 /nfs/dbraw/zinc/36/60/72/547366072.db2.gz QTAAPEPFNYROQO-UHFFFAOYSA-N 1 2 366.443 2.488 20 5 FEBDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182002702 547420434 /nfs/dbraw/zinc/42/04/34/547420434.db2.gz VTHVXBKVZAVCHK-LBPRGKRZSA-N 1 2 366.849 2.033 20 5 FEBDLO CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1[nH]c2ccccc2[nH+]1 ZINC000182257187 547462681 /nfs/dbraw/zinc/46/26/81/547462681.db2.gz AOSRKJPGKYUUEB-UHFFFAOYSA-N 1 2 360.395 2.381 20 5 FEBDLO Cc1cc(S(=O)(=O)NCc2[nH+]ccn2CC(C)C)ccc1[N+](=O)[O-] ZINC000182416720 547489648 /nfs/dbraw/zinc/48/96/48/547489648.db2.gz QQLOFBYSLOULCG-UHFFFAOYSA-N 1 2 352.416 2.234 20 5 FEBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000182877967 547565724 /nfs/dbraw/zinc/56/57/24/547565724.db2.gz HPPMOSJIBAFDQM-DUVHGLKDSA-N 1 2 359.426 2.321 20 5 FEBDLO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000185135988 547938630 /nfs/dbraw/zinc/93/86/30/547938630.db2.gz LBKVEHBQUWUYLU-AAEUAGOBSA-N 1 2 364.402 2.366 20 5 FEBDLO O=C(C[NH+]1CCC(C(F)F)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000486139034 561338954 /nfs/dbraw/zinc/33/89/54/561338954.db2.gz RVZHVDDCFGTAAI-UHFFFAOYSA-N 1 2 357.313 2.239 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2[C@@H](C)CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000245739892 548985552 /nfs/dbraw/zinc/98/55/52/548985552.db2.gz RJFLOXDWFOLYTA-STQMWFEESA-N 1 2 351.403 2.167 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2[C@@H](C)CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000245739892 548985556 /nfs/dbraw/zinc/98/55/56/548985556.db2.gz RJFLOXDWFOLYTA-STQMWFEESA-N 1 2 351.403 2.167 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000247700293 549373589 /nfs/dbraw/zinc/37/35/89/549373589.db2.gz UNHSCQJJVWSEMR-WBMJQRKESA-N 1 2 364.427 2.372 20 5 FEBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2C1 ZINC000249037099 549541424 /nfs/dbraw/zinc/54/14/24/549541424.db2.gz SYQZZBZGTAZQFI-KBMXLJTQSA-N 1 2 351.359 2.271 20 5 FEBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2C1 ZINC000249037099 549541429 /nfs/dbraw/zinc/54/14/29/549541429.db2.gz SYQZZBZGTAZQFI-KBMXLJTQSA-N 1 2 351.359 2.271 20 5 FEBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249043196 549542187 /nfs/dbraw/zinc/54/21/87/549542187.db2.gz VMTCXBWAQAEPFF-SJCJKPOMSA-N 1 2 360.370 2.197 20 5 FEBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249043196 549542191 /nfs/dbraw/zinc/54/21/91/549542191.db2.gz VMTCXBWAQAEPFF-SJCJKPOMSA-N 1 2 360.370 2.197 20 5 FEBDLO O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262308088 549809405 /nfs/dbraw/zinc/80/94/05/549809405.db2.gz CMRPVZCKTGDMOK-LSDHHAIUSA-N 1 2 359.357 2.315 20 5 FEBDLO COc1ccc(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000263939147 549957594 /nfs/dbraw/zinc/95/75/94/549957594.db2.gz GBNMXMRUMZRYBW-CYBMUJFWSA-N 1 2 359.386 2.416 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000268476867 550072834 /nfs/dbraw/zinc/07/28/34/550072834.db2.gz JQZVLWXTINWWTR-SFHVURJKSA-N 1 2 355.394 2.433 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000268476867 550072835 /nfs/dbraw/zinc/07/28/35/550072835.db2.gz JQZVLWXTINWWTR-SFHVURJKSA-N 1 2 355.394 2.433 20 5 FEBDLO O=C(C[N@@H+]1CCc2ccccc2[C@@H]1CO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000268485173 550074015 /nfs/dbraw/zinc/07/40/15/550074015.db2.gz MGYWIQAMQPLZHN-IBGZPJMESA-N 1 2 367.405 2.076 20 5 FEBDLO O=C(C[N@H+]1CCc2ccccc2[C@@H]1CO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000268485173 550074018 /nfs/dbraw/zinc/07/40/18/550074018.db2.gz MGYWIQAMQPLZHN-IBGZPJMESA-N 1 2 367.405 2.076 20 5 FEBDLO CC(C)c1n[nH]c(C(=O)NCC[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000269336324 550183213 /nfs/dbraw/zinc/18/32/13/550183213.db2.gz GQLRCYIRVWRELA-UHFFFAOYSA-N 1 2 363.443 2.291 20 5 FEBDLO CC(C)c1n[nH]c(C(=O)NCC[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000269336324 550183215 /nfs/dbraw/zinc/18/32/15/550183215.db2.gz GQLRCYIRVWRELA-UHFFFAOYSA-N 1 2 363.443 2.291 20 5 FEBDLO CN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000493060326 561454446 /nfs/dbraw/zinc/45/44/46/561454446.db2.gz QDODYAHFBFYRCA-AWEZNQCLSA-N 1 2 352.354 2.157 20 5 FEBDLO O=C(c1ccsc1)N1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269680460 550216486 /nfs/dbraw/zinc/21/64/86/550216486.db2.gz QZETZCUEIOOYPK-MRXNPFEDSA-N 1 2 361.423 2.148 20 5 FEBDLO O=C(C[N@@H+](CCO)Cc1cccc(F)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000494231637 561465189 /nfs/dbraw/zinc/46/51/89/561465189.db2.gz UHTQCQIEUKKEBS-UHFFFAOYSA-N 1 2 373.384 2.118 20 5 FEBDLO O=C(C[N@H+](CCO)Cc1cccc(F)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000494231637 561465190 /nfs/dbraw/zinc/46/51/90/561465190.db2.gz UHTQCQIEUKKEBS-UHFFFAOYSA-N 1 2 373.384 2.118 20 5 FEBDLO COc1cc[nH+]cc1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000272045371 550418673 /nfs/dbraw/zinc/41/86/73/550418673.db2.gz RZQHOUQOLKGRGR-UHFFFAOYSA-N 1 2 358.354 2.087 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000277852511 550721638 /nfs/dbraw/zinc/72/16/38/550721638.db2.gz AJJXESUFRZTJAT-VXGBXAGGSA-N 1 2 355.822 2.396 20 5 FEBDLO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000278592389 550802167 /nfs/dbraw/zinc/80/21/67/550802167.db2.gz KNQJFDPBDBSRTB-UHFFFAOYSA-N 1 2 355.822 2.317 20 5 FEBDLO C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@]2(CCOC2)O1 ZINC000280242472 550973957 /nfs/dbraw/zinc/97/39/57/550973957.db2.gz BAELDEOYBHLXFV-YVEFUNNKSA-N 1 2 360.370 2.025 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@]2(CCOC2)O1 ZINC000280242472 550973958 /nfs/dbraw/zinc/97/39/58/550973958.db2.gz BAELDEOYBHLXFV-YVEFUNNKSA-N 1 2 360.370 2.025 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccn2)CC1 ZINC000280307527 550978915 /nfs/dbraw/zinc/97/89/15/550978915.db2.gz RXLXCSLZFAABBM-HNNXBMFYSA-N 1 2 369.425 2.135 20 5 FEBDLO Cc1cc(OCC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000281673384 551128825 /nfs/dbraw/zinc/12/88/25/551128825.db2.gz OEVXOZQTJDNARP-CQSZACIVSA-N 1 2 356.382 2.072 20 5 FEBDLO CNC(=O)[C@@]1(C)CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000281981301 551165513 /nfs/dbraw/zinc/16/55/13/551165513.db2.gz MOGDHVOKRXPPCQ-SFHVURJKSA-N 1 2 355.398 2.323 20 5 FEBDLO Cc1cc(N2CCN3C(=O)CC[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000497558089 561503682 /nfs/dbraw/zinc/50/36/82/561503682.db2.gz JINFKLDLJUQTIE-HNNXBMFYSA-N 1 2 353.382 2.171 20 5 FEBDLO COC(=O)CC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000497727360 561507174 /nfs/dbraw/zinc/50/71/74/561507174.db2.gz KUXOTCFNUAJCGQ-UHFFFAOYSA-N 1 2 369.805 2.462 20 5 FEBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C[C@@H]21 ZINC000283986585 551462596 /nfs/dbraw/zinc/46/25/96/551462596.db2.gz HPVSXRGGNCTWQB-KBPBESRZSA-N 1 2 361.423 2.355 20 5 FEBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C[C@@H]21 ZINC000283986585 551462598 /nfs/dbraw/zinc/46/25/98/551462598.db2.gz HPVSXRGGNCTWQB-KBPBESRZSA-N 1 2 361.423 2.355 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000285470790 551761246 /nfs/dbraw/zinc/76/12/46/551761246.db2.gz QFEXABQCWHHYRJ-JQFCIGGWSA-N 1 2 362.430 2.079 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000285470790 551761248 /nfs/dbraw/zinc/76/12/48/551761248.db2.gz QFEXABQCWHHYRJ-JQFCIGGWSA-N 1 2 362.430 2.079 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000286621882 551907310 /nfs/dbraw/zinc/90/73/10/551907310.db2.gz CJBXRCKEDMWGRG-GXTWGEPZSA-N 1 2 358.398 2.011 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000287151348 551969606 /nfs/dbraw/zinc/96/96/06/551969606.db2.gz GFZBSJBYPJWNAO-TZMCWYRMSA-N 1 2 358.398 2.011 20 5 FEBDLO C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@@H](C)[NH+]1CCOCC1 ZINC000289882474 552393819 /nfs/dbraw/zinc/39/38/19/552393819.db2.gz ZSNSFRZDOCOSBX-GHMZBOCLSA-N 1 2 356.810 2.479 20 5 FEBDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000500666794 561579134 /nfs/dbraw/zinc/57/91/34/561579134.db2.gz UFSUVHILQJQRMK-UHFFFAOYSA-N 1 2 366.381 2.137 20 5 FEBDLO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000291649460 552647326 /nfs/dbraw/zinc/64/73/26/552647326.db2.gz UNHITOKHBVWVKC-IUODEOHRSA-N 1 2 371.384 2.491 20 5 FEBDLO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000291649460 552647327 /nfs/dbraw/zinc/64/73/27/552647327.db2.gz UNHITOKHBVWVKC-IUODEOHRSA-N 1 2 371.384 2.491 20 5 FEBDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000294733211 552930292 /nfs/dbraw/zinc/93/02/92/552930292.db2.gz GLPONGBPMFQWDR-CYBMUJFWSA-N 1 2 352.347 2.166 20 5 FEBDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000294733211 552930294 /nfs/dbraw/zinc/93/02/94/552930294.db2.gz GLPONGBPMFQWDR-CYBMUJFWSA-N 1 2 352.347 2.166 20 5 FEBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cnn(CC(F)F)c2)CC1 ZINC000294832172 552937430 /nfs/dbraw/zinc/93/74/30/552937430.db2.gz HERDZUATAZDEQY-UHFFFAOYSA-N 1 2 351.357 2.379 20 5 FEBDLO COc1ccccc1[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[NH+](C)C ZINC000503497328 561642835 /nfs/dbraw/zinc/64/28/35/561642835.db2.gz QDOUQGNOBPTYDW-MRXNPFEDSA-N 1 2 359.382 2.342 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299204869 553530647 /nfs/dbraw/zinc/53/06/47/553530647.db2.gz GSBMNJJNDNRCKY-UHFFFAOYSA-N 1 2 371.397 2.279 20 5 FEBDLO COC(=O)c1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc([N+](=O)[O-])c1 ZINC000299626478 553591085 /nfs/dbraw/zinc/59/10/85/553591085.db2.gz FRVMCOROCNCCBB-UHFFFAOYSA-N 1 2 358.354 2.124 20 5 FEBDLO Nc1nc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)ncc1[N+](=O)[O-] ZINC000301073325 553619734 /nfs/dbraw/zinc/61/97/34/553619734.db2.gz DRIDYFMUTHWXAH-UHFFFAOYSA-N 1 2 366.784 2.082 20 5 FEBDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000301087644 553620790 /nfs/dbraw/zinc/62/07/90/553620790.db2.gz NGDBSFWDTHOPBI-JKSUJKDBSA-N 1 2 360.458 2.412 20 5 FEBDLO Cc1cc(N2CC[NH+](CC(=O)NC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301169669 553627973 /nfs/dbraw/zinc/62/79/73/553627973.db2.gz DUWPUWDGIINXQG-UHFFFAOYSA-N 1 2 360.458 2.474 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000301184409 553629252 /nfs/dbraw/zinc/62/92/52/553629252.db2.gz OPLWGTSCNOBZIO-SFHVURJKSA-N 1 2 354.410 2.252 20 5 FEBDLO COc1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c([N+](=O)[O-])cc1F ZINC000301620891 553666718 /nfs/dbraw/zinc/66/67/18/553666718.db2.gz MUUWEZVIXRAGMR-INIZCTEOSA-N 1 2 371.434 2.362 20 5 FEBDLO O=[N+]([O-])c1cnc2ccc(N[C@H](C[NH+]3CCOCC3)c3ccccc3)nn21 ZINC000301819481 553682386 /nfs/dbraw/zinc/68/23/86/553682386.db2.gz APOLPMYJMDSYFZ-OAHLLOKOSA-N 1 2 368.397 2.123 20 5 FEBDLO O=[N+]([O-])c1cnc2ccc(NC[C@H](c3cccs3)[NH+]3CCOCC3)nn21 ZINC000301839457 553684378 /nfs/dbraw/zinc/68/43/78/553684378.db2.gz OFBLNBBLIPDLDM-GFCCVEGCSA-N 1 2 374.426 2.184 20 5 FEBDLO O=c1c(Cl)c(NCCn2cc[nH+]c2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000302139605 553706343 /nfs/dbraw/zinc/70/63/43/553706343.db2.gz OHASEPYTDMWRSD-UHFFFAOYSA-N 1 2 360.761 2.103 20 5 FEBDLO CN(CC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1)c1ccccc1[N+](=O)[O-] ZINC000505530437 561673506 /nfs/dbraw/zinc/67/35/06/561673506.db2.gz QUYYVIUCOUPRRN-MRXNPFEDSA-N 1 2 372.400 2.343 20 5 FEBDLO COC(=O)c1cnc(N2CC[NH+](Cc3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000302788282 553733030 /nfs/dbraw/zinc/73/30/30/553733030.db2.gz XKFDJAUJLNJSOZ-UHFFFAOYSA-N 1 2 374.372 2.238 20 5 FEBDLO COc1ccccc1[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000505459809 561671425 /nfs/dbraw/zinc/67/14/25/561671425.db2.gz ISPBUQJVPHVDJV-INIZCTEOSA-N 1 2 357.366 2.096 20 5 FEBDLO C[C@@H](C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000330811771 554174894 /nfs/dbraw/zinc/17/48/94/554174894.db2.gz BGEWUPFDUAASHS-LLVKDONJSA-N 1 2 366.393 2.295 20 5 FEBDLO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000331436497 554264272 /nfs/dbraw/zinc/26/42/72/554264272.db2.gz CWZZTQNUZDAEMK-SKDRFNHKSA-N 1 2 359.835 2.009 20 5 FEBDLO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000331436497 554264273 /nfs/dbraw/zinc/26/42/73/554264273.db2.gz CWZZTQNUZDAEMK-SKDRFNHKSA-N 1 2 359.835 2.009 20 5 FEBDLO COC(=O)c1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000509259625 561792687 /nfs/dbraw/zinc/79/26/87/561792687.db2.gz HOPSXHXJGWKQSF-UHFFFAOYSA-N 1 2 356.382 2.099 20 5 FEBDLO Cc1ccn2cc(CNS(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])[nH+]c2c1 ZINC000509764462 561813272 /nfs/dbraw/zinc/81/32/72/561813272.db2.gz VKHBVIVFFVQWNR-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)c1[N+](=O)[O-] ZINC000510448572 561834964 /nfs/dbraw/zinc/83/49/64/561834964.db2.gz VNXXYJYVBAJFAQ-CYBMUJFWSA-N 1 2 364.427 2.375 20 5 FEBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000512712651 561913298 /nfs/dbraw/zinc/91/32/98/561913298.db2.gz SYWNXLVCOQZAMN-LBPRGKRZSA-N 1 2 351.366 2.480 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C2 ZINC000364860587 555417792 /nfs/dbraw/zinc/41/77/92/555417792.db2.gz QHXCVSMORAXWHY-GFCCVEGCSA-N 1 2 350.325 2.323 20 5 FEBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000365007834 555463155 /nfs/dbraw/zinc/46/31/55/555463155.db2.gz KCWDONSNPCENJR-MRVPVSSYSA-N 1 2 352.297 2.207 20 5 FEBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000365007834 555463157 /nfs/dbraw/zinc/46/31/57/555463157.db2.gz KCWDONSNPCENJR-MRVPVSSYSA-N 1 2 352.297 2.207 20 5 FEBDLO Cc1n[nH]c(C2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000365109918 555487577 /nfs/dbraw/zinc/48/75/77/555487577.db2.gz MVBUSZSVSXXNMO-LLVKDONJSA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1nc(C2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000365109918 555487580 /nfs/dbraw/zinc/48/75/80/555487580.db2.gz MVBUSZSVSXXNMO-LLVKDONJSA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1nnc(C2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000365109918 555487581 /nfs/dbraw/zinc/48/75/81/555487581.db2.gz MVBUSZSVSXXNMO-LLVKDONJSA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000365163717 555499545 /nfs/dbraw/zinc/49/95/45/555499545.db2.gz REBYXDYVGNLPQX-SFHVURJKSA-N 1 2 365.393 2.224 20 5 FEBDLO O=c1[nH]ccc2c1C[N@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CC2 ZINC000365203695 555509738 /nfs/dbraw/zinc/50/97/38/555509738.db2.gz PEORMTANGQFKMW-UHFFFAOYSA-N 1 2 353.338 2.304 20 5 FEBDLO O=c1[nH]ccc2c1C[N@@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CC2 ZINC000365203695 555509741 /nfs/dbraw/zinc/50/97/41/555509741.db2.gz PEORMTANGQFKMW-UHFFFAOYSA-N 1 2 353.338 2.304 20 5 FEBDLO Cc1[nH+]c2ccc(C(=O)N3CCC[C@@H](n4cc([N+](=O)[O-])cn4)C3)cc2n1C ZINC000365413338 555568699 /nfs/dbraw/zinc/56/86/99/555568699.db2.gz XQLXXJZMACKWIF-CQSZACIVSA-N 1 2 368.397 2.464 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000365829797 555677097 /nfs/dbraw/zinc/67/70/97/555677097.db2.gz CIVLPAOPBLZQTM-CHWSQXEVSA-N 1 2 359.386 2.074 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000365829797 555677102 /nfs/dbraw/zinc/67/71/02/555677102.db2.gz CIVLPAOPBLZQTM-CHWSQXEVSA-N 1 2 359.386 2.074 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000365850123 555682806 /nfs/dbraw/zinc/68/28/06/555682806.db2.gz RSUTVDYXNSGVLT-QFYYESIMSA-N 1 2 353.806 2.422 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000365850123 555682810 /nfs/dbraw/zinc/68/28/10/555682810.db2.gz RSUTVDYXNSGVLT-QFYYESIMSA-N 1 2 353.806 2.422 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000365850121 555682879 /nfs/dbraw/zinc/68/28/79/555682879.db2.gz RSUTVDYXNSGVLT-HWPZZCPQSA-N 1 2 353.806 2.422 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000365850121 555682882 /nfs/dbraw/zinc/68/28/82/555682882.db2.gz RSUTVDYXNSGVLT-HWPZZCPQSA-N 1 2 353.806 2.422 20 5 FEBDLO Cn1cc[nH+]c1[C@H](NCc1cccc(C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000513684050 561946491 /nfs/dbraw/zinc/94/64/91/561946491.db2.gz OIOJFYRJXUPFFX-QGZVFWFLSA-N 1 2 365.393 2.306 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)c1 ZINC000367631868 556101255 /nfs/dbraw/zinc/10/12/55/556101255.db2.gz CAOBKRZYEDNZDU-MRXNPFEDSA-N 1 2 370.409 2.240 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000368456609 556315523 /nfs/dbraw/zinc/31/55/23/556315523.db2.gz BKOLZHFNPAJLGK-CHWSQXEVSA-N 1 2 370.413 2.174 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000368456609 556315524 /nfs/dbraw/zinc/31/55/24/556315524.db2.gz BKOLZHFNPAJLGK-CHWSQXEVSA-N 1 2 370.413 2.174 20 5 FEBDLO O=C(c1cccc([N+](=O)[O-])c1F)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000368534560 556338074 /nfs/dbraw/zinc/33/80/74/556338074.db2.gz NTHXPISOEDUKJT-ZDUSSCGKSA-N 1 2 351.378 2.061 20 5 FEBDLO Cc1noc(C)c1CO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000368864516 556432374 /nfs/dbraw/zinc/43/23/74/556432374.db2.gz AYLZTGAAXZYWCH-CQSZACIVSA-N 1 2 374.397 2.429 20 5 FEBDLO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000368864516 556432377 /nfs/dbraw/zinc/43/23/77/556432377.db2.gz AYLZTGAAXZYWCH-CQSZACIVSA-N 1 2 374.397 2.429 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2Cn2cccn2)c([N+](=O)[O-])c1 ZINC000369271064 556558048 /nfs/dbraw/zinc/55/80/48/556558048.db2.gz OCUDLTSOEZTFNV-CQSZACIVSA-N 1 2 373.413 2.293 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2Cn2cccn2)c([N+](=O)[O-])c1 ZINC000369271064 556558049 /nfs/dbraw/zinc/55/80/49/556558049.db2.gz OCUDLTSOEZTFNV-CQSZACIVSA-N 1 2 373.413 2.293 20 5 FEBDLO CN(C)C(=O)c1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000516157321 562033148 /nfs/dbraw/zinc/03/31/48/562033148.db2.gz UDWJFVJUSFSKQR-UHFFFAOYSA-N 1 2 369.425 2.014 20 5 FEBDLO Cc1cc(N2CCC3(CC2)NC(=O)C2(CCCCC2)[NH2+]3)ncc1[N+](=O)[O-] ZINC000369913959 556728793 /nfs/dbraw/zinc/72/87/93/556728793.db2.gz WLKZNWOCOUXWGX-UHFFFAOYSA-N 1 2 359.430 2.017 20 5 FEBDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000370376016 556854121 /nfs/dbraw/zinc/85/41/21/556854121.db2.gz YWEVOVQEDCDYJJ-MRXNPFEDSA-N 1 2 361.423 2.201 20 5 FEBDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000370376016 556854123 /nfs/dbraw/zinc/85/41/23/556854123.db2.gz YWEVOVQEDCDYJJ-MRXNPFEDSA-N 1 2 361.423 2.201 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000371681828 557261458 /nfs/dbraw/zinc/26/14/58/557261458.db2.gz TXMXMZCMOJBCES-VQIMIIECSA-N 1 2 374.393 2.114 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000371681828 557261462 /nfs/dbraw/zinc/26/14/62/557261462.db2.gz TXMXMZCMOJBCES-VQIMIIECSA-N 1 2 374.393 2.114 20 5 FEBDLO O=[N+]([O-])c1cnn([C@H]2CCCN(Cc3[nH+]ccn3CC(F)(F)F)C2)c1 ZINC000372359386 557449451 /nfs/dbraw/zinc/44/94/51/557449451.db2.gz UYZVOUDACBCYMJ-NSHDSACASA-N 1 2 358.324 2.387 20 5 FEBDLO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H]1c1cccnc1 ZINC000372425077 557467306 /nfs/dbraw/zinc/46/73/06/557467306.db2.gz GUUIAKKGJYDVBW-YOEHRIQHSA-N 1 2 356.382 2.118 20 5 FEBDLO C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H]1c1cccnc1 ZINC000372425077 557467307 /nfs/dbraw/zinc/46/73/07/557467307.db2.gz GUUIAKKGJYDVBW-YOEHRIQHSA-N 1 2 356.382 2.118 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373049008 557616754 /nfs/dbraw/zinc/61/67/54/557616754.db2.gz XVPDIBGEHTZPRJ-CYBMUJFWSA-N 1 2 373.413 2.426 20 5 FEBDLO O=C1CCCN1C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000373209958 557650421 /nfs/dbraw/zinc/65/04/21/557650421.db2.gz NHAOIBNKHGIPQH-HNNXBMFYSA-N 1 2 362.386 2.480 20 5 FEBDLO O=C1CCCN1C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000373209958 557650423 /nfs/dbraw/zinc/65/04/23/557650423.db2.gz NHAOIBNKHGIPQH-HNNXBMFYSA-N 1 2 362.386 2.480 20 5 FEBDLO C[C@H](C(=O)N1CC[NH2+][C@H](c2cccnc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000374347057 557869165 /nfs/dbraw/zinc/86/91/65/557869165.db2.gz BXIGJNZZUGGXRW-SJCJKPOMSA-N 1 2 358.373 2.406 20 5 FEBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374364471 557872286 /nfs/dbraw/zinc/87/22/86/557872286.db2.gz LVZZVVMQJHUORO-GOSISDBHSA-N 1 2 365.393 2.187 20 5 FEBDLO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000374873831 557944376 /nfs/dbraw/zinc/94/43/76/557944376.db2.gz IWDWSGLPERXCDM-OAHLLOKOSA-N 1 2 363.805 2.008 20 5 FEBDLO O=C(C[N@H+]1CC[C@@H](O)c2ccccc2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000374949907 557955445 /nfs/dbraw/zinc/95/54/45/557955445.db2.gz SNHYIXOPKMWPRA-LJQANCHMSA-N 1 2 367.405 2.423 20 5 FEBDLO O=C(C[N@@H+]1CC[C@@H](O)c2ccccc2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000374949907 557955446 /nfs/dbraw/zinc/95/54/46/557955446.db2.gz SNHYIXOPKMWPRA-LJQANCHMSA-N 1 2 367.405 2.423 20 5 FEBDLO CCC(=O)c1ccc(N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)c([N+](=O)[O-])c1 ZINC000375365431 558015923 /nfs/dbraw/zinc/01/59/23/558015923.db2.gz GMBZABPQOUGEKR-FZKQIMNGSA-N 1 2 371.397 2.353 20 5 FEBDLO O=C1NC[C@]2(CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)O1 ZINC000375555397 558047618 /nfs/dbraw/zinc/04/76/18/558047618.db2.gz AHJXYUZOFIXXEX-HNNXBMFYSA-N 1 2 357.313 2.271 20 5 FEBDLO O=C1NC[C@]2(CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)O1 ZINC000375555397 558047620 /nfs/dbraw/zinc/04/76/20/558047620.db2.gz AHJXYUZOFIXXEX-HNNXBMFYSA-N 1 2 357.313 2.271 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@H]1COC(=O)N1CCCCC1 ZINC000375738119 558074849 /nfs/dbraw/zinc/07/48/49/558074849.db2.gz KGTACIMECTVQEA-AWEZNQCLSA-N 1 2 365.434 2.305 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@H]1COC(=O)N1CCCCC1 ZINC000375738119 558074850 /nfs/dbraw/zinc/07/48/50/558074850.db2.gz KGTACIMECTVQEA-AWEZNQCLSA-N 1 2 365.434 2.305 20 5 FEBDLO CCc1noc([C@H]2C[C@H](O)C[N@@H+]2CCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000375926055 558100573 /nfs/dbraw/zinc/10/05/73/558100573.db2.gz CWIIMEXNSQUVSN-DZGCQCFKSA-N 1 2 362.386 2.117 20 5 FEBDLO CCc1noc([C@H]2C[C@H](O)C[N@H+]2CCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000375926055 558100574 /nfs/dbraw/zinc/10/05/74/558100574.db2.gz CWIIMEXNSQUVSN-DZGCQCFKSA-N 1 2 362.386 2.117 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000376137177 558131740 /nfs/dbraw/zinc/13/17/40/558131740.db2.gz YIDXNMWSRLIMND-QWQRMKEZSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000376137177 558131742 /nfs/dbraw/zinc/13/17/42/558131742.db2.gz YIDXNMWSRLIMND-QWQRMKEZSA-N 1 2 363.414 2.192 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](n3cncn3)C2)ccc1Br ZINC000377282058 558305820 /nfs/dbraw/zinc/30/58/20/558305820.db2.gz ARTMBIXYONSHOV-NSHDSACASA-N 1 2 352.192 2.396 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](n3cncn3)C2)ccc1Br ZINC000377282058 558305822 /nfs/dbraw/zinc/30/58/22/558305822.db2.gz ARTMBIXYONSHOV-NSHDSACASA-N 1 2 352.192 2.396 20 5 FEBDLO CNC(=O)c1ccc(N(C)C2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000377481165 558348375 /nfs/dbraw/zinc/34/83/75/558348375.db2.gz HBMIBQWIAAWJLD-UHFFFAOYSA-N 1 2 369.425 2.455 20 5 FEBDLO Cc1cc(C(=O)NC2CCN(c3cc(C)[nH+]cn3)CC2)cc([N+](=O)[O-])c1 ZINC000378050661 558469882 /nfs/dbraw/zinc/46/98/82/558469882.db2.gz OBDSEHACXIFPLW-UHFFFAOYSA-N 1 2 355.398 2.400 20 5 FEBDLO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000408184630 558654922 /nfs/dbraw/zinc/65/49/22/558654922.db2.gz ZVCZYDXFYZOYLE-VXGBXAGGSA-N 1 2 373.862 2.496 20 5 FEBDLO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000408184630 558654925 /nfs/dbraw/zinc/65/49/25/558654925.db2.gz ZVCZYDXFYZOYLE-VXGBXAGGSA-N 1 2 373.862 2.496 20 5 FEBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])cn3C)CC2)c1 ZINC000524700331 562232543 /nfs/dbraw/zinc/23/25/43/562232543.db2.gz WTJBIBOVCCLIKW-AWEZNQCLSA-N 1 2 372.425 2.461 20 5 FEBDLO CCCNC(=O)C[N@H+](CCC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000411183961 558850035 /nfs/dbraw/zinc/85/00/35/558850035.db2.gz SSAXQNXZNIQBFF-AWEZNQCLSA-N 1 2 364.446 2.468 20 5 FEBDLO CCCNC(=O)C[N@@H+](CCC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000411183961 558850037 /nfs/dbraw/zinc/85/00/37/558850037.db2.gz SSAXQNXZNIQBFF-AWEZNQCLSA-N 1 2 364.446 2.468 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H](N2CCCC2=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000412053173 559006892 /nfs/dbraw/zinc/00/68/92/559006892.db2.gz FAPNVZVQNNPAJU-AWEZNQCLSA-N 1 2 360.414 2.010 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H](N2CCCC2=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000412053173 559006894 /nfs/dbraw/zinc/00/68/94/559006894.db2.gz FAPNVZVQNNPAJU-AWEZNQCLSA-N 1 2 360.414 2.010 20 5 FEBDLO COC(=O)[C@@]1(C)CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000412067287 559009008 /nfs/dbraw/zinc/00/90/08/559009008.db2.gz MDKCNQSJAABCJZ-INIZCTEOSA-N 1 2 369.805 2.462 20 5 FEBDLO COC(=O)[C@@]1(C)CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000412067287 559009009 /nfs/dbraw/zinc/00/90/09/559009009.db2.gz MDKCNQSJAABCJZ-INIZCTEOSA-N 1 2 369.805 2.462 20 5 FEBDLO COC(=O)[C@@]1(C)CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000412077121 559010446 /nfs/dbraw/zinc/01/04/46/559010446.db2.gz TTYKOUDBSUYZTD-INIZCTEOSA-N 1 2 369.805 2.462 20 5 FEBDLO COC(=O)[C@@]1(C)CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000412077121 559010447 /nfs/dbraw/zinc/01/04/47/559010447.db2.gz TTYKOUDBSUYZTD-INIZCTEOSA-N 1 2 369.805 2.462 20 5 FEBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000413784007 559130065 /nfs/dbraw/zinc/13/00/65/559130065.db2.gz NZTGZCADROSVGK-KSZLIROESA-N 1 2 352.394 2.266 20 5 FEBDLO CC[C@H]1C[N@H+](CCNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000428074669 559769457 /nfs/dbraw/zinc/76/94/57/559769457.db2.gz FPADWROBLYYVJP-ZDUSSCGKSA-N 1 2 355.822 2.397 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000428074669 559769458 /nfs/dbraw/zinc/76/94/58/559769458.db2.gz FPADWROBLYYVJP-ZDUSSCGKSA-N 1 2 355.822 2.397 20 5 FEBDLO COc1cc(C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000428864845 559785149 /nfs/dbraw/zinc/78/51/49/559785149.db2.gz AQURCLVKTJZPMF-CQSZACIVSA-N 1 2 356.444 2.393 20 5 FEBDLO COc1cc(C[N@H+]2CCCC[C@@H]2CCS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000428864845 559785150 /nfs/dbraw/zinc/78/51/50/559785150.db2.gz AQURCLVKTJZPMF-CQSZACIVSA-N 1 2 356.444 2.393 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000430212225 559815327 /nfs/dbraw/zinc/81/53/27/559815327.db2.gz LNPYJXVPFXUPOI-INIZCTEOSA-N 1 2 364.423 2.479 20 5 FEBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000430256983 559816292 /nfs/dbraw/zinc/81/62/92/559816292.db2.gz ZGDSPYPIGCSJFO-CQSZACIVSA-N 1 2 355.398 2.480 20 5 FEBDLO C[NH+](C)CCOc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436964936 559957613 /nfs/dbraw/zinc/95/76/13/559957613.db2.gz JEMAITWKKAKSEI-UHFFFAOYSA-N 1 2 373.409 2.213 20 5 FEBDLO CC[C@H](C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OC ZINC000448654907 560193012 /nfs/dbraw/zinc/19/30/12/560193012.db2.gz GECUUCKFMZRVHI-XHDPSFHLSA-N 1 2 360.370 2.098 20 5 FEBDLO CC[C@@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OC ZINC000448654904 560193035 /nfs/dbraw/zinc/19/30/35/560193035.db2.gz GECUUCKFMZRVHI-ABAIWWIYSA-N 1 2 360.370 2.098 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCS[C@@H]2COCC[C@H]21 ZINC000450160624 560252585 /nfs/dbraw/zinc/25/25/85/560252585.db2.gz VYYBPGOJWVAJCJ-GDBMZVCRSA-N 1 2 374.422 2.127 20 5 FEBDLO CCOC(=O)C[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450286177 560257133 /nfs/dbraw/zinc/25/71/33/560257133.db2.gz LMVZDAOZGPOQJA-LBPRGKRZSA-N 1 2 360.370 2.100 20 5 FEBDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC12COC2 ZINC000451140848 560289496 /nfs/dbraw/zinc/28/94/96/560289496.db2.gz UVJJIOYFLLIIRF-ZDUSSCGKSA-N 1 2 354.790 2.260 20 5 FEBDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC12COC2 ZINC000451140848 560289497 /nfs/dbraw/zinc/28/94/97/560289497.db2.gz UVJJIOYFLLIIRF-ZDUSSCGKSA-N 1 2 354.790 2.260 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451887687 560334622 /nfs/dbraw/zinc/33/46/22/560334622.db2.gz KBSOQOIPRAIJMU-BREBYQMCSA-N 1 2 361.320 2.167 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451887687 560334623 /nfs/dbraw/zinc/33/46/23/560334623.db2.gz KBSOQOIPRAIJMU-BREBYQMCSA-N 1 2 361.320 2.167 20 5 FEBDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000451931603 560338565 /nfs/dbraw/zinc/33/85/65/560338565.db2.gz RUTJIUAEHRMRMM-LBPRGKRZSA-N 1 2 352.416 2.034 20 5 FEBDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000451931602 560338573 /nfs/dbraw/zinc/33/85/73/560338573.db2.gz RUTJIUAEHRMRMM-GFCCVEGCSA-N 1 2 352.416 2.034 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1C ZINC000451945211 560339798 /nfs/dbraw/zinc/33/97/98/560339798.db2.gz HXNCWXUHDLCGIK-VXGBXAGGSA-N 1 2 350.400 2.392 20 5 FEBDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000451976161 560341725 /nfs/dbraw/zinc/34/17/25/560341725.db2.gz XPPCCZNDPYXDKN-CQSZACIVSA-N 1 2 355.460 2.316 20 5 FEBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1cc([N+](=O)[O-])ccc1SCCO ZINC000452760862 560373282 /nfs/dbraw/zinc/37/32/82/560373282.db2.gz VVYMRSYLSDVTOE-UHFFFAOYSA-N 1 2 362.411 2.464 20 5 FEBDLO O=C(N[C@H]([C@@H](CO)C1CC1)C1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452974664 560379641 /nfs/dbraw/zinc/37/96/41/560379641.db2.gz ZXSMPMFKOHTBJU-YJBOKZPZSA-N 1 2 370.409 2.307 20 5 FEBDLO CCN(C)c1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cn1 ZINC000453573084 560389117 /nfs/dbraw/zinc/38/91/17/560389117.db2.gz GILUIEGXTZYPKT-UHFFFAOYSA-N 1 2 356.430 2.163 20 5 FEBDLO CNc1nc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000454458221 560445219 /nfs/dbraw/zinc/44/52/19/560445219.db2.gz OWVANQCYBBVLHV-INIZCTEOSA-N 1 2 355.398 2.160 20 5 FEBDLO CNc1nc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000454458221 560445220 /nfs/dbraw/zinc/44/52/20/560445220.db2.gz OWVANQCYBBVLHV-INIZCTEOSA-N 1 2 355.398 2.160 20 5 FEBDLO C[C@@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000454535111 560448734 /nfs/dbraw/zinc/44/87/34/560448734.db2.gz FKCHGUQYWRXQEX-HZSPNIEDSA-N 1 2 350.419 2.064 20 5 FEBDLO Cc1[nH+]c2cc(NC(=O)CCn3cc([N+](=O)[O-])cn3)ccc2n1[C@H](C)CO ZINC000456730555 560531105 /nfs/dbraw/zinc/53/11/05/560531105.db2.gz UXNRICKFQGAGLR-LLVKDONJSA-N 1 2 372.385 2.032 20 5 FEBDLO COCCCOC1C[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000459592571 560696681 /nfs/dbraw/zinc/69/66/81/560696681.db2.gz NAOFXRIWZVBDMK-UHFFFAOYSA-N 1 2 360.414 2.233 20 5 FEBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCn2c[nH+]cc2C1 ZINC000461190914 560763219 /nfs/dbraw/zinc/76/32/19/560763219.db2.gz HOCWTTBZNGUQOX-SNVBAGLBSA-N 1 2 350.762 2.254 20 5 FEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000464536714 560844590 /nfs/dbraw/zinc/84/45/90/560844590.db2.gz UWWKZCUTQOYQIG-ZDUSSCGKSA-N 1 2 367.471 2.500 20 5 FEBDLO O=C(NCCc1ccccc1[N+](=O)[O-])NCc1[nH+]ccn1CC(F)(F)F ZINC000465943955 560876583 /nfs/dbraw/zinc/87/65/83/560876583.db2.gz QVOITMRNZKYLNX-UHFFFAOYSA-N 1 2 371.319 2.396 20 5 FEBDLO CO[C@@H](CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000470374431 560979894 /nfs/dbraw/zinc/97/98/94/560979894.db2.gz QJZXMBMUPBCXSS-ZDUSSCGKSA-N 1 2 372.303 2.478 20 5 FEBDLO COc1cc(C(=O)NC2C[NH+](C(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000473229872 561045071 /nfs/dbraw/zinc/04/50/71/561045071.db2.gz GZUPAYMMBBGCJV-UHFFFAOYSA-N 1 2 359.329 2.027 20 5 FEBDLO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2nnc(C)s2)cc1[N+](=O)[O-] ZINC000473990483 561062999 /nfs/dbraw/zinc/06/29/99/561062999.db2.gz VWIIKMPNOOOCDM-VIFPVBQESA-N 1 2 366.399 2.157 20 5 FEBDLO COc1ccc(CC(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)cc1[N+](=O)[O-] ZINC000532780785 562488556 /nfs/dbraw/zinc/48/85/56/562488556.db2.gz GTPPKCNMWUYHMP-CQSZACIVSA-N 1 2 358.398 2.345 20 5 FEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000534272247 562529194 /nfs/dbraw/zinc/52/91/94/562529194.db2.gz YOPHFFKIQXJNQB-GFCCVEGCSA-N 1 2 353.444 2.157 20 5 FEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000534272247 562529195 /nfs/dbraw/zinc/52/91/95/562529195.db2.gz YOPHFFKIQXJNQB-GFCCVEGCSA-N 1 2 353.444 2.157 20 5 FEBDLO COc1ccc(CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000534446440 562534300 /nfs/dbraw/zinc/53/43/00/562534300.db2.gz KBQAFVBFLAEMLY-CYBMUJFWSA-N 1 2 359.386 2.036 20 5 FEBDLO Cc1nc(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C)o1 ZINC000535507018 562560050 /nfs/dbraw/zinc/56/00/50/562560050.db2.gz GGCTUCUJFUBZJX-UHFFFAOYSA-N 1 2 355.354 2.358 20 5 FEBDLO CC(C)Oc1nc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000568415517 568032062 /nfs/dbraw/zinc/03/20/62/568032062.db2.gz WDUHSBFMFFQGBG-ZIAGYGMSSA-N 1 2 350.419 2.076 20 5 FEBDLO O=[N+]([O-])c1cc(NC2CCN(c3cccc[nH+]3)CC2)ccc1-c1nn[nH]n1 ZINC000823634738 606645303 /nfs/dbraw/zinc/64/53/03/606645303.db2.gz LAKCDZAQXLZALV-UHFFFAOYSA-N 1 2 366.385 2.251 20 5 FEBDLO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826170149 608374666 /nfs/dbraw/zinc/37/46/66/608374666.db2.gz PUGKMGJDXCXNFJ-UHFFFAOYSA-N 1 2 366.381 2.342 20 5 FEBDLO COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826170149 608374668 /nfs/dbraw/zinc/37/46/68/608374668.db2.gz PUGKMGJDXCXNFJ-UHFFFAOYSA-N 1 2 366.381 2.342 20 5 FEBDLO O=[N+]([O-])c1ccsc1N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826500600 608583224 /nfs/dbraw/zinc/58/32/24/608583224.db2.gz DRPVPSPBJJDZTE-UHFFFAOYSA-N 1 2 371.426 2.159 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000564441555 675019367 /nfs/dbraw/zinc/01/93/67/675019367.db2.gz DDLUINCUSMEERB-OAHLLOKOSA-N 1 2 350.419 2.390 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000564441555 675019372 /nfs/dbraw/zinc/01/93/72/675019372.db2.gz DDLUINCUSMEERB-OAHLLOKOSA-N 1 2 350.419 2.390 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000580488511 671811655 /nfs/dbraw/zinc/81/16/55/671811655.db2.gz TZRHLIOVXCOMNS-OLZOCXBDSA-N 1 2 350.419 2.388 20 5 FEBDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000122510387 671967677 /nfs/dbraw/zinc/96/76/77/671967677.db2.gz DQJOFEGQGVJNCH-QWHCGFSZSA-N 1 2 353.423 2.374 20 5 FEBDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000122510387 671967682 /nfs/dbraw/zinc/96/76/82/671967682.db2.gz DQJOFEGQGVJNCH-QWHCGFSZSA-N 1 2 353.423 2.374 20 5 FEBDLO Cn1ccc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000589316028 672521502 /nfs/dbraw/zinc/52/15/02/672521502.db2.gz DKLQKKZLKWCDNS-UHFFFAOYSA-N 1 2 372.166 2.223 20 5 FEBDLO C[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000612556044 676087475 /nfs/dbraw/zinc/08/74/75/676087475.db2.gz JACWECRWHUNDSF-BXKDBHETSA-N 1 2 361.320 2.063 20 5 FEBDLO C[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@H]1C[N@@H+](C)CCO1 ZINC000612556044 676087476 /nfs/dbraw/zinc/08/74/76/676087476.db2.gz JACWECRWHUNDSF-BXKDBHETSA-N 1 2 361.320 2.063 20 5 FEBDLO Nc1c(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597097605 673447452 /nfs/dbraw/zinc/44/74/52/673447452.db2.gz OXNKXVOADLVQJG-SECBINFHSA-N 1 2 350.766 2.163 20 5 FEBDLO CC(C)(C)[N@@H+]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000538743230 673455081 /nfs/dbraw/zinc/45/50/81/673455081.db2.gz MQAJIPOFRSELHB-UHFFFAOYSA-N 1 2 361.489 2.370 20 5 FEBDLO CC(C)(C)[N@H+]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000538743230 673455083 /nfs/dbraw/zinc/45/50/83/673455083.db2.gz MQAJIPOFRSELHB-UHFFFAOYSA-N 1 2 361.489 2.370 20 5 FEBDLO CC[C@@H](C)[C@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)OC ZINC000602447048 673906091 /nfs/dbraw/zinc/90/60/91/673906091.db2.gz KWRQAOYVVIGOIU-OLZOCXBDSA-N 1 2 355.460 2.475 20 5 FEBDLO C[C@@H](NCc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1C[N@H+](C)CCO1 ZINC000602576409 673908420 /nfs/dbraw/zinc/90/84/20/673908420.db2.gz NAQXLJTYPGVNGS-KCJUWKMLSA-N 1 2 364.265 2.228 20 5 FEBDLO C[C@@H](NCc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1C[N@@H+](C)CCO1 ZINC000602576409 673908421 /nfs/dbraw/zinc/90/84/21/673908421.db2.gz NAQXLJTYPGVNGS-KCJUWKMLSA-N 1 2 364.265 2.228 20 5 FEBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000566806966 675244310 /nfs/dbraw/zinc/24/43/10/675244310.db2.gz ZQZWQGFJVKAZMD-ZDUSSCGKSA-N 1 2 351.428 2.456 20 5 FEBDLO CC(C)(C)[S@@](=O)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000823276938 675541564 /nfs/dbraw/zinc/54/15/64/675541564.db2.gz PXNGMHQOLCVNIW-VWLOTQADSA-N 1 2 364.427 2.058 20 5 FEBDLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000826994782 675722071 /nfs/dbraw/zinc/72/20/71/675722071.db2.gz NOIDAAIXIDKANF-SNVBAGLBSA-N 1 2 370.203 2.384 20 5 FEBDLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000826994782 675722072 /nfs/dbraw/zinc/72/20/72/675722072.db2.gz NOIDAAIXIDKANF-SNVBAGLBSA-N 1 2 370.203 2.384 20 5 FEBDLO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1F ZINC000764297173 680806083 /nfs/dbraw/zinc/80/60/83/680806083.db2.gz DNUQSLDQPWGYKY-HOTGVXAUSA-N 1 2 351.378 2.107 20 5 FEBDLO O=C(NC1(C2CC[NH+](C/C(Cl)=C/Cl)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000153078 680421542 /nfs/dbraw/zinc/42/15/42/680421542.db2.gz IEDZMYWWZWIAJQ-FUTHCOOYSA-N 1 2 362.257 2.331 20 5 FEBDLO O=C(NCC1CC[NH+](Cc2cc(F)ccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001398454 680460102 /nfs/dbraw/zinc/46/01/02/680460102.db2.gz FDEQEVTWRTZPFE-GDBMZVCRSA-N 1 2 369.824 2.473 20 5 FEBDLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000842963227 680977634 /nfs/dbraw/zinc/97/76/34/680977634.db2.gz CGPUBMDLRSGOCI-NHYWBVRUSA-N 1 2 372.805 2.141 20 5 FEBDLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000842963227 680977635 /nfs/dbraw/zinc/97/76/35/680977635.db2.gz CGPUBMDLRSGOCI-NHYWBVRUSA-N 1 2 372.805 2.141 20 5 FEBDLO CC1(C)CN=C(N2CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)S1 ZINC000776276700 681378551 /nfs/dbraw/zinc/37/85/51/681378551.db2.gz IXLOJRQEFHBUFH-OAHLLOKOSA-N 1 2 364.471 2.127 20 5 FEBDLO COC(=O)[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccc(Cl)cc1 ZINC000848489593 681560051 /nfs/dbraw/zinc/56/00/51/681560051.db2.gz OWBIKWKEAXOFIM-LSDHHAIUSA-N 1 2 364.789 2.291 20 5 FEBDLO COC(=O)[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccc(Cl)cc1 ZINC000848489593 681560057 /nfs/dbraw/zinc/56/00/57/681560057.db2.gz OWBIKWKEAXOFIM-LSDHHAIUSA-N 1 2 364.789 2.291 20 5 FEBDLO C[C@@H](C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[NH+]1CCSCC1 ZINC000913384793 685476037 /nfs/dbraw/zinc/47/60/37/685476037.db2.gz GDHKOUQDRDAJIJ-VIFPVBQESA-N 1 2 361.826 2.441 20 5 FEBDLO Cc1nn(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000779867395 681762205 /nfs/dbraw/zinc/76/22/05/681762205.db2.gz ICEADPORNOHDHZ-WCQYABFASA-N 1 2 353.423 2.292 20 5 FEBDLO Cc1nn(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000779867395 681762212 /nfs/dbraw/zinc/76/22/12/681762212.db2.gz ICEADPORNOHDHZ-WCQYABFASA-N 1 2 353.423 2.292 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000786783125 682404846 /nfs/dbraw/zinc/40/48/46/682404846.db2.gz RFNDAMTZNKQODB-ZDUSSCGKSA-N 1 2 350.400 2.036 20 5 FEBDLO COc1ccc(CSCC(=O)OCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000793251303 682875158 /nfs/dbraw/zinc/87/51/58/682875158.db2.gz PWDBEMUGOAMOHM-UHFFFAOYSA-N 1 2 365.411 2.356 20 5 FEBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857979465 682929450 /nfs/dbraw/zinc/92/94/50/682929450.db2.gz CBCPBYLGSDNZRG-CYBMUJFWSA-N 1 2 362.411 2.405 20 5 FEBDLO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857978579 682929804 /nfs/dbraw/zinc/92/98/04/682929804.db2.gz ORZYABVAXZWOEZ-NSHDSACASA-N 1 2 363.761 2.278 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000795128400 683021161 /nfs/dbraw/zinc/02/11/61/683021161.db2.gz DVSNJDOLVXZIHA-IUODEOHRSA-N 1 2 350.444 2.087 20 5 FEBDLO C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000920314045 683333120 /nfs/dbraw/zinc/33/31/20/683333120.db2.gz UIAORYLFKJYHRB-NSHDSACASA-N 1 2 361.851 2.401 20 5 FEBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000928635510 683479040 /nfs/dbraw/zinc/47/90/40/683479040.db2.gz DQNPMTDGOVPRNB-CYBMUJFWSA-N 1 2 353.444 2.157 20 5 FEBDLO COC1(OC)CCOC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000931668569 684324460 /nfs/dbraw/zinc/32/44/60/684324460.db2.gz SHYIULHRZLMYQD-MRXNPFEDSA-N 1 2 354.403 2.250 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH+](CCc2cnccn2)CC1 ZINC000877703692 686440724 /nfs/dbraw/zinc/44/07/24/686440724.db2.gz PYDFKVJLBPYGTI-UHFFFAOYSA-N 1 2 361.833 2.399 20 5 FEBDLO O=C(C[NH+]1CCC2(CC1)COCCO2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880541215 687058965 /nfs/dbraw/zinc/05/89/65/687058965.db2.gz DRJVTKMTFAMKLB-UHFFFAOYSA-N 1 2 369.805 2.068 20 5 FEBDLO C[C@H](Nc1cccc(Br)c1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000895244918 689683237 /nfs/dbraw/zinc/68/32/37/689683237.db2.gz ATKKDTRDWLNFDV-GWCFXTLKSA-N 1 2 357.252 2.404 20 5 FEBDLO C[C@H](Nc1cccc(Br)c1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000895244918 689683240 /nfs/dbraw/zinc/68/32/40/689683240.db2.gz ATKKDTRDWLNFDV-GWCFXTLKSA-N 1 2 357.252 2.404 20 5 FEBDLO C[NH+](C)Cc1csc(CNc2c(Br)cncc2[N+](=O)[O-])n1 ZINC000895484681 689724697 /nfs/dbraw/zinc/72/46/97/689724697.db2.gz TWCKOUNYUJLEBS-UHFFFAOYSA-N 1 2 372.248 2.304 20 5 FEBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@](CO)(C(F)(F)F)C1)OCCO2 ZINC000895845117 689779578 /nfs/dbraw/zinc/77/95/78/689779578.db2.gz NDRPZSRSEAKQSZ-AWEZNQCLSA-N 1 2 362.304 2.113 20 5 FEBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1)OCCO2 ZINC000895845117 689779581 /nfs/dbraw/zinc/77/95/81/689779581.db2.gz NDRPZSRSEAKQSZ-AWEZNQCLSA-N 1 2 362.304 2.113 20 5 FEBDLO O=C(NCC1(Br)CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000910222994 691902704 /nfs/dbraw/zinc/90/27/04/691902704.db2.gz VXFCJURHFCPYNO-UHFFFAOYSA-N 1 2 365.187 2.438 20 5 FEBDLO CSc1nc(Cl)nc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC001165036909 721911425 /nfs/dbraw/zinc/91/14/25/721911425.db2.gz DPBRTIVHAXHOTJ-JTQLQIEISA-N 1 2 373.866 2.061 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000007048242 539445893 /nfs/dbraw/zinc/44/58/93/539445893.db2.gz FLQBXCQWMYUGHL-VIFPVBQESA-N 1 2 363.399 2.403 20 5 FEBDLO O=C(NCCNc1ccc([N+](=O)[O-])cc1)NCc1cn2ccccc2[nH+]1 ZINC000009735934 539506727 /nfs/dbraw/zinc/50/67/27/539506727.db2.gz GBSGPIOARMRBCB-UHFFFAOYSA-N 1 2 354.370 2.154 20 5 FEBDLO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000016830385 539637523 /nfs/dbraw/zinc/63/75/23/539637523.db2.gz BPYABIMIULTTRF-SFHVURJKSA-N 1 2 369.421 2.327 20 5 FEBDLO COC(=O)c1ccc([C@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)o1 ZINC000026595089 539790315 /nfs/dbraw/zinc/79/03/15/539790315.db2.gz MFIJJOKMTYVHJO-LBPRGKRZSA-N 1 2 360.370 2.253 20 5 FEBDLO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348562 539785021 /nfs/dbraw/zinc/78/50/21/539785021.db2.gz LTYWMPZWNSNWHN-CYBMUJFWSA-N 1 2 368.393 2.400 20 5 FEBDLO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348562 539785024 /nfs/dbraw/zinc/78/50/24/539785024.db2.gz LTYWMPZWNSNWHN-CYBMUJFWSA-N 1 2 368.393 2.400 20 5 FEBDLO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744231 540326832 /nfs/dbraw/zinc/32/68/32/540326832.db2.gz ZKQMEYYONLUQMX-MRXNPFEDSA-N 1 2 368.437 2.422 20 5 FEBDLO O=C(C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)NCc1ccccc1F ZINC000047743289 540327029 /nfs/dbraw/zinc/32/70/29/540327029.db2.gz LUOHLTRDKAPPHZ-UHFFFAOYSA-N 1 2 372.400 2.172 20 5 FEBDLO Cc1cc([NH+](C)C)ccc1Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000052242400 540459562 /nfs/dbraw/zinc/45/95/62/540459562.db2.gz FGFVRMAWSQVPBE-UHFFFAOYSA-N 1 2 350.400 2.360 20 5 FEBDLO COCc1ccccc1CNC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000052589575 540476721 /nfs/dbraw/zinc/47/67/21/540476721.db2.gz IVXNHILWVBYISE-UHFFFAOYSA-N 1 2 357.410 2.489 20 5 FEBDLO COCc1ccccc1CNC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000052589575 540476723 /nfs/dbraw/zinc/47/67/23/540476723.db2.gz IVXNHILWVBYISE-UHFFFAOYSA-N 1 2 357.410 2.489 20 5 FEBDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054174146 540572982 /nfs/dbraw/zinc/57/29/82/540572982.db2.gz BMKOZJAVVBPMIU-AWEZNQCLSA-N 1 2 366.487 2.175 20 5 FEBDLO O=C(NCCc1cn2ccccc2[nH+]1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054644917 540599904 /nfs/dbraw/zinc/59/99/04/540599904.db2.gz ORZVITVXRSDLJZ-UHFFFAOYSA-N 1 2 353.382 2.327 20 5 FEBDLO Cc1noc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000054678861 540602664 /nfs/dbraw/zinc/60/26/64/540602664.db2.gz REDKXAREHYKQAC-LLVKDONJSA-N 1 2 359.386 2.493 20 5 FEBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000064724318 541215595 /nfs/dbraw/zinc/21/55/95/541215595.db2.gz JLKHJXSOMTZBJM-WDEREUQCSA-N 1 2 352.778 2.417 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000067544727 541477956 /nfs/dbraw/zinc/47/79/56/541477956.db2.gz PIUYYUYSQBWKOW-UHFFFAOYSA-N 1 2 353.338 2.114 20 5 FEBDLO COc1ccc(CC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000067905762 541527126 /nfs/dbraw/zinc/52/71/26/541527126.db2.gz VAFIOYYKERAYOQ-UHFFFAOYSA-N 1 2 370.409 2.458 20 5 FEBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCc1cn2c([nH+]1)CCCC2 ZINC000068181814 541559522 /nfs/dbraw/zinc/55/95/22/541559522.db2.gz TVHTVFYCSNUPBV-UHFFFAOYSA-N 1 2 367.409 2.441 20 5 FEBDLO COc1ccc(CC(=O)NCc2cn3c(cccc3C)[nH+]2)cc1[N+](=O)[O-] ZINC000068570119 541610731 /nfs/dbraw/zinc/61/07/31/541610731.db2.gz NKQOTJDCKIXKJK-UHFFFAOYSA-N 1 2 354.366 2.418 20 5 FEBDLO Cc1cccc2[nH+]c(CNC(=O)NCCNc3ccccc3[N+](=O)[O-])cn21 ZINC000069391318 541682216 /nfs/dbraw/zinc/68/22/16/541682216.db2.gz CYSUDDLZHIFQBJ-UHFFFAOYSA-N 1 2 368.397 2.462 20 5 FEBDLO CC[C@H](C)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OC ZINC000070669067 541734934 /nfs/dbraw/zinc/73/49/34/541734934.db2.gz XCTWUZZYUNDPLR-XHDPSFHLSA-N 1 2 360.370 2.098 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000071092290 541763794 /nfs/dbraw/zinc/76/37/94/541763794.db2.gz WDIRPFARAFWMDQ-UHFFFAOYSA-N 1 2 359.367 2.285 20 5 FEBDLO CCn1cc(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000072888504 541888340 /nfs/dbraw/zinc/88/83/40/541888340.db2.gz UWBIUIKTRCXFKF-UHFFFAOYSA-N 1 2 354.370 2.269 20 5 FEBDLO Cc1cc(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000080971195 542620154 /nfs/dbraw/zinc/62/01/54/542620154.db2.gz WKJPZJUTJMIHIU-UHFFFAOYSA-N 1 2 369.425 2.449 20 5 FEBDLO C[NH+](C)CCOc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000093867963 542943172 /nfs/dbraw/zinc/94/31/72/542943172.db2.gz BMEUFRMUNQHQLT-UHFFFAOYSA-N 1 2 365.411 2.336 20 5 FEBDLO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000070709064 136138438 /nfs/dbraw/zinc/13/84/38/136138438.db2.gz VUDIKAZRNAZMKH-GJZGRUSLSA-N 1 2 360.458 2.465 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CCCC2=O)CC1 ZINC000104729966 543140203 /nfs/dbraw/zinc/14/02/03/543140203.db2.gz JMWSSSFQWSSZHF-CYBMUJFWSA-N 1 2 360.414 2.009 20 5 FEBDLO NC(=O)CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000110633736 543363246 /nfs/dbraw/zinc/36/32/46/543363246.db2.gz BQGBEMNYUWCGEP-LLVKDONJSA-N 1 2 368.821 2.164 20 5 FEBDLO NC(=O)CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000110633736 543363248 /nfs/dbraw/zinc/36/32/48/543363248.db2.gz BQGBEMNYUWCGEP-LLVKDONJSA-N 1 2 368.821 2.164 20 5 FEBDLO CNC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000111263684 543389838 /nfs/dbraw/zinc/38/98/38/543389838.db2.gz UWAKUDNSDIWEBP-MNOVXSKESA-N 1 2 368.821 2.033 20 5 FEBDLO CNC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000111263684 543389840 /nfs/dbraw/zinc/38/98/40/543389840.db2.gz UWAKUDNSDIWEBP-MNOVXSKESA-N 1 2 368.821 2.033 20 5 FEBDLO CNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000111264612 543389989 /nfs/dbraw/zinc/38/99/89/543389989.db2.gz IHYTYXMYMBTQKS-QWRGUYRKSA-N 1 2 368.821 2.033 20 5 FEBDLO CNC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000111264612 543389992 /nfs/dbraw/zinc/38/99/92/543389992.db2.gz IHYTYXMYMBTQKS-QWRGUYRKSA-N 1 2 368.821 2.033 20 5 FEBDLO Cc1nn(CCC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c(C)c1[N+](=O)[O-] ZINC000112668429 543456328 /nfs/dbraw/zinc/45/63/28/543456328.db2.gz OYPCZBULEDZKRK-UHFFFAOYSA-N 1 2 374.445 2.240 20 5 FEBDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000115388859 543564540 /nfs/dbraw/zinc/56/45/40/543564540.db2.gz AFEZEHAHJVHLBP-UHFFFAOYSA-N 1 2 371.441 2.212 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000126180768 543922531 /nfs/dbraw/zinc/92/25/31/543922531.db2.gz IIDPGGJIUGJTTP-AWEZNQCLSA-N 1 2 351.403 2.433 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+](C)C[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000126180768 543922535 /nfs/dbraw/zinc/92/25/35/543922535.db2.gz IIDPGGJIUGJTTP-AWEZNQCLSA-N 1 2 351.403 2.433 20 5 FEBDLO CCC1(CO)CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000128269010 544042800 /nfs/dbraw/zinc/04/28/00/544042800.db2.gz YRQDPMOYWHIEAG-UHFFFAOYSA-N 1 2 351.403 2.026 20 5 FEBDLO O=C(C[N@@H+]1CCS[C@H]2COCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000135561821 544353296 /nfs/dbraw/zinc/35/32/96/544353296.db2.gz GKQLGKUVBQVGRJ-KBPBESRZSA-N 1 2 371.846 2.393 20 5 FEBDLO O=C(C[N@H+]1CCS[C@H]2COCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000135561821 544353298 /nfs/dbraw/zinc/35/32/98/544353298.db2.gz GKQLGKUVBQVGRJ-KBPBESRZSA-N 1 2 371.846 2.393 20 5 FEBDLO Cc1cc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000184236436 327857793 /nfs/dbraw/zinc/85/77/93/327857793.db2.gz POXAXLJVRQOXMT-UHFFFAOYSA-N 1 2 355.398 2.233 20 5 FEBDLO CC[C@]1(CO)CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000187640097 328037399 /nfs/dbraw/zinc/03/73/99/328037399.db2.gz OFJZMHYAGIHYCA-KRWDZBQOSA-N 1 2 351.403 2.026 20 5 FEBDLO CC[C@]1(CO)CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000187640097 328037401 /nfs/dbraw/zinc/03/74/01/328037401.db2.gz OFJZMHYAGIHYCA-KRWDZBQOSA-N 1 2 351.403 2.026 20 5 FEBDLO O=C(N[C@H](CCO)c1ccco1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000187945829 328055829 /nfs/dbraw/zinc/05/58/29/328055829.db2.gz RHXITTIIIOWTGS-CYBMUJFWSA-N 1 2 356.338 2.227 20 5 FEBDLO CCCN1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000189208835 328134960 /nfs/dbraw/zinc/13/49/60/328134960.db2.gz HUSVDCCWVGBQTR-UHFFFAOYSA-N 1 2 371.441 2.440 20 5 FEBDLO CCCN1CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000189208835 328134961 /nfs/dbraw/zinc/13/49/61/328134961.db2.gz HUSVDCCWVGBQTR-UHFFFAOYSA-N 1 2 371.441 2.440 20 5 FEBDLO CCc1nnc(C2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000190656575 328222453 /nfs/dbraw/zinc/22/24/53/328222453.db2.gz XBCJTYYQUSHKPW-GFCCVEGCSA-N 1 2 372.429 2.482 20 5 FEBDLO CCc1n[nH]c(C2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000190656575 328222455 /nfs/dbraw/zinc/22/24/55/328222455.db2.gz XBCJTYYQUSHKPW-GFCCVEGCSA-N 1 2 372.429 2.482 20 5 FEBDLO CCc1nc(C2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000190656575 328222456 /nfs/dbraw/zinc/22/24/56/328222456.db2.gz XBCJTYYQUSHKPW-GFCCVEGCSA-N 1 2 372.429 2.482 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000191324518 328260210 /nfs/dbraw/zinc/26/02/10/328260210.db2.gz HBVJNPFTXRCWES-KBPBESRZSA-N 1 2 350.419 2.442 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)n1 ZINC000191569562 328271754 /nfs/dbraw/zinc/27/17/54/328271754.db2.gz BJTBNOIPRORRJD-UHFFFAOYSA-N 1 2 370.369 2.339 20 5 FEBDLO COc1cccc(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)c1[N+](=O)[O-] ZINC000192685394 328333140 /nfs/dbraw/zinc/33/31/40/328333140.db2.gz XTPAQCKIFGSGIM-UHFFFAOYSA-N 1 2 371.393 2.267 20 5 FEBDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193699505 328390260 /nfs/dbraw/zinc/39/02/60/328390260.db2.gz LOGGLPBUZPRJRU-GFCCVEGCSA-N 1 2 352.347 2.214 20 5 FEBDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193699505 328390261 /nfs/dbraw/zinc/39/02/61/328390261.db2.gz LOGGLPBUZPRJRU-GFCCVEGCSA-N 1 2 352.347 2.214 20 5 FEBDLO CCc1nsc(N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000076063111 324917243 /nfs/dbraw/zinc/91/72/43/324917243.db2.gz WUKRJSIKEPBSQD-UHFFFAOYSA-N 1 2 363.443 2.210 20 5 FEBDLO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000077009261 324974556 /nfs/dbraw/zinc/97/45/56/324974556.db2.gz VHTLIBXKMBVBEQ-UHFFFAOYSA-N 1 2 363.414 2.065 20 5 FEBDLO NC(=O)C1CCN(c2[nH+]cccc2CNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000078445603 325046379 /nfs/dbraw/zinc/04/63/79/325046379.db2.gz ZPJXWSPMGNHWDI-UHFFFAOYSA-N 1 2 373.388 2.443 20 5 FEBDLO Nc1c(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000086171223 325262043 /nfs/dbraw/zinc/26/20/43/325262043.db2.gz ZGZWYAUWRMEEHR-UHFFFAOYSA-N 1 2 356.382 2.262 20 5 FEBDLO CCCS(=O)(=O)NC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103466647 325519500 /nfs/dbraw/zinc/51/95/00/325519500.db2.gz LGSUBPKJENIRFT-UHFFFAOYSA-N 1 2 359.423 2.028 20 5 FEBDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])s3)c[nH+]2)CCO1 ZINC000107584521 325630850 /nfs/dbraw/zinc/63/08/50/325630850.db2.gz PMYFDEDPDZIRRS-LLVKDONJSA-N 1 2 362.411 2.206 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866518 326109810 /nfs/dbraw/zinc/10/98/10/326109810.db2.gz PTFQKZXILWQRDY-CQSZACIVSA-N 1 2 371.397 2.123 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866518 326109813 /nfs/dbraw/zinc/10/98/13/326109813.db2.gz PTFQKZXILWQRDY-CQSZACIVSA-N 1 2 371.397 2.123 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)c1 ZINC000120325793 326249918 /nfs/dbraw/zinc/24/99/18/326249918.db2.gz UFTUWIADVULKJU-OAHLLOKOSA-N 1 2 353.386 2.414 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)c1 ZINC000120325793 326249920 /nfs/dbraw/zinc/24/99/20/326249920.db2.gz UFTUWIADVULKJU-OAHLLOKOSA-N 1 2 353.386 2.414 20 5 FEBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000120331159 326250462 /nfs/dbraw/zinc/25/04/62/326250462.db2.gz AWDBEWFKDUJRIE-AWEZNQCLSA-N 1 2 357.414 2.222 20 5 FEBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000126612882 326492134 /nfs/dbraw/zinc/49/21/34/326492134.db2.gz ODHZJSFWQZHICP-NSHDSACASA-N 1 2 364.229 2.031 20 5 FEBDLO CCC(CC)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OC ZINC000128024737 326516688 /nfs/dbraw/zinc/51/66/88/326516688.db2.gz KIOZWJWCJXXYLO-UHFFFAOYSA-N 1 2 374.397 2.490 20 5 FEBDLO O=C(N[C@@H](CO)c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000132252833 326589535 /nfs/dbraw/zinc/58/95/35/326589535.db2.gz QAVOIEQWVHXSPL-HNNXBMFYSA-N 1 2 352.350 2.244 20 5 FEBDLO CC(=O)Nc1nc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000173473511 327259922 /nfs/dbraw/zinc/25/99/22/327259922.db2.gz FUFPWKZFCDRWRK-NSHDSACASA-N 1 2 362.415 2.091 20 5 FEBDLO CC(=O)Nc1nc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000173473511 327259924 /nfs/dbraw/zinc/25/99/24/327259924.db2.gz FUFPWKZFCDRWRK-NSHDSACASA-N 1 2 362.415 2.091 20 5 FEBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175246129 327382196 /nfs/dbraw/zinc/38/21/96/327382196.db2.gz VLVCYQCVCOPAGN-WDEREUQCSA-N 1 2 368.821 2.163 20 5 FEBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175246129 327382197 /nfs/dbraw/zinc/38/21/97/327382197.db2.gz VLVCYQCVCOPAGN-WDEREUQCSA-N 1 2 368.821 2.163 20 5 FEBDLO CC(C)(NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000175480522 327395184 /nfs/dbraw/zinc/39/51/84/327395184.db2.gz OWCFWCWJEOIENI-UHFFFAOYSA-N 1 2 364.446 2.240 20 5 FEBDLO CC(C)(NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000175480522 327395185 /nfs/dbraw/zinc/39/51/85/327395185.db2.gz OWCFWCWJEOIENI-UHFFFAOYSA-N 1 2 364.446 2.240 20 5 FEBDLO O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262308085 328858131 /nfs/dbraw/zinc/85/81/31/328858131.db2.gz CMRPVZCKTGDMOK-CABCVRRESA-N 1 2 359.357 2.315 20 5 FEBDLO O=[N+]([O-])c1ccccc1CCNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000266231383 329202907 /nfs/dbraw/zinc/20/29/07/329202907.db2.gz JQTOZXREILYFRN-AWEZNQCLSA-N 1 2 357.414 2.248 20 5 FEBDLO O=[N+]([O-])c1ccccc1CCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000266231383 329202909 /nfs/dbraw/zinc/20/29/09/329202909.db2.gz JQTOZXREILYFRN-AWEZNQCLSA-N 1 2 357.414 2.248 20 5 FEBDLO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@@H+]1C[C@H](C)O ZINC000267235599 329305504 /nfs/dbraw/zinc/30/55/04/329305504.db2.gz LXFBJXMPFGFBLB-QWRGUYRKSA-N 1 2 373.251 2.034 20 5 FEBDLO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@H+]1C[C@H](C)O ZINC000267235599 329305506 /nfs/dbraw/zinc/30/55/06/329305506.db2.gz LXFBJXMPFGFBLB-QWRGUYRKSA-N 1 2 373.251 2.034 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000273318144 329855271 /nfs/dbraw/zinc/85/52/71/329855271.db2.gz JQKPRSIVMZSMJX-UHFFFAOYSA-N 1 2 352.398 2.330 20 5 FEBDLO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2nnc(C)s2)c([N+](=O)[O-])c1 ZINC000273651086 329881701 /nfs/dbraw/zinc/88/17/01/329881701.db2.gz WFCHATYXVKPYJI-QMMMGPOBSA-N 1 2 351.388 2.053 20 5 FEBDLO Cc1cc(N2CCO[C@]3(CCOC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000274467890 329951908 /nfs/dbraw/zinc/95/19/08/329951908.db2.gz YQPGKOGRZUNGBB-GOSISDBHSA-N 1 2 356.382 2.356 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000275547078 330062086 /nfs/dbraw/zinc/06/20/86/330062086.db2.gz BGSNZVDRVXQWMH-UHFFFAOYSA-N 1 2 372.385 2.056 20 5 FEBDLO CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC[NH+](C2CCOCC2)CC1 ZINC000367132700 330220968 /nfs/dbraw/zinc/22/09/68/330220968.db2.gz FOJAMQCJYTZVNN-UHFFFAOYSA-N 1 2 363.414 2.016 20 5 FEBDLO Cc1ccc([C@@H](C)NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000176073161 546401844 /nfs/dbraw/zinc/40/18/44/546401844.db2.gz UFBVAFQVCORYHL-CQSZACIVSA-N 1 2 364.446 2.374 20 5 FEBDLO Cc1ccc([C@@H](C)NC(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000176073161 546401845 /nfs/dbraw/zinc/40/18/45/546401845.db2.gz UFBVAFQVCORYHL-CQSZACIVSA-N 1 2 364.446 2.374 20 5 FEBDLO Cc1cccc(CCNc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])[nH+]1 ZINC000480504771 561210672 /nfs/dbraw/zinc/21/06/72/561210672.db2.gz BYOQGUHCRDSDGF-UHFFFAOYSA-N 1 2 364.427 2.203 20 5 FEBDLO COc1ccc(C[N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1O ZINC000177226582 546574579 /nfs/dbraw/zinc/57/45/79/546574579.db2.gz PAEHNUBEZCWJNT-UHFFFAOYSA-N 1 2 371.393 2.330 20 5 FEBDLO COc1ccc(C[N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1O ZINC000177226582 546574582 /nfs/dbraw/zinc/57/45/82/546574582.db2.gz PAEHNUBEZCWJNT-UHFFFAOYSA-N 1 2 371.393 2.330 20 5 FEBDLO O=C(c1ccccc1O)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000177750531 546679656 /nfs/dbraw/zinc/67/96/56/546679656.db2.gz XPLZJQWYTBOAKM-UHFFFAOYSA-N 1 2 371.393 2.137 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)n1 ZINC000178211838 546758947 /nfs/dbraw/zinc/75/89/47/546758947.db2.gz NIKROXWEUVJHIJ-UHFFFAOYSA-N 1 2 370.413 2.007 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1C ZINC000481442899 561232909 /nfs/dbraw/zinc/23/29/09/561232909.db2.gz WXQNARZKJYSUMG-NSHDSACASA-N 1 2 352.416 2.023 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000178601123 546817524 /nfs/dbraw/zinc/81/75/24/546817524.db2.gz OCWCKYMCIGMEPH-CQSZACIVSA-N 1 2 373.862 2.248 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000178601123 546817530 /nfs/dbraw/zinc/81/75/30/546817530.db2.gz OCWCKYMCIGMEPH-CQSZACIVSA-N 1 2 373.862 2.248 20 5 FEBDLO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000179404852 546947787 /nfs/dbraw/zinc/94/77/87/546947787.db2.gz IDQVKFZBCKWBDZ-CYBMUJFWSA-N 1 2 363.439 2.338 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)Cn1c2ccccc2[nH+]c1CCCO ZINC000182211943 547455202 /nfs/dbraw/zinc/45/52/02/547455202.db2.gz ZLGRJQFKPRJOJS-AWEZNQCLSA-N 1 2 371.393 2.309 20 5 FEBDLO Cn1cc[nH+]c1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000485536488 561321656 /nfs/dbraw/zinc/32/16/56/561321656.db2.gz KEAQSVHLUYSXEO-UHFFFAOYSA-N 1 2 358.276 2.199 20 5 FEBDLO COC(=O)COc1ccc(CNc2[nH]c3cc(F)ccc3[nH+]2)cc1[N+](=O)[O-] ZINC000485954554 561333331 /nfs/dbraw/zinc/33/33/31/561333331.db2.gz UGFGGZYXDQYLRI-UHFFFAOYSA-N 1 2 374.328 2.196 20 5 FEBDLO Cc1c(C[N@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000245800455 548997899 /nfs/dbraw/zinc/99/78/99/548997899.db2.gz IYLVFWUWQSQZGV-JKSUJKDBSA-N 1 2 368.455 2.071 20 5 FEBDLO Cc1c(C[N@@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000245800455 548997902 /nfs/dbraw/zinc/99/79/02/548997902.db2.gz IYLVFWUWQSQZGV-JKSUJKDBSA-N 1 2 368.455 2.071 20 5 FEBDLO COc1cc(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000488711410 561395037 /nfs/dbraw/zinc/39/50/37/561395037.db2.gz IBGDGTRUZTVWGU-HNNXBMFYSA-N 1 2 362.430 2.181 20 5 FEBDLO COc1cc(C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000488711410 561395038 /nfs/dbraw/zinc/39/50/38/561395038.db2.gz IBGDGTRUZTVWGU-HNNXBMFYSA-N 1 2 362.430 2.181 20 5 FEBDLO C[C@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000247773837 549379016 /nfs/dbraw/zinc/37/90/16/549379016.db2.gz WMNXVJJVKDLQES-XJKSGUPXSA-N 1 2 364.427 2.204 20 5 FEBDLO Cc1ccc([C@H]2C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000248468739 549446805 /nfs/dbraw/zinc/44/68/05/549446805.db2.gz UGRHGMSFECVNKB-RDTXWAMCSA-N 1 2 362.382 2.309 20 5 FEBDLO Cc1ccc([C@H]2C[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000248468739 549446808 /nfs/dbraw/zinc/44/68/08/549446808.db2.gz UGRHGMSFECVNKB-RDTXWAMCSA-N 1 2 362.382 2.309 20 5 FEBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000490178539 561428302 /nfs/dbraw/zinc/42/83/02/561428302.db2.gz NZJLTKFSJRFUSW-GFCCVEGCSA-N 1 2 373.818 2.422 20 5 FEBDLO Cc1nnc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000268411376 550060806 /nfs/dbraw/zinc/06/08/06/550060806.db2.gz APAOWZZNLYGMSD-AAEUAGOBSA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1nnc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000268411376 550060810 /nfs/dbraw/zinc/06/08/10/550060810.db2.gz APAOWZZNLYGMSD-AAEUAGOBSA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000268411376 550060814 /nfs/dbraw/zinc/06/08/14/550060814.db2.gz APAOWZZNLYGMSD-AAEUAGOBSA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000268411376 550060817 /nfs/dbraw/zinc/06/08/17/550060817.db2.gz APAOWZZNLYGMSD-AAEUAGOBSA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)[nH]1 ZINC000268440460 550066257 /nfs/dbraw/zinc/06/62/57/550066257.db2.gz GTGJRAKSYXUMNW-CYBMUJFWSA-N 1 2 358.402 2.148 20 5 FEBDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)[nH]1 ZINC000268440460 550066260 /nfs/dbraw/zinc/06/62/60/550066260.db2.gz GTGJRAKSYXUMNW-CYBMUJFWSA-N 1 2 358.402 2.148 20 5 FEBDLO C[C@@H](CNc1cc(Br)ccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000268823886 550120141 /nfs/dbraw/zinc/12/01/41/550120141.db2.gz QFEZEFVJJIODRD-NSHDSACASA-N 1 2 357.252 2.405 20 5 FEBDLO O=C(C[N@@H+]1CCS[C@@H]2COCC[C@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000268999048 550142452 /nfs/dbraw/zinc/14/24/52/550142452.db2.gz YTAPDMLHABYWHU-TZMCWYRMSA-N 1 2 371.846 2.393 20 5 FEBDLO O=C(C[N@H+]1CCS[C@@H]2COCC[C@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000268999048 550142456 /nfs/dbraw/zinc/14/24/56/550142456.db2.gz YTAPDMLHABYWHU-TZMCWYRMSA-N 1 2 371.846 2.393 20 5 FEBDLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000269099550 550154772 /nfs/dbraw/zinc/15/47/72/550154772.db2.gz QOQFSHDVQOJHRG-GFCCVEGCSA-N 1 2 361.851 2.152 20 5 FEBDLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000269099550 550154774 /nfs/dbraw/zinc/15/47/74/550154774.db2.gz QOQFSHDVQOJHRG-GFCCVEGCSA-N 1 2 361.851 2.152 20 5 FEBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[NH+](CCc2cccs2)CC1 ZINC000272611976 550460730 /nfs/dbraw/zinc/46/07/30/550460730.db2.gz SLDDPKJZOZMTPJ-UHFFFAOYSA-N 1 2 361.423 2.362 20 5 FEBDLO COc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000272854014 550473499 /nfs/dbraw/zinc/47/34/99/550473499.db2.gz WASXKTJJZJBUOK-GOSISDBHSA-N 1 2 371.393 2.443 20 5 FEBDLO COc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000272854014 550473501 /nfs/dbraw/zinc/47/35/01/550473501.db2.gz WASXKTJJZJBUOK-GOSISDBHSA-N 1 2 371.393 2.443 20 5 FEBDLO COC(=O)c1cc(NC(=O)NCCCn2cc[nH+]c2)c(C)c([N+](=O)[O-])c1 ZINC000277098000 550631703 /nfs/dbraw/zinc/63/17/03/550631703.db2.gz DWKOUKGBAXPPDK-UHFFFAOYSA-N 1 2 361.358 2.098 20 5 FEBDLO C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000277732092 550707565 /nfs/dbraw/zinc/70/75/65/550707565.db2.gz TVUWMBOURULBLB-ZJWNCGCPSA-N 1 2 362.455 2.338 20 5 FEBDLO C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000277732092 550707566 /nfs/dbraw/zinc/70/75/66/550707566.db2.gz TVUWMBOURULBLB-ZJWNCGCPSA-N 1 2 362.455 2.338 20 5 FEBDLO CC(C)c1[nH]nc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1[N+](=O)[O-] ZINC000278016260 550739196 /nfs/dbraw/zinc/73/91/96/550739196.db2.gz JMPLTXGFCKPZNO-GHMZBOCLSA-N 1 2 362.390 2.417 20 5 FEBDLO CC(C)c1[nH]nc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1[N+](=O)[O-] ZINC000278016260 550739198 /nfs/dbraw/zinc/73/91/98/550739198.db2.gz JMPLTXGFCKPZNO-GHMZBOCLSA-N 1 2 362.390 2.417 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000278067015 550745203 /nfs/dbraw/zinc/74/52/03/550745203.db2.gz VMALYHYCHOVWAZ-UHFFFAOYSA-N 1 2 355.822 2.397 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000278067015 550745204 /nfs/dbraw/zinc/74/52/04/550745204.db2.gz VMALYHYCHOVWAZ-UHFFFAOYSA-N 1 2 355.822 2.397 20 5 FEBDLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000278259695 550766270 /nfs/dbraw/zinc/76/62/70/550766270.db2.gz IDDSOHFIXTYQSW-IUODEOHRSA-N 1 2 358.822 2.094 20 5 FEBDLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000278259695 550766272 /nfs/dbraw/zinc/76/62/72/550766272.db2.gz IDDSOHFIXTYQSW-IUODEOHRSA-N 1 2 358.822 2.094 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278993817 550844589 /nfs/dbraw/zinc/84/45/89/550844589.db2.gz RIDONRLGRRRQRY-UHFFFAOYSA-N 1 2 372.429 2.039 20 5 FEBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000279327978 550877994 /nfs/dbraw/zinc/87/79/94/550877994.db2.gz PBZUXUUQOKYYIU-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000279327978 550877995 /nfs/dbraw/zinc/87/79/95/550877995.db2.gz PBZUXUUQOKYYIU-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCN1C ZINC000280518361 551002751 /nfs/dbraw/zinc/00/27/51/551002751.db2.gz QNNSWSNGYULLDA-LBPRGKRZSA-N 1 2 370.335 2.235 20 5 FEBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000280522031 551003512 /nfs/dbraw/zinc/00/35/12/551003512.db2.gz RBOPGQYXIQZFQL-WQGACYEGSA-N 1 2 351.359 2.271 20 5 FEBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000280522031 551003514 /nfs/dbraw/zinc/00/35/14/551003514.db2.gz RBOPGQYXIQZFQL-WQGACYEGSA-N 1 2 351.359 2.271 20 5 FEBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CCO2 ZINC000280526868 551004210 /nfs/dbraw/zinc/00/42/10/551004210.db2.gz SFDMRACZCPJEKY-PXAZEXFGSA-N 1 2 360.370 2.025 20 5 FEBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CCO2 ZINC000280526868 551004211 /nfs/dbraw/zinc/00/42/11/551004211.db2.gz SFDMRACZCPJEKY-PXAZEXFGSA-N 1 2 360.370 2.025 20 5 FEBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c([N+](=O)[O-])cc1OC ZINC000280617823 551014034 /nfs/dbraw/zinc/01/40/34/551014034.db2.gz ZLTPCYGLQMVHGZ-VEVIJQCQSA-N 1 2 366.414 2.380 20 5 FEBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c([N+](=O)[O-])cc1OC ZINC000280617823 551014036 /nfs/dbraw/zinc/01/40/36/551014036.db2.gz ZLTPCYGLQMVHGZ-VEVIJQCQSA-N 1 2 366.414 2.380 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](CCCO)Cc3ccccn3)o2)cc1 ZINC000280997846 551053200 /nfs/dbraw/zinc/05/32/00/551053200.db2.gz MJCJSMKHLAYIPA-UHFFFAOYSA-N 1 2 369.381 2.424 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](CCCO)Cc3ccccn3)o2)cc1 ZINC000280997846 551053202 /nfs/dbraw/zinc/05/32/02/551053202.db2.gz MJCJSMKHLAYIPA-UHFFFAOYSA-N 1 2 369.381 2.424 20 5 FEBDLO COC(=O)CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000497738352 561507649 /nfs/dbraw/zinc/50/76/49/561507649.db2.gz RIYGTROEUUBTSQ-UHFFFAOYSA-N 1 2 369.805 2.462 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000283394599 551359464 /nfs/dbraw/zinc/35/94/64/551359464.db2.gz GRIQGJUYXNNSGU-UHFFFAOYSA-N 1 2 370.409 2.347 20 5 FEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284294437 551517260 /nfs/dbraw/zinc/51/72/60/551517260.db2.gz ZODFRQDRYRPAPX-APHBMKBZSA-N 1 2 365.455 2.007 20 5 FEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284294437 551517262 /nfs/dbraw/zinc/51/72/62/551517262.db2.gz ZODFRQDRYRPAPX-APHBMKBZSA-N 1 2 365.455 2.007 20 5 FEBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000284676724 551605021 /nfs/dbraw/zinc/60/50/21/551605021.db2.gz GAGIQYRTCUTPRF-UONOGXRCSA-N 1 2 354.794 2.185 20 5 FEBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000284676724 551605022 /nfs/dbraw/zinc/60/50/22/551605022.db2.gz GAGIQYRTCUTPRF-UONOGXRCSA-N 1 2 354.794 2.185 20 5 FEBDLO COc1cc(CN2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000286189090 551859082 /nfs/dbraw/zinc/85/90/82/551859082.db2.gz XLCSSOKCFZOZPX-JSGCOSHPSA-N 1 2 353.394 2.038 20 5 FEBDLO Cc1cc(C[NH+]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)CC2)on1 ZINC000286266603 551867562 /nfs/dbraw/zinc/86/75/62/551867562.db2.gz WFCZRWVGEGGJOU-UHFFFAOYSA-N 1 2 360.399 2.218 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCn3c(cc4ccccc43)C2)c1 ZINC000287280041 551984425 /nfs/dbraw/zinc/98/44/25/551984425.db2.gz JPWYEQUTMBABFC-KRWDZBQOSA-N 1 2 355.398 2.013 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCn3c(cc4ccccc43)C2)c1 ZINC000287280041 551984427 /nfs/dbraw/zinc/98/44/27/551984427.db2.gz JPWYEQUTMBABFC-KRWDZBQOSA-N 1 2 355.398 2.013 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000287355996 551993506 /nfs/dbraw/zinc/99/35/06/551993506.db2.gz NOCZXTKHBFOQMF-KBPBESRZSA-N 1 2 370.409 2.078 20 5 FEBDLO O=c1nc([C@@H]2CCC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)[nH][nH]1 ZINC000289460149 552325353 /nfs/dbraw/zinc/32/53/53/552325353.db2.gz QAPWTFJALKQKSS-GFCCVEGCSA-N 1 2 370.369 2.041 20 5 FEBDLO O=c1nc([C@@H]2CCC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)[nH][nH]1 ZINC000289460149 552325354 /nfs/dbraw/zinc/32/53/54/552325354.db2.gz QAPWTFJALKQKSS-GFCCVEGCSA-N 1 2 370.369 2.041 20 5 FEBDLO Cc1ccn2cc(CNS(=O)(=O)CCc3ccccc3[N+](=O)[O-])[nH+]c2c1 ZINC000500645458 561578601 /nfs/dbraw/zinc/57/86/01/561578601.db2.gz VKDSAKGRXQROOZ-UHFFFAOYSA-N 1 2 374.422 2.213 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000290024745 552415960 /nfs/dbraw/zinc/41/59/60/552415960.db2.gz VHZYDKXVTZZYST-AWEZNQCLSA-N 1 2 373.413 2.384 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000290024745 552415962 /nfs/dbraw/zinc/41/59/62/552415962.db2.gz VHZYDKXVTZZYST-AWEZNQCLSA-N 1 2 373.413 2.384 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000500680832 561579399 /nfs/dbraw/zinc/57/93/99/561579399.db2.gz CJNDDCUISXVXMV-UHFFFAOYSA-N 1 2 356.382 2.269 20 5 FEBDLO Cc1cnn([C@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C2)c1 ZINC000291315980 552613979 /nfs/dbraw/zinc/61/39/79/552613979.db2.gz QYUPSBYPSGSWIE-HNNXBMFYSA-N 1 2 366.381 2.373 20 5 FEBDLO O=C(C[N@@H+]1CCC(F)(F)[C@@H](CO)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000291698310 552652396 /nfs/dbraw/zinc/65/23/96/552652396.db2.gz HXIHTIXQVRUTPE-SECBINFHSA-N 1 2 363.748 2.136 20 5 FEBDLO O=C(C[N@H+]1CCC(F)(F)[C@@H](CO)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000291698310 552652398 /nfs/dbraw/zinc/65/23/98/552652398.db2.gz HXIHTIXQVRUTPE-SECBINFHSA-N 1 2 363.748 2.136 20 5 FEBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2c([N+](=O)[O-])cnn2C)c(C)c1 ZINC000501488713 561598645 /nfs/dbraw/zinc/59/86/45/561598645.db2.gz RIPKEZDXKRDNIP-OAHLLOKOSA-N 1 2 368.397 2.313 20 5 FEBDLO O=C(C[NH+]1CCC2(CC1)OCCCO2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000292962542 552775326 /nfs/dbraw/zinc/77/53/26/552775326.db2.gz JOXVNZLVBQUOQB-UHFFFAOYSA-N 1 2 369.805 2.416 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000293013241 552780388 /nfs/dbraw/zinc/78/03/88/552780388.db2.gz DUCWIEPMVKSCDE-MRXNPFEDSA-N 1 2 351.403 2.289 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000293013241 552780390 /nfs/dbraw/zinc/78/03/90/552780390.db2.gz DUCWIEPMVKSCDE-MRXNPFEDSA-N 1 2 351.403 2.289 20 5 FEBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000293158605 552794433 /nfs/dbraw/zinc/79/44/33/552794433.db2.gz OQHWAZLPHXCDQB-IBGZPJMESA-N 1 2 369.421 2.476 20 5 FEBDLO CCOc1cc(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000293465157 552826483 /nfs/dbraw/zinc/82/64/83/552826483.db2.gz WZOKWWXJWRAOOF-AWEZNQCLSA-N 1 2 356.444 2.250 20 5 FEBDLO CCOc1cc(C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000293465157 552826485 /nfs/dbraw/zinc/82/64/85/552826485.db2.gz WZOKWWXJWRAOOF-AWEZNQCLSA-N 1 2 356.444 2.250 20 5 FEBDLO CCC[C@@H](C)C(=O)NCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000293795265 552857122 /nfs/dbraw/zinc/85/71/22/552857122.db2.gz XSYGFKIDNPXXEL-CYBMUJFWSA-N 1 2 373.413 2.063 20 5 FEBDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)S1 ZINC000295098452 552958770 /nfs/dbraw/zinc/95/87/70/552958770.db2.gz XANAIUKYTZCGEM-SNVBAGLBSA-N 1 2 368.846 2.497 20 5 FEBDLO CCn1cc[nH+]c1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000295529129 553021363 /nfs/dbraw/zinc/02/13/63/553021363.db2.gz BMJJQPHZFAWGPL-UHFFFAOYSA-N 1 2 357.414 2.344 20 5 FEBDLO Cc1cc(F)c(NC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000296781693 553210861 /nfs/dbraw/zinc/21/08/61/553210861.db2.gz PPEWUWGGUJRQIG-LRDDRELGSA-N 1 2 366.393 2.227 20 5 FEBDLO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000299505318 553572958 /nfs/dbraw/zinc/57/29/58/553572958.db2.gz IQBDXWVSBPATIT-UHFFFAOYSA-N 1 2 366.381 2.454 20 5 FEBDLO Cc1n[nH]c(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000299514337 553573998 /nfs/dbraw/zinc/57/39/98/553573998.db2.gz HFNNZMQWUWZACM-VMPITWQZSA-N 1 2 355.398 2.098 20 5 FEBDLO Cc1[nH]nc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000299514337 553573999 /nfs/dbraw/zinc/57/39/99/553573999.db2.gz HFNNZMQWUWZACM-VMPITWQZSA-N 1 2 355.398 2.098 20 5 FEBDLO COCCN(CC(F)F)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000299590255 553585432 /nfs/dbraw/zinc/58/54/32/553585432.db2.gz KSHYIXOHQXETIU-UHFFFAOYSA-N 1 2 354.313 2.134 20 5 FEBDLO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000505477218 561671763 /nfs/dbraw/zinc/67/17/63/561671763.db2.gz RWGAWNLIDPPYEQ-KRWDZBQOSA-N 1 2 351.366 2.258 20 5 FEBDLO O=[N+]([O-])c1ccc(CCNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)cc1 ZINC000302897736 553740436 /nfs/dbraw/zinc/74/04/36/553740436.db2.gz PNNKMFULWMRWTJ-MRXNPFEDSA-N 1 2 357.414 2.391 20 5 FEBDLO O=[N+]([O-])c1ccc(CCNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)cc1 ZINC000302897736 553740440 /nfs/dbraw/zinc/74/04/40/553740440.db2.gz PNNKMFULWMRWTJ-MRXNPFEDSA-N 1 2 357.414 2.391 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000332118306 554384058 /nfs/dbraw/zinc/38/40/58/554384058.db2.gz FBOLXAJNAGEOIY-LSDHHAIUSA-N 1 2 351.428 2.048 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000332118306 554384061 /nfs/dbraw/zinc/38/40/61/554384061.db2.gz FBOLXAJNAGEOIY-LSDHHAIUSA-N 1 2 351.428 2.048 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000332447137 554447448 /nfs/dbraw/zinc/44/74/48/554447448.db2.gz DCWDSMSGZCIASZ-CYBMUJFWSA-N 1 2 353.444 2.373 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000510479192 561835966 /nfs/dbraw/zinc/83/59/66/561835966.db2.gz IRQDVRDQQKHWBR-UHFFFAOYSA-N 1 2 356.361 2.211 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000510479192 561835968 /nfs/dbraw/zinc/83/59/68/561835968.db2.gz IRQDVRDQQKHWBR-UHFFFAOYSA-N 1 2 356.361 2.211 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1CN1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000510479192 561835972 /nfs/dbraw/zinc/83/59/72/561835972.db2.gz IRQDVRDQQKHWBR-UHFFFAOYSA-N 1 2 356.361 2.211 20 5 FEBDLO Cn1c2ccc(CNC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)cc2[nH+]c1C1CC1 ZINC000510675059 561843002 /nfs/dbraw/zinc/84/30/02/561843002.db2.gz NTASVPXABZGMBU-UHFFFAOYSA-N 1 2 367.365 2.390 20 5 FEBDLO Cc1nc([N+](=O)[O-])c(-c2noc(Cc3cn4cccc(C)c4[nH+]3)n2)n1C ZINC000350924419 554822685 /nfs/dbraw/zinc/82/26/85/554822685.db2.gz LJBKGXDTLBPPCH-UHFFFAOYSA-N 1 2 353.342 2.234 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@H](CO)C3)nc2c1 ZINC000511647535 561876357 /nfs/dbraw/zinc/87/63/57/561876357.db2.gz KNDIVNRZWOKKBP-GXSJLCMTSA-N 1 2 358.320 2.464 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H](C(F)(F)F)[C@H](CO)C3)nc2c1 ZINC000511647535 561876358 /nfs/dbraw/zinc/87/63/58/561876358.db2.gz KNDIVNRZWOKKBP-GXSJLCMTSA-N 1 2 358.320 2.464 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000363208665 555054048 /nfs/dbraw/zinc/05/40/48/555054048.db2.gz DVWUSAIOBPIKDC-ZIAGYGMSSA-N 1 2 373.413 2.464 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000363208665 555054049 /nfs/dbraw/zinc/05/40/49/555054049.db2.gz DVWUSAIOBPIKDC-ZIAGYGMSSA-N 1 2 373.413 2.464 20 5 FEBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363546913 555134046 /nfs/dbraw/zinc/13/40/46/555134046.db2.gz SGQXGYXJXZCWEA-HIFRSBDPSA-N 1 2 365.455 2.009 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC000363646005 555154077 /nfs/dbraw/zinc/15/40/77/555154077.db2.gz SVKXAKVVIXXPCK-ZDUSSCGKSA-N 1 2 374.441 2.303 20 5 FEBDLO CCCn1nc2c(cc1=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000364762365 555395869 /nfs/dbraw/zinc/39/58/69/555395869.db2.gz ZJFCNBWTISVROE-UHFFFAOYSA-N 1 2 373.369 2.028 20 5 FEBDLO CCCn1nc2c(cc1=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000364762365 555395870 /nfs/dbraw/zinc/39/58/70/555395870.db2.gz ZJFCNBWTISVROE-UHFFFAOYSA-N 1 2 373.369 2.028 20 5 FEBDLO COc1cc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])cc1OC ZINC000365380273 555557899 /nfs/dbraw/zinc/55/78/99/555557899.db2.gz QYFHMAOGAIFSHB-UHFFFAOYSA-N 1 2 374.397 2.417 20 5 FEBDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000366460238 555850395 /nfs/dbraw/zinc/85/03/95/555850395.db2.gz IEKJMFGRPQPEFX-GOSISDBHSA-N 1 2 374.441 2.132 20 5 FEBDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000366460238 555850398 /nfs/dbraw/zinc/85/03/98/555850398.db2.gz IEKJMFGRPQPEFX-GOSISDBHSA-N 1 2 374.441 2.132 20 5 FEBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)NCCc1ccc([N+](=O)[O-])cc1 ZINC000514061386 561959230 /nfs/dbraw/zinc/95/92/30/561959230.db2.gz FSUZRMMJMOKCIG-UHFFFAOYSA-N 1 2 357.414 2.212 20 5 FEBDLO Cc1nn(C)c(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000366911444 555966905 /nfs/dbraw/zinc/96/69/05/555966905.db2.gz MAMFVJRMCSXOHQ-ZDUSSCGKSA-N 1 2 363.805 2.077 20 5 FEBDLO CN(C)c1ncnc(Cl)c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000366997958 555993341 /nfs/dbraw/zinc/99/33/41/555993341.db2.gz UODJRUZXOMSNJA-UHFFFAOYSA-N 1 2 365.825 2.138 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000369351132 556577144 /nfs/dbraw/zinc/57/71/44/556577144.db2.gz ZSKZWEIXXKQNHF-ZDUSSCGKSA-N 1 2 364.427 2.205 20 5 FEBDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000369537018 556624413 /nfs/dbraw/zinc/62/44/13/556624413.db2.gz MTUGMLJPHBRAMD-KSSFIOAISA-N 1 2 363.414 2.193 20 5 FEBDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000369537018 556624417 /nfs/dbraw/zinc/62/44/17/556624417.db2.gz MTUGMLJPHBRAMD-KSSFIOAISA-N 1 2 363.414 2.193 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000369703624 556673236 /nfs/dbraw/zinc/67/32/36/556673236.db2.gz NBNTZDOZLVDJIM-UHFFFAOYSA-N 1 2 371.397 2.175 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000370358917 556850057 /nfs/dbraw/zinc/85/00/57/556850057.db2.gz RVDFDXRDMXOZDA-LLVKDONJSA-N 1 2 358.383 2.310 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000370827200 556981264 /nfs/dbraw/zinc/98/12/64/556981264.db2.gz QVDSYKKUAJSGEQ-CYBMUJFWSA-N 1 2 373.331 2.160 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000371504179 557203519 /nfs/dbraw/zinc/20/35/19/557203519.db2.gz CXIBNHMLQWRNOQ-MRXNPFEDSA-N 1 2 355.398 2.055 20 5 FEBDLO Nc1c(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc(F)cc1[N+](=O)[O-] ZINC000518268166 562107534 /nfs/dbraw/zinc/10/75/34/562107534.db2.gz ABBGUVFRXCFJQY-UHFFFAOYSA-N 1 2 369.356 2.491 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000372222317 557413784 /nfs/dbraw/zinc/41/37/84/557413784.db2.gz AMHGQZCNXBWRLJ-CYBMUJFWSA-N 1 2 371.397 2.040 20 5 FEBDLO O=C(c1ccc[nH]1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000373211921 557650923 /nfs/dbraw/zinc/65/09/23/557650923.db2.gz XHORKMUJNXVNRL-UHFFFAOYSA-N 1 2 373.369 2.179 20 5 FEBDLO O=C(c1ccc[nH]1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000373211921 557650925 /nfs/dbraw/zinc/65/09/25/557650925.db2.gz XHORKMUJNXVNRL-UHFFFAOYSA-N 1 2 373.369 2.179 20 5 FEBDLO Cc1ncccc1O[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000375458662 558031099 /nfs/dbraw/zinc/03/10/99/558031099.db2.gz QFSCBUFJXJADEX-CQSZACIVSA-N 1 2 356.382 2.390 20 5 FEBDLO Cc1ncccc1O[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000375458662 558031101 /nfs/dbraw/zinc/03/11/01/558031101.db2.gz QFSCBUFJXJADEX-CQSZACIVSA-N 1 2 356.382 2.390 20 5 FEBDLO O=C(Nc1c[nH+]ccc1-n1ccnn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000377420172 558337144 /nfs/dbraw/zinc/33/71/44/558337144.db2.gz PSEMHXQVCNTYBO-UHFFFAOYSA-N 1 2 365.353 2.397 20 5 FEBDLO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1F ZINC000378309125 558526426 /nfs/dbraw/zinc/52/64/26/558526426.db2.gz DHGOAYAMTSVEAG-SECBINFHSA-N 1 2 358.333 2.442 20 5 FEBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000378494534 558569047 /nfs/dbraw/zinc/56/90/47/558569047.db2.gz WMXVVTVAMJHLAV-LLVKDONJSA-N 1 2 370.394 2.003 20 5 FEBDLO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC(n2cc[nH+]c2)C1 ZINC000523689973 562217724 /nfs/dbraw/zinc/21/77/24/562217724.db2.gz KBQYOWCMTHYSKK-UHFFFAOYSA-N 1 2 355.398 2.091 20 5 FEBDLO CCc1n[nH]c(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)c1[N+](=O)[O-] ZINC000523981276 562222588 /nfs/dbraw/zinc/22/25/88/562222588.db2.gz JSYIKFMDDVMPAU-ZDUSSCGKSA-N 1 2 354.370 2.133 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000408085008 558645088 /nfs/dbraw/zinc/64/50/88/558645088.db2.gz VWDNRGZSZVLSDJ-MNOVXSKESA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000408085008 558645089 /nfs/dbraw/zinc/64/50/89/558645089.db2.gz VWDNRGZSZVLSDJ-MNOVXSKESA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000408183645 558654813 /nfs/dbraw/zinc/65/48/13/558654813.db2.gz SYDCVBIFLXOURD-KBPBESRZSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1cc(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000408183645 558654814 /nfs/dbraw/zinc/65/48/14/558654814.db2.gz SYDCVBIFLXOURD-KBPBESRZSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000411580620 558922079 /nfs/dbraw/zinc/92/20/79/558922079.db2.gz GXHREJWBDROTMI-AAEUAGOBSA-N 1 2 357.370 2.169 20 5 FEBDLO Cc1nnc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000412024080 559003222 /nfs/dbraw/zinc/00/32/22/559003222.db2.gz BEYUPRUGALIKLU-WCQYABFASA-N 1 2 358.402 2.146 20 5 FEBDLO Cc1nnc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000412024080 559003223 /nfs/dbraw/zinc/00/32/23/559003223.db2.gz BEYUPRUGALIKLU-WCQYABFASA-N 1 2 358.402 2.146 20 5 FEBDLO Cc1n[nH]c([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000412024080 559003225 /nfs/dbraw/zinc/00/32/25/559003225.db2.gz BEYUPRUGALIKLU-WCQYABFASA-N 1 2 358.402 2.146 20 5 FEBDLO Cc1n[nH]c([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000412024080 559003226 /nfs/dbraw/zinc/00/32/26/559003226.db2.gz BEYUPRUGALIKLU-WCQYABFASA-N 1 2 358.402 2.146 20 5 FEBDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000417363168 559359308 /nfs/dbraw/zinc/35/93/08/559359308.db2.gz ANCPSOJXWKQOGP-CJNGLKHVSA-N 1 2 365.384 2.347 20 5 FEBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425441171 559702470 /nfs/dbraw/zinc/70/24/70/559702470.db2.gz HYVCGJPWDOUHHB-BHYNMZESSA-N 1 2 368.231 2.443 20 5 FEBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425441171 559702471 /nfs/dbraw/zinc/70/24/71/559702471.db2.gz HYVCGJPWDOUHHB-BHYNMZESSA-N 1 2 368.231 2.443 20 5 FEBDLO CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425473480 559704184 /nfs/dbraw/zinc/70/41/84/559704184.db2.gz KFQKTKGZSMAJIH-UHFFFAOYSA-N 1 2 371.235 2.251 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425545548 559708974 /nfs/dbraw/zinc/70/89/74/559708974.db2.gz KAEKBSABZZEKJS-UWVGGRQHSA-N 1 2 364.793 2.183 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425545548 559708975 /nfs/dbraw/zinc/70/89/75/559708975.db2.gz KAEKBSABZZEKJS-UWVGGRQHSA-N 1 2 364.793 2.183 20 5 FEBDLO CC[C@@H]1C[N@H+](CCNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000427755569 559761597 /nfs/dbraw/zinc/76/15/97/559761597.db2.gz ILWQCWITUFFZLF-DZGCQCFKSA-N 1 2 367.471 2.302 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000427755569 559761598 /nfs/dbraw/zinc/76/15/98/559761598.db2.gz ILWQCWITUFFZLF-DZGCQCFKSA-N 1 2 367.471 2.302 20 5 FEBDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CCO1 ZINC000428071985 559769233 /nfs/dbraw/zinc/76/92/33/559769233.db2.gz BLGDPQHZIBGARC-ZDUSSCGKSA-N 1 2 353.444 2.157 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CCO1 ZINC000428071985 559769234 /nfs/dbraw/zinc/76/92/34/559769234.db2.gz BLGDPQHZIBGARC-ZDUSSCGKSA-N 1 2 353.444 2.157 20 5 FEBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000428366046 559774104 /nfs/dbraw/zinc/77/41/04/559774104.db2.gz WKNYSFQFLAIJKT-HNNXBMFYSA-N 1 2 369.425 2.139 20 5 FEBDLO CCN1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433107161 559872122 /nfs/dbraw/zinc/87/21/22/559872122.db2.gz XTAKLAJOMHJSCS-OAHLLOKOSA-N 1 2 368.397 2.318 20 5 FEBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000440647450 560015329 /nfs/dbraw/zinc/01/53/29/560015329.db2.gz BCFJOWRKFRIXRD-QGZVFWFLSA-N 1 2 350.419 2.198 20 5 FEBDLO COc1cccc(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000440644609 560015404 /nfs/dbraw/zinc/01/54/04/560015404.db2.gz PCDHOAQWXPHQOX-UHFFFAOYSA-N 1 2 367.365 2.157 20 5 FEBDLO CCc1nc(C(C)(C)[NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])no1 ZINC000441225823 560026716 /nfs/dbraw/zinc/02/67/16/560026716.db2.gz DERRAUKKVKUMPT-UHFFFAOYSA-N 1 2 350.375 2.453 20 5 FEBDLO CCOc1ccccc1CN1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000441354291 560029531 /nfs/dbraw/zinc/02/95/31/560029531.db2.gz MTUDCWOONDFEAU-INIZCTEOSA-N 1 2 373.457 2.396 20 5 FEBDLO CCOc1ccccc1CN1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000441354291 560029532 /nfs/dbraw/zinc/02/95/32/560029532.db2.gz MTUDCWOONDFEAU-INIZCTEOSA-N 1 2 373.457 2.396 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc(C(F)(F)F)n[nH]3)C2)nc1 ZINC000442879299 560060394 /nfs/dbraw/zinc/06/03/94/560060394.db2.gz ITKMHPBISFPVFC-SECBINFHSA-N 1 2 356.308 2.418 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(C(F)(F)F)n[nH]3)C2)nc1 ZINC000442879299 560060395 /nfs/dbraw/zinc/06/03/95/560060395.db2.gz ITKMHPBISFPVFC-SECBINFHSA-N 1 2 356.308 2.418 20 5 FEBDLO CCO[C@@H]1C[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])[C@@H]1OC ZINC000447815419 560169900 /nfs/dbraw/zinc/16/99/00/560169900.db2.gz FWXSCPJRKNDOPX-NXHRZFHOSA-N 1 2 365.430 2.031 20 5 FEBDLO Cn1cc(I)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000449607496 560234678 /nfs/dbraw/zinc/23/46/78/560234678.db2.gz XRQWBCHSZNZMEG-UHFFFAOYSA-N 1 2 372.166 2.223 20 5 FEBDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000449747376 560238613 /nfs/dbraw/zinc/23/86/13/560238613.db2.gz WNNTUDQMIINJLP-GFCCVEGCSA-N 1 2 372.372 2.432 20 5 FEBDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000449747376 560238614 /nfs/dbraw/zinc/23/86/14/560238614.db2.gz WNNTUDQMIINJLP-GFCCVEGCSA-N 1 2 372.372 2.432 20 5 FEBDLO CN(C[C@@H]1CCCC[C@@H]1O)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450469249 560263301 /nfs/dbraw/zinc/26/33/01/560263301.db2.gz PHGQLJLQOYBQHB-YOEHRIQHSA-N 1 2 358.398 2.404 20 5 FEBDLO COc1cc(-c2noc(C[NH2+][C@@H](C)c3ccccc3[N+](=O)[O-])n2)ncn1 ZINC000450688429 560270177 /nfs/dbraw/zinc/27/01/77/560270177.db2.gz QCXFVEGAPAGQCT-JTQLQIEISA-N 1 2 356.342 2.294 20 5 FEBDLO CCc1cc(NC[C@@H]2CCOC[C@H]2OC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450693405 560270364 /nfs/dbraw/zinc/27/03/64/560270364.db2.gz LYSHZKWGISUTQZ-WMLDXEAASA-N 1 2 372.425 2.500 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]c(N(CC[NH+]3CCOCC3)Cc3ccco3)nc2c1 ZINC000450942434 560279442 /nfs/dbraw/zinc/27/94/42/560279442.db2.gz QZFQBVDSPLUYCR-UHFFFAOYSA-N 1 2 371.397 2.403 20 5 FEBDLO COC(=O)[C@H]1C[C@@H](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451004246 560281989 /nfs/dbraw/zinc/28/19/89/560281989.db2.gz VNEAIQULMHIBOD-BLLLJJGKSA-N 1 2 372.381 2.194 20 5 FEBDLO COc1cc(-c2noc(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])n2)ncn1 ZINC000451059903 560285054 /nfs/dbraw/zinc/28/50/54/560285054.db2.gz XOBWNXPRZSBKFF-UHFFFAOYSA-N 1 2 370.369 2.468 20 5 FEBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451428028 560306443 /nfs/dbraw/zinc/30/64/43/560306443.db2.gz KDRVLQACYVPYOC-VFZGTOFNSA-N 1 2 354.313 2.408 20 5 FEBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451428028 560306444 /nfs/dbraw/zinc/30/64/44/560306444.db2.gz KDRVLQACYVPYOC-VFZGTOFNSA-N 1 2 354.313 2.408 20 5 FEBDLO COC(=O)[C@]1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000451491083 560310177 /nfs/dbraw/zinc/31/01/77/560310177.db2.gz HHKGQPVPKOKVBE-KZULUSFZSA-N 1 2 372.381 2.052 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000451693157 560322511 /nfs/dbraw/zinc/32/25/11/560322511.db2.gz XCDJAHWSIUJFMB-AWEZNQCLSA-N 1 2 364.427 2.409 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCOC[C@@H]1CC(F)F ZINC000451720029 560324477 /nfs/dbraw/zinc/32/44/77/560324477.db2.gz UDFWZYUGDCENSW-LBPRGKRZSA-N 1 2 366.324 2.277 20 5 FEBDLO Cc1cnn([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)C2)c1 ZINC000451875264 560333765 /nfs/dbraw/zinc/33/37/65/560333765.db2.gz ZQTJOLSWWXNWSI-OAHLLOKOSA-N 1 2 366.381 2.373 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000451936324 560339241 /nfs/dbraw/zinc/33/92/41/560339241.db2.gz FGILCVHOKIEAAT-GWCFXTLKSA-N 1 2 350.400 2.338 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000451949784 560340207 /nfs/dbraw/zinc/34/02/07/560340207.db2.gz YRJATFXVCSRDSH-PWSUYJOCSA-N 1 2 350.400 2.392 20 5 FEBDLO CCOCC[N@@H+]1CCN(C(=O)c2c(OCC)cccc2[N+](=O)[O-])C[C@H]1C ZINC000458075983 560602187 /nfs/dbraw/zinc/60/21/87/560602187.db2.gz GFBVLKHNBCSEMK-CQSZACIVSA-N 1 2 365.430 2.176 20 5 FEBDLO CCOCC[N@H+]1CCN(C(=O)c2c(OCC)cccc2[N+](=O)[O-])C[C@H]1C ZINC000458075983 560602188 /nfs/dbraw/zinc/60/21/88/560602188.db2.gz GFBVLKHNBCSEMK-CQSZACIVSA-N 1 2 365.430 2.176 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459679385 560701980 /nfs/dbraw/zinc/70/19/80/560701980.db2.gz QGVGOKNPTSJGAK-HIFRSBDPSA-N 1 2 361.398 2.043 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459679385 560701981 /nfs/dbraw/zinc/70/19/81/560701981.db2.gz QGVGOKNPTSJGAK-HIFRSBDPSA-N 1 2 361.398 2.043 20 5 FEBDLO C/C=C\C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OCC ZINC000463417608 560813441 /nfs/dbraw/zinc/81/34/41/560813441.db2.gz PDSPMZZBHZTXPR-MFBWXBCUSA-N 1 2 372.381 2.408 20 5 FEBDLO Cc1sc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000467083994 560903311 /nfs/dbraw/zinc/90/33/11/560903311.db2.gz YOBRJIHIJHVAPU-UHFFFAOYSA-N 1 2 356.429 2.256 20 5 FEBDLO COc1cc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc([N+](=O)[O-])c1OC ZINC000469423753 560955066 /nfs/dbraw/zinc/95/50/66/560955066.db2.gz DXFIWICURDGDEC-AWEZNQCLSA-N 1 2 373.365 2.301 20 5 FEBDLO CCC(CC)[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000469510133 560956701 /nfs/dbraw/zinc/95/67/01/560956701.db2.gz ICOWOXFKCWHJPE-QGZVFWFLSA-N 1 2 365.430 2.167 20 5 FEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000470159334 560975739 /nfs/dbraw/zinc/97/57/39/560975739.db2.gz FLYUHAJYXLRFOW-INIZCTEOSA-N 1 2 361.442 2.145 20 5 FEBDLO CC[C@H]1C[N@H+](CCNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000470439437 560982009 /nfs/dbraw/zinc/98/20/09/560982009.db2.gz WGUNAGKXIQFKII-JSGCOSHPSA-N 1 2 353.394 2.064 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000470439437 560982010 /nfs/dbraw/zinc/98/20/10/560982010.db2.gz WGUNAGKXIQFKII-JSGCOSHPSA-N 1 2 353.394 2.064 20 5 FEBDLO CC[C@H]1C[N@H+](CCNC(=O)c2cc(SC)ccc2[N+](=O)[O-])CCO1 ZINC000470453333 560982626 /nfs/dbraw/zinc/98/26/26/560982626.db2.gz MNSGCGAEHSOYTB-LBPRGKRZSA-N 1 2 353.444 2.157 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2cc(SC)ccc2[N+](=O)[O-])CCO1 ZINC000470453333 560982627 /nfs/dbraw/zinc/98/26/27/560982627.db2.gz MNSGCGAEHSOYTB-LBPRGKRZSA-N 1 2 353.444 2.157 20 5 FEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000470458952 560982790 /nfs/dbraw/zinc/98/27/90/560982790.db2.gz MKXKLJWKGFLGJD-AEFFLSMTSA-N 1 2 363.458 2.391 20 5 FEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000470458952 560982791 /nfs/dbraw/zinc/98/27/91/560982791.db2.gz MKXKLJWKGFLGJD-AEFFLSMTSA-N 1 2 363.458 2.391 20 5 FEBDLO COC(=O)COc1ccc(C[N@@H+]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000475086328 561089767 /nfs/dbraw/zinc/08/97/67/561089767.db2.gz HISUFYNIYFSHNC-MRXNPFEDSA-N 1 2 352.387 2.003 20 5 FEBDLO COC(=O)COc1ccc(C[N@H+]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000475086328 561089768 /nfs/dbraw/zinc/08/97/68/561089768.db2.gz HISUFYNIYFSHNC-MRXNPFEDSA-N 1 2 352.387 2.003 20 5 FEBDLO CCOc1cc(N2CC[NH+](Cc3cnc(C)cn3)CC2)ccc1[N+](=O)[O-] ZINC000475507801 561098946 /nfs/dbraw/zinc/09/89/46/561098946.db2.gz ALENXCCLCXNZFN-UHFFFAOYSA-N 1 2 357.414 2.414 20 5 FEBDLO COc1c(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000476364281 561117735 /nfs/dbraw/zinc/11/77/35/561117735.db2.gz JTOHAXGQKZBTBE-ZDUSSCGKSA-N 1 2 358.398 2.432 20 5 FEBDLO Cc1cc[nH+]cc1N1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000534242137 562528209 /nfs/dbraw/zinc/52/82/09/562528209.db2.gz CVAGGXAPKYJEIM-UHFFFAOYSA-N 1 2 369.425 2.367 20 5 FEBDLO Cc1cc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)c[nH+]1 ZINC000535062180 562550079 /nfs/dbraw/zinc/55/00/79/562550079.db2.gz WEPHDGIPNZMADS-UHFFFAOYSA-N 1 2 355.398 2.383 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000535312123 562555562 /nfs/dbraw/zinc/55/55/62/562555562.db2.gz CDWWTBPWKLVHGL-QWHCGFSZSA-N 1 2 373.413 2.153 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000535312123 562555563 /nfs/dbraw/zinc/55/55/63/562555563.db2.gz CDWWTBPWKLVHGL-QWHCGFSZSA-N 1 2 373.413 2.153 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535312123 562555564 /nfs/dbraw/zinc/55/55/64/562555564.db2.gz CDWWTBPWKLVHGL-QWHCGFSZSA-N 1 2 373.413 2.153 20 5 FEBDLO Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])nn3C)n2)c(N2CCCC2)[nH+]1 ZINC000568136984 567931217 /nfs/dbraw/zinc/93/12/17/567931217.db2.gz LVWHHSHSSRZONL-UHFFFAOYSA-N 1 2 355.358 2.349 20 5 FEBDLO CC(C)Oc1nc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000568415515 568032011 /nfs/dbraw/zinc/03/20/11/568032011.db2.gz WDUHSBFMFFQGBG-KGLIPLIRSA-N 1 2 350.419 2.076 20 5 FEBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCCc1cn2ccccc2[nH+]1 ZINC000569041827 568278278 /nfs/dbraw/zinc/27/82/78/568278278.db2.gz FTRGNJQJAARANL-UHFFFAOYSA-N 1 2 360.320 2.422 20 5 FEBDLO CCc1ccc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000569357262 568396118 /nfs/dbraw/zinc/39/61/18/568396118.db2.gz CGOKGQGIBMQNAO-UHFFFAOYSA-N 1 2 364.427 2.380 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](c3ccncc3)C2)cc1 ZINC000570030164 568441903 /nfs/dbraw/zinc/44/19/03/568441903.db2.gz OVTHAHRKUBRIKB-HNNXBMFYSA-N 1 2 361.423 2.253 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](c3ccncc3)C2)cc1 ZINC000570030164 568441905 /nfs/dbraw/zinc/44/19/05/568441905.db2.gz OVTHAHRKUBRIKB-HNNXBMFYSA-N 1 2 361.423 2.253 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000578792610 671689877 /nfs/dbraw/zinc/68/98/77/671689877.db2.gz GCSWMELDHWORGZ-CQSZACIVSA-N 1 2 351.794 2.169 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000578792610 671689878 /nfs/dbraw/zinc/68/98/78/671689878.db2.gz GCSWMELDHWORGZ-CQSZACIVSA-N 1 2 351.794 2.169 20 5 FEBDLO CCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000610002202 675946598 /nfs/dbraw/zinc/94/65/98/675946598.db2.gz MTUWMEYKKPEJRP-OCCSQVGLSA-N 1 2 351.403 2.431 20 5 FEBDLO CCO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000610002202 675946601 /nfs/dbraw/zinc/94/66/01/675946601.db2.gz MTUWMEYKKPEJRP-OCCSQVGLSA-N 1 2 351.403 2.431 20 5 FEBDLO C[C@H](CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[S@@](C)=O ZINC000581087419 671862230 /nfs/dbraw/zinc/86/22/30/671862230.db2.gz LXHRWACCKGEWSN-BKNZZOIVSA-N 1 2 350.444 2.164 20 5 FEBDLO C[C@@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[NH+]1CCSCC1 ZINC000133343861 672109658 /nfs/dbraw/zinc/10/96/58/672109658.db2.gz YZVBNGSAVWLAHJ-NSHDSACASA-N 1 2 361.427 2.361 20 5 FEBDLO C[C@@H]1[C@H](O)CC[N@@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000590762453 672613842 /nfs/dbraw/zinc/61/38/42/672613842.db2.gz XEECPLWGBKFJQV-QMTHXVAHSA-N 1 2 362.411 2.112 20 5 FEBDLO C[C@@H]1[C@H](O)CC[N@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000590762453 672613844 /nfs/dbraw/zinc/61/38/44/672613844.db2.gz XEECPLWGBKFJQV-QMTHXVAHSA-N 1 2 362.411 2.112 20 5 FEBDLO CC[N@H+](C)CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462521329 673258268 /nfs/dbraw/zinc/25/82/68/673258268.db2.gz AQUNFFVOJIPCAJ-UHFFFAOYSA-N 1 2 356.231 2.132 20 5 FEBDLO CC[N@@H+](C)CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462521329 673258270 /nfs/dbraw/zinc/25/82/70/673258270.db2.gz AQUNFFVOJIPCAJ-UHFFFAOYSA-N 1 2 356.231 2.132 20 5 FEBDLO Nc1c(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597097606 673447575 /nfs/dbraw/zinc/44/75/75/673447575.db2.gz OXNKXVOADLVQJG-VIFPVBQESA-N 1 2 350.766 2.163 20 5 FEBDLO CSc1ccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000598000967 673528850 /nfs/dbraw/zinc/52/88/50/673528850.db2.gz WLCXETOTNLPQJB-NEPJUHHUSA-N 1 2 353.444 2.156 20 5 FEBDLO CSc1ccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000598000967 673528852 /nfs/dbraw/zinc/52/88/52/673528852.db2.gz WLCXETOTNLPQJB-NEPJUHHUSA-N 1 2 353.444 2.156 20 5 FEBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598948085 673624350 /nfs/dbraw/zinc/62/43/50/673624350.db2.gz OTOFMSBWTQMYPS-JQWIXIFHSA-N 1 2 364.789 2.343 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCc3scnc32)cc1 ZINC000599046622 673630106 /nfs/dbraw/zinc/63/01/06/673630106.db2.gz YQMMJHIMPHZXIX-ZDUSSCGKSA-N 1 2 367.452 2.492 20 5 FEBDLO CCO[C@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C1CC1 ZINC000599266602 673650594 /nfs/dbraw/zinc/65/05/94/673650594.db2.gz KGUWJOHGZQVWII-CYBMUJFWSA-N 1 2 353.444 2.229 20 5 FEBDLO C[C@@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000741144948 673672723 /nfs/dbraw/zinc/67/27/23/673672723.db2.gz HHSHFMQEFQBXQL-MFKMUULPSA-N 1 2 353.350 2.088 20 5 FEBDLO C[C@@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000741144948 673672726 /nfs/dbraw/zinc/67/27/26/673672726.db2.gz HHSHFMQEFQBXQL-MFKMUULPSA-N 1 2 353.350 2.088 20 5 FEBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1c[nH+]cn1C ZINC000547805040 673889759 /nfs/dbraw/zinc/88/97/59/673889759.db2.gz SYINWFRWSLBDJI-JTQLQIEISA-N 1 2 352.778 2.108 20 5 FEBDLO C[N@@H+]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(C)(C)C ZINC000602873864 673912431 /nfs/dbraw/zinc/91/24/31/673912431.db2.gz MOQPQHPBFMUFDW-MRXNPFEDSA-N 1 2 369.487 2.031 20 5 FEBDLO C[N@H+]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(C)(C)C ZINC000602873864 673912436 /nfs/dbraw/zinc/91/24/36/673912436.db2.gz MOQPQHPBFMUFDW-MRXNPFEDSA-N 1 2 369.487 2.031 20 5 FEBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1SC[C@@H]1C[N@H+](C)CCO1 ZINC000567381439 675288926 /nfs/dbraw/zinc/28/89/26/675288926.db2.gz WIBLQSSBLFCAJK-JTQLQIEISA-N 1 2 360.819 2.458 20 5 FEBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1SC[C@@H]1C[N@@H+](C)CCO1 ZINC000567381439 675288929 /nfs/dbraw/zinc/28/89/29/675288929.db2.gz WIBLQSSBLFCAJK-JTQLQIEISA-N 1 2 360.819 2.458 20 5 FEBDLO Cc1cc(Cl)c(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000825678284 675663410 /nfs/dbraw/zinc/66/34/10/675663410.db2.gz BXLKEXPYQUKDPC-UHFFFAOYSA-N 1 2 355.822 2.397 20 5 FEBDLO Cc1cc(Cl)c(C(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000825678284 675663413 /nfs/dbraw/zinc/66/34/13/675663413.db2.gz BXLKEXPYQUKDPC-UHFFFAOYSA-N 1 2 355.822 2.397 20 5 FEBDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000765030300 680828089 /nfs/dbraw/zinc/82/80/89/680828089.db2.gz OOCJIBQMVGQDOH-ZDUSSCGKSA-N 1 2 364.427 2.191 20 5 FEBDLO COC(=O)C[C@H]1CSCC[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000765030300 680828092 /nfs/dbraw/zinc/82/80/92/680828092.db2.gz OOCJIBQMVGQDOH-ZDUSSCGKSA-N 1 2 364.427 2.191 20 5 FEBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000832415264 680131491 /nfs/dbraw/zinc/13/14/91/680131491.db2.gz OUBYKKIDTNROGY-GFCCVEGCSA-N 1 2 359.423 2.147 20 5 FEBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000832415264 680131494 /nfs/dbraw/zinc/13/14/94/680131494.db2.gz OUBYKKIDTNROGY-GFCCVEGCSA-N 1 2 359.423 2.147 20 5 FEBDLO O=C(NCC1CC[NH+](Cc2cc(O)ccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001401095 680460383 /nfs/dbraw/zinc/46/03/83/680460383.db2.gz YPPUWNXDVSYFMR-GDBMZVCRSA-N 1 2 367.833 2.039 20 5 FEBDLO Cc1nn(C[N@@H+]2CCCN(CC(F)F)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000766372656 680874968 /nfs/dbraw/zinc/87/49/68/680874968.db2.gz ZPMJUIXSPKCDCH-UHFFFAOYSA-N 1 2 353.373 2.483 20 5 FEBDLO Cc1nn(C[N@H+]2CCCN(CC(F)F)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000766372656 680874970 /nfs/dbraw/zinc/87/49/70/680874970.db2.gz ZPMJUIXSPKCDCH-UHFFFAOYSA-N 1 2 353.373 2.483 20 5 FEBDLO C[C@@H](c1nccs1)N1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000767000148 680896217 /nfs/dbraw/zinc/89/62/17/680896217.db2.gz AOTCPCMOMABTLM-BBRMVZONSA-N 1 2 362.455 2.464 20 5 FEBDLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000768544403 680950129 /nfs/dbraw/zinc/95/01/29/680950129.db2.gz OYESNFZMKIPUBO-GFCCVEGCSA-N 1 2 361.851 2.009 20 5 FEBDLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000768544403 680950131 /nfs/dbraw/zinc/95/01/31/680950131.db2.gz OYESNFZMKIPUBO-GFCCVEGCSA-N 1 2 361.851 2.009 20 5 FEBDLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000842963223 680977773 /nfs/dbraw/zinc/97/77/73/680977773.db2.gz CGPUBMDLRSGOCI-IAQYHMDHSA-N 1 2 372.805 2.141 20 5 FEBDLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000842963223 680977775 /nfs/dbraw/zinc/97/77/75/680977775.db2.gz CGPUBMDLRSGOCI-IAQYHMDHSA-N 1 2 372.805 2.141 20 5 FEBDLO C[N@H+](CC(F)F)C1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000845651808 681142877 /nfs/dbraw/zinc/14/28/77/681142877.db2.gz IQZXYQBEAJOLGV-UHFFFAOYSA-N 1 2 359.348 2.464 20 5 FEBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000845651808 681142879 /nfs/dbraw/zinc/14/28/79/681142879.db2.gz IQZXYQBEAJOLGV-UHFFFAOYSA-N 1 2 359.348 2.464 20 5 FEBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCc2ccccc2Cl)C1 ZINC000950055666 681670735 /nfs/dbraw/zinc/67/07/35/681670735.db2.gz KBLHQCJXMGAVRS-GDBMZVCRSA-N 1 2 351.834 2.080 20 5 FEBDLO O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000913386107 685476128 /nfs/dbraw/zinc/47/61/28/685476128.db2.gz NYOCUBURPSSDAS-SNVBAGLBSA-N 1 2 352.753 2.463 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000935933767 681857852 /nfs/dbraw/zinc/85/78/52/681857852.db2.gz NPQICWCBBJSZFV-TZMCWYRMSA-N 1 2 365.455 2.252 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000935933764 681858181 /nfs/dbraw/zinc/85/81/81/681858181.db2.gz NPQICWCBBJSZFV-GXTWGEPZSA-N 1 2 365.455 2.252 20 5 FEBDLO Cc1noc(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)c1[N+](=O)[O-] ZINC000851920514 682185347 /nfs/dbraw/zinc/18/53/47/682185347.db2.gz ASDFLWGEQYKHIN-SECBINFHSA-N 1 2 354.388 2.114 20 5 FEBDLO COC(=O)CC1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000918740686 685541782 /nfs/dbraw/zinc/54/17/82/685541782.db2.gz LQKMZTQOEPYOOK-UHFFFAOYSA-N 1 2 369.805 2.462 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)cc1Cl ZINC000854730774 682586646 /nfs/dbraw/zinc/58/66/46/682586646.db2.gz QMXODWFNVMYKIG-ZDUSSCGKSA-N 1 2 367.833 2.493 20 5 FEBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCn2c[nH+]cc2C1 ZINC000793518845 682894184 /nfs/dbraw/zinc/89/41/84/682894184.db2.gz XKFRZALXWOPWMX-UHFFFAOYSA-N 1 2 369.150 2.349 20 5 FEBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cccc([N+](=O)[O-])c1Br ZINC000857961768 682927509 /nfs/dbraw/zinc/92/75/09/682927509.db2.gz DXMGKAOQDPNYLI-VIFPVBQESA-N 1 2 365.187 2.299 20 5 FEBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCn2c[nH+]cc21 ZINC000857985901 682930200 /nfs/dbraw/zinc/93/02/00/682930200.db2.gz RIMGXCRYCLCVPI-NSHDSACASA-N 1 2 350.762 2.475 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])s1 ZINC000867198694 684224528 /nfs/dbraw/zinc/22/45/28/684224528.db2.gz OVLVDJBJNGZTQK-LLVKDONJSA-N 1 2 370.456 2.267 20 5 FEBDLO CONC(=O)C1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000877786437 686457724 /nfs/dbraw/zinc/45/77/24/686457724.db2.gz HRBSJILXTSVABC-UHFFFAOYSA-N 1 2 372.219 2.247 20 5 FEBDLO C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000895246117 689683462 /nfs/dbraw/zinc/68/34/62/689683462.db2.gz LMTYKZVICHFYTN-QMTHXVAHSA-N 1 2 357.252 2.404 20 5 FEBDLO C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000895246117 689683466 /nfs/dbraw/zinc/68/34/66/689683466.db2.gz LMTYKZVICHFYTN-QMTHXVAHSA-N 1 2 357.252 2.404 20 5 FEBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000902939944 690822435 /nfs/dbraw/zinc/82/24/35/690822435.db2.gz LLISDMNSHZOMDR-NSHDSACASA-N 1 2 356.810 2.481 20 5 FEBDLO NC(=O)c1ccc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000015143269 539612741 /nfs/dbraw/zinc/61/27/41/539612741.db2.gz CCDYCKQBLFRDOD-KRWDZBQOSA-N 1 2 370.409 2.179 20 5 FEBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)OCCO2 ZINC000023829184 539721738 /nfs/dbraw/zinc/72/17/38/539721738.db2.gz NQTSIFHPVVTMBP-UHFFFAOYSA-N 1 2 357.366 2.437 20 5 FEBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)OCCO2 ZINC000023829184 539721743 /nfs/dbraw/zinc/72/17/43/539721743.db2.gz NQTSIFHPVVTMBP-UHFFFAOYSA-N 1 2 357.366 2.437 20 5 FEBDLO COc1ccc(CNC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000026346526 539785013 /nfs/dbraw/zinc/78/50/13/539785013.db2.gz ARCLUOOUUPGZBN-UHFFFAOYSA-N 1 2 373.409 2.360 20 5 FEBDLO COc1ccc(CNC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000026346526 539785016 /nfs/dbraw/zinc/78/50/16/539785016.db2.gz ARCLUOOUUPGZBN-UHFFFAOYSA-N 1 2 373.409 2.360 20 5 FEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000027768257 539817756 /nfs/dbraw/zinc/81/77/56/539817756.db2.gz RGNOBQREPSGUCE-INIZCTEOSA-N 1 2 360.458 2.286 20 5 FEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC000027768257 539817760 /nfs/dbraw/zinc/81/77/60/539817760.db2.gz RGNOBQREPSGUCE-INIZCTEOSA-N 1 2 360.458 2.286 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000029630406 539859269 /nfs/dbraw/zinc/85/92/69/539859269.db2.gz VFSOPCIIMBRDLP-LJQANCHMSA-N 1 2 371.437 2.152 20 5 FEBDLO O=C(NCc1ccc2c(c1)OCO2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032477260 539941331 /nfs/dbraw/zinc/94/13/31/539941331.db2.gz TWDVQDJIKIWZGU-UHFFFAOYSA-N 1 2 366.333 2.439 20 5 FEBDLO CC(C)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000032935180 539960101 /nfs/dbraw/zinc/96/01/01/539960101.db2.gz ZBHVPEYRHCTAKX-HNNXBMFYSA-N 1 2 355.822 2.335 20 5 FEBDLO CCCNC(=O)C1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000042685495 540073842 /nfs/dbraw/zinc/07/38/42/540073842.db2.gz LFTQPJJIGXEMBE-UHFFFAOYSA-N 1 2 362.430 2.080 20 5 FEBDLO Cc1c(NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cccc1[N+](=O)[O-] ZINC000043347443 540098075 /nfs/dbraw/zinc/09/80/75/540098075.db2.gz OXKSSUCHGLGKDI-UHFFFAOYSA-N 1 2 371.397 2.457 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000045632457 540219042 /nfs/dbraw/zinc/21/90/42/540219042.db2.gz ULQMCSGNKGWCSS-CQSZACIVSA-N 1 2 374.441 2.256 20 5 FEBDLO C[C@H]1CN(c2ccc(CNC(=O)c3ccccc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000046716757 540267752 /nfs/dbraw/zinc/26/77/52/540267752.db2.gz LPNQJRPVUAXIQD-ZDUSSCGKSA-N 1 2 356.382 2.145 20 5 FEBDLO C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000051424217 540433858 /nfs/dbraw/zinc/43/38/58/540433858.db2.gz YBIDJZHHUVSHPJ-OAHLLOKOSA-N 1 2 369.425 2.163 20 5 FEBDLO CCCNC(=O)C[N@H+](CCC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000052246969 540460275 /nfs/dbraw/zinc/46/02/75/540460275.db2.gz GAZMFFXSSSTAGG-UHFFFAOYSA-N 1 2 351.403 2.200 20 5 FEBDLO CCCNC(=O)C[N@@H+](CCC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000052246969 540460279 /nfs/dbraw/zinc/46/02/79/540460279.db2.gz GAZMFFXSSSTAGG-UHFFFAOYSA-N 1 2 351.403 2.200 20 5 FEBDLO CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000052868072 540496313 /nfs/dbraw/zinc/49/63/13/540496313.db2.gz GJOPJSAUNIBWLC-GXTWGEPZSA-N 1 2 364.402 2.132 20 5 FEBDLO CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000052868072 540496315 /nfs/dbraw/zinc/49/63/15/540496315.db2.gz GJOPJSAUNIBWLC-GXTWGEPZSA-N 1 2 364.402 2.132 20 5 FEBDLO O=C(NCCc1ccc(O)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000054116614 540569607 /nfs/dbraw/zinc/56/96/07/540569607.db2.gz QDHSSDRRNBSBGN-UHFFFAOYSA-N 1 2 352.350 2.459 20 5 FEBDLO C[C@@H]1CN(c2ccc(CNC(=O)c3cc(F)ccc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000063541977 541173074 /nfs/dbraw/zinc/17/30/74/541173074.db2.gz BMZORTATVAPQST-GFCCVEGCSA-N 1 2 374.372 2.284 20 5 FEBDLO CC(C)(C)CC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000066001412 541277288 /nfs/dbraw/zinc/27/72/88/541277288.db2.gz PZOQQXKZUZKFPB-UHFFFAOYSA-N 1 2 361.489 2.399 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000067032579 541408338 /nfs/dbraw/zinc/40/83/38/541408338.db2.gz OOERJPNJJDJBHW-UHFFFAOYSA-N 1 2 356.382 2.065 20 5 FEBDLO Nc1nc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2ccccc12 ZINC000072665195 541847091 /nfs/dbraw/zinc/84/70/91/541847091.db2.gz PEXMHCRHAXEXPX-GFCCVEGCSA-N 1 2 365.397 2.202 20 5 FEBDLO Nc1nc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2ccccc12 ZINC000072665195 541847094 /nfs/dbraw/zinc/84/70/94/541847094.db2.gz PEXMHCRHAXEXPX-GFCCVEGCSA-N 1 2 365.397 2.202 20 5 FEBDLO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000073758067 541996393 /nfs/dbraw/zinc/99/63/93/541996393.db2.gz BYTBGVSLTCIQKD-YOEHRIQHSA-N 1 2 362.430 2.162 20 5 FEBDLO CC(C)(CNc1ccc2ncccc2c1[N+](=O)[O-])[NH+]1CCS(=O)CC1 ZINC000077210047 542355220 /nfs/dbraw/zinc/35/52/20/542355220.db2.gz XZHYUEXBTGCYEQ-UHFFFAOYSA-N 1 2 362.455 2.398 20 5 FEBDLO Cc1ccc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000080539730 542593744 /nfs/dbraw/zinc/59/37/44/542593744.db2.gz DYDBJLQHIRLQKG-UHFFFAOYSA-N 1 2 360.458 2.428 20 5 FEBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000080907479 542613774 /nfs/dbraw/zinc/61/37/74/542613774.db2.gz BMWNWQQEKXQQAZ-OAHLLOKOSA-N 1 2 365.455 2.010 20 5 FEBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000088777385 542757185 /nfs/dbraw/zinc/75/71/85/542757185.db2.gz XSQDACJNIAONET-CYBMUJFWSA-N 1 2 350.400 2.027 20 5 FEBDLO CCc1nn(C)c(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1[N+](=O)[O-] ZINC000092827520 542889917 /nfs/dbraw/zinc/88/99/17/542889917.db2.gz FYENICQEJZXYFT-UHFFFAOYSA-N 1 2 373.461 2.439 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)c(Cl)c1 ZINC000101923071 543050316 /nfs/dbraw/zinc/05/03/16/543050316.db2.gz LMJRUCSLENRAEZ-UHFFFAOYSA-N 1 2 370.818 2.471 20 5 FEBDLO CCN(CC)c1ccc(CNC(=O)CCn2cc([N+](=O)[O-])nc2C)c[nH+]1 ZINC000109775643 543338426 /nfs/dbraw/zinc/33/84/26/543338426.db2.gz YQKLGGBALWCVIN-UHFFFAOYSA-N 1 2 360.418 2.047 20 5 FEBDLO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000113640170 543494682 /nfs/dbraw/zinc/49/46/82/543494682.db2.gz CCKDKKMMFZDRIO-UHFFFAOYSA-N 1 2 365.349 2.035 20 5 FEBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000113943627 543498936 /nfs/dbraw/zinc/49/89/36/543498936.db2.gz WWADZGXJLJGMBB-OAHLLOKOSA-N 1 2 367.402 2.315 20 5 FEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000117336087 543629930 /nfs/dbraw/zinc/62/99/30/543629930.db2.gz VYRZPCMSBKHXQI-ZDUSSCGKSA-N 1 2 371.397 2.496 20 5 FEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000117336087 543629933 /nfs/dbraw/zinc/62/99/33/543629933.db2.gz VYRZPCMSBKHXQI-ZDUSSCGKSA-N 1 2 371.397 2.496 20 5 FEBDLO Cn1c[nH+]cc1CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000121332112 543693031 /nfs/dbraw/zinc/69/30/31/543693031.db2.gz QPIJGNCSVABBMZ-UHFFFAOYSA-N 1 2 372.303 2.242 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCCn1cc[nH+]c1 ZINC000132995735 544251661 /nfs/dbraw/zinc/25/16/61/544251661.db2.gz OWZWUGXCCQFPFK-UHFFFAOYSA-N 1 2 367.203 2.303 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CCCn2cc[nH+]c2)cc1C ZINC000134544208 544312483 /nfs/dbraw/zinc/31/24/83/544312483.db2.gz IUEDBPPSJXTMNL-UHFFFAOYSA-N 1 2 352.416 2.119 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135586031 544354895 /nfs/dbraw/zinc/35/48/95/544354895.db2.gz AFKXPKNUUXHILW-HNNXBMFYSA-N 1 2 373.413 2.285 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135586031 544354898 /nfs/dbraw/zinc/35/48/98/544354898.db2.gz AFKXPKNUUXHILW-HNNXBMFYSA-N 1 2 373.413 2.285 20 5 FEBDLO COc1ccccc1[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000137051460 544384007 /nfs/dbraw/zinc/38/40/07/544384007.db2.gz BRJPCVQODUKTEV-AWEZNQCLSA-N 1 2 373.413 2.284 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000152478802 544658176 /nfs/dbraw/zinc/65/81/76/544658176.db2.gz ZYEWMXFENSTOLZ-ZDUSSCGKSA-N 1 2 370.413 2.339 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000152478802 544658180 /nfs/dbraw/zinc/65/81/80/544658180.db2.gz ZYEWMXFENSTOLZ-ZDUSSCGKSA-N 1 2 370.413 2.339 20 5 FEBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000152481774 544659700 /nfs/dbraw/zinc/65/97/00/544659700.db2.gz HCOFCTIKOCNKCN-AWEZNQCLSA-N 1 2 356.382 2.154 20 5 FEBDLO CCOc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000152682803 544683767 /nfs/dbraw/zinc/68/37/67/544683767.db2.gz QACWJULLYXRNMN-AWEZNQCLSA-N 1 2 356.382 2.397 20 5 FEBDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153119647 544736059 /nfs/dbraw/zinc/73/60/59/544736059.db2.gz VEMQKNAMUMXVEX-CYBMUJFWSA-N 1 2 374.441 2.500 20 5 FEBDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153119647 544736063 /nfs/dbraw/zinc/73/60/63/544736063.db2.gz VEMQKNAMUMXVEX-CYBMUJFWSA-N 1 2 374.441 2.500 20 5 FEBDLO O=C(C[NH+]1CCC(OCCCO)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000154928915 544967131 /nfs/dbraw/zinc/96/71/31/544967131.db2.gz NCHGYPMEHJJLJD-UHFFFAOYSA-N 1 2 371.821 2.050 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000181764757 327745230 /nfs/dbraw/zinc/74/52/30/327745230.db2.gz RKMGYFFZWLYAKA-INIZCTEOSA-N 1 2 364.423 2.479 20 5 FEBDLO COC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(C)o1 ZINC000184665174 327877861 /nfs/dbraw/zinc/87/78/61/327877861.db2.gz NWWMPPJLRYWMBK-HNNXBMFYSA-N 1 2 359.382 2.363 20 5 FEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000184762912 327882342 /nfs/dbraw/zinc/88/23/42/327882342.db2.gz AKNMGWNIUFSICL-BFYDXBDKSA-N 1 2 363.458 2.389 20 5 FEBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@H](O)COCc3ccccc3)C2)cc1 ZINC000189462560 328149799 /nfs/dbraw/zinc/14/97/99/328149799.db2.gz ZLQNBGVHGWZKSD-KRWDZBQOSA-N 1 2 358.394 2.236 20 5 FEBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000191172941 328252640 /nfs/dbraw/zinc/25/26/40/328252640.db2.gz ZCHBCJWSEPIJEV-XPKDYRNWSA-N 1 2 372.381 2.418 20 5 FEBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000191172941 328252642 /nfs/dbraw/zinc/25/26/42/328252642.db2.gz ZCHBCJWSEPIJEV-XPKDYRNWSA-N 1 2 372.381 2.418 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000191755304 328280378 /nfs/dbraw/zinc/28/03/78/328280378.db2.gz FWXPCPBIXYESRI-RMKNXTFCSA-N 1 2 369.425 2.282 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)Cn2c3ccccc3[nH+]c2CCCO)c1 ZINC000047283145 324630790 /nfs/dbraw/zinc/63/07/90/324630790.db2.gz DEUFHBPRPPIKPJ-OAHLLOKOSA-N 1 2 371.393 2.309 20 5 FEBDLO O=C(c1cccc(O)c1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000081012072 325153305 /nfs/dbraw/zinc/15/33/05/325153305.db2.gz CITNQIUVHBTXJK-UHFFFAOYSA-N 1 2 355.394 2.301 20 5 FEBDLO O=[N+]([O-])c1ccc2oc(CN3CC[NH+](Cc4ccccn4)CC3)nc2c1 ZINC000083132501 325213302 /nfs/dbraw/zinc/21/33/02/325213302.db2.gz XPGIXRZWIZCHRA-UHFFFAOYSA-N 1 2 353.382 2.449 20 5 FEBDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)CCc2cccc([N+](=O)[O-])c2)no1 ZINC000087241013 325277538 /nfs/dbraw/zinc/27/75/38/325277538.db2.gz MSJYJBLUFWPJBF-UHFFFAOYSA-N 1 2 361.402 2.024 20 5 FEBDLO COc1cc([N+](=O)[O-])c(C(=O)NCCCn2cc[nH+]c2)cc1SC ZINC000103185772 325509430 /nfs/dbraw/zinc/50/94/30/325509430.db2.gz LQUXMTAJNIZJQS-UHFFFAOYSA-N 1 2 350.400 2.342 20 5 FEBDLO Cc1cc(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000114800756 325922476 /nfs/dbraw/zinc/92/24/76/325922476.db2.gz NVYUFHGQPPDHDG-CQSZACIVSA-N 1 2 369.425 2.399 20 5 FEBDLO COC(=O)c1cc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc([N+](=O)[O-])c1 ZINC000116583761 326025729 /nfs/dbraw/zinc/02/57/29/326025729.db2.gz SRWLLNNIQOKADZ-AWEZNQCLSA-N 1 2 358.354 2.472 20 5 FEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119374504 326154994 /nfs/dbraw/zinc/15/49/94/326154994.db2.gz OWFKOHXKMYIOQH-GFCCVEGCSA-N 1 2 373.862 2.248 20 5 FEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119374504 326154997 /nfs/dbraw/zinc/15/49/97/326154997.db2.gz OWFKOHXKMYIOQH-GFCCVEGCSA-N 1 2 373.862 2.248 20 5 FEBDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119489430 326168044 /nfs/dbraw/zinc/16/80/44/326168044.db2.gz WHQWKPGQJKNMOD-NSHDSACASA-N 1 2 361.851 2.150 20 5 FEBDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119489430 326168045 /nfs/dbraw/zinc/16/80/45/326168045.db2.gz WHQWKPGQJKNMOD-NSHDSACASA-N 1 2 361.851 2.150 20 5 FEBDLO Nc1nc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)[nH+]c2ccccc12 ZINC000132397938 326592036 /nfs/dbraw/zinc/59/20/36/326592036.db2.gz HMRFEGJQMQCXEA-UHFFFAOYSA-N 1 2 350.382 2.447 20 5 FEBDLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000172425591 327201212 /nfs/dbraw/zinc/20/12/12/327201212.db2.gz ZIFPTEPXQABZQB-UHFFFAOYSA-N 1 2 369.425 2.130 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1nnc2ccccn21 ZINC000172611824 327211529 /nfs/dbraw/zinc/21/15/29/327211529.db2.gz VHGHFRITKTUILC-GFCCVEGCSA-N 1 2 354.370 2.235 20 5 FEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000172710830 327214969 /nfs/dbraw/zinc/21/49/69/327214969.db2.gz FBXPADNAOOTXRI-LJQANCHMSA-N 1 2 369.421 2.327 20 5 FEBDLO Cc1cc(NC(=O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000174249231 327315347 /nfs/dbraw/zinc/31/53/47/327315347.db2.gz FYXXNDUPNCPTPT-UHFFFAOYSA-N 1 2 360.370 2.373 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174785758 327351026 /nfs/dbraw/zinc/35/10/26/327351026.db2.gz VIBIIAZLMNMNPK-ZBFHGGJFSA-N 1 2 356.444 2.391 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174785758 327351027 /nfs/dbraw/zinc/35/10/27/327351027.db2.gz VIBIIAZLMNMNPK-ZBFHGGJFSA-N 1 2 356.444 2.391 20 5 FEBDLO CC(C)[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000175218319 327380467 /nfs/dbraw/zinc/38/04/67/327380467.db2.gz PEVHPOJKZQWALS-CQSZACIVSA-N 1 2 355.822 2.335 20 5 FEBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1([NH+]2CCOCC2)CCCC1 ZINC000175935087 327422726 /nfs/dbraw/zinc/42/27/26/327422726.db2.gz NVNKUDXATNFCPJ-CYBMUJFWSA-N 1 2 363.414 2.064 20 5 FEBDLO CC[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000176709772 327471348 /nfs/dbraw/zinc/47/13/48/327471348.db2.gz VBNILZFRLIUYMF-IAGOWNOFSA-N 1 2 362.430 2.162 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000176752475 327473466 /nfs/dbraw/zinc/47/34/66/327473466.db2.gz RGDSEBGBOXSQDY-HOCLYGCPSA-N 1 2 362.430 2.080 20 5 FEBDLO C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000247540878 328692723 /nfs/dbraw/zinc/69/27/23/328692723.db2.gz JZQBPXJWOMDHQD-DGCLKSJQSA-N 1 2 368.390 2.202 20 5 FEBDLO COc1ccc(NC(=O)CC[NH2+]C(C)(C)c2noc(C)n2)c([N+](=O)[O-])c1 ZINC000264322612 329010148 /nfs/dbraw/zinc/01/01/48/329010148.db2.gz NRENUJZSYFHEPE-UHFFFAOYSA-N 1 2 363.374 2.148 20 5 FEBDLO CCC[NH+]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000264597891 329039077 /nfs/dbraw/zinc/03/90/77/329039077.db2.gz ARPODAVAXYWVOO-UHFFFAOYSA-N 1 2 363.386 2.123 20 5 FEBDLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264687748 329048589 /nfs/dbraw/zinc/04/85/89/329048589.db2.gz CQNDVYWEJNNNHL-GFCCVEGCSA-N 1 2 366.418 2.378 20 5 FEBDLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264687748 329048590 /nfs/dbraw/zinc/04/85/90/329048590.db2.gz CQNDVYWEJNNNHL-GFCCVEGCSA-N 1 2 366.418 2.378 20 5 FEBDLO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccco2)CC1 ZINC000266583448 329238700 /nfs/dbraw/zinc/23/87/00/329238700.db2.gz PWTKYAGFTWSCIA-UHFFFAOYSA-N 1 2 358.398 2.258 20 5 FEBDLO CC(=O)N1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000268657119 329443126 /nfs/dbraw/zinc/44/31/26/329443126.db2.gz HRRLIXUJSGMZLJ-CYBMUJFWSA-N 1 2 355.398 2.417 20 5 FEBDLO COc1ccc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000269983577 329565955 /nfs/dbraw/zinc/56/59/55/329565955.db2.gz QEBGXYSTARDYIG-AWEZNQCLSA-N 1 2 371.397 2.077 20 5 FEBDLO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000272424243 329780144 /nfs/dbraw/zinc/78/01/44/329780144.db2.gz FKIUBINTRPQRLF-CQSZACIVSA-N 1 2 364.427 2.070 20 5 FEBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000272489158 329785291 /nfs/dbraw/zinc/78/52/91/329785291.db2.gz DNAKEQHHBRTLBT-GXTWGEPZSA-N 1 2 358.320 2.321 20 5 FEBDLO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2nnc(C)s2)c([N+](=O)[O-])c1 ZINC000273572621 329875688 /nfs/dbraw/zinc/87/56/88/329875688.db2.gz GHHYUSRJCUMGOC-VIFPVBQESA-N 1 2 365.415 2.443 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000276373379 330146048 /nfs/dbraw/zinc/14/60/48/330146048.db2.gz XKIILCIQEPBQCN-UHFFFAOYSA-N 1 2 350.400 2.036 20 5 FEBDLO Cn1ccnc1[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000371459946 330244532 /nfs/dbraw/zinc/24/45/32/330244532.db2.gz QDGVUGYYYNHWDX-OAHLLOKOSA-N 1 2 366.381 2.491 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(O)(C(F)F)CC3)n2)cc1 ZINC000426244169 330271502 /nfs/dbraw/zinc/27/15/02/330271502.db2.gz GYHRSDKLUCZEQV-UHFFFAOYSA-N 1 2 354.313 2.237 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])cc1OC(F)F ZINC000804809079 674301803 /nfs/dbraw/zinc/30/18/03/674301803.db2.gz NLHOHWXGWLXNNA-WCQYABFASA-N 1 2 357.357 2.496 20 5 FEBDLO C[N@@H+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000155484815 545532381 /nfs/dbraw/zinc/53/23/81/545532381.db2.gz WOKIYTMRCKAXRH-UHFFFAOYSA-N 1 2 371.434 2.373 20 5 FEBDLO C[N@H+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000155484815 545532384 /nfs/dbraw/zinc/53/23/84/545532384.db2.gz WOKIYTMRCKAXRH-UHFFFAOYSA-N 1 2 371.434 2.373 20 5 FEBDLO Cc1nc(C2CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)no1 ZINC000156891547 545673493 /nfs/dbraw/zinc/67/34/93/545673493.db2.gz LUUQEOZJIWMGSP-UHFFFAOYSA-N 1 2 359.386 2.413 20 5 FEBDLO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000157582263 545757479 /nfs/dbraw/zinc/75/74/79/545757479.db2.gz IEPMTAAAYQSBBN-AWEZNQCLSA-N 1 2 350.396 2.474 20 5 FEBDLO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000157582263 545757485 /nfs/dbraw/zinc/75/74/85/545757485.db2.gz IEPMTAAAYQSBBN-AWEZNQCLSA-N 1 2 350.396 2.474 20 5 FEBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)[C@@H]2C1 ZINC000158291868 545845003 /nfs/dbraw/zinc/84/50/03/545845003.db2.gz KSZYMJNNHBQSLC-OAGGEKHMSA-N 1 2 374.397 2.413 20 5 FEBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)[C@@H]2C1 ZINC000158291868 545845005 /nfs/dbraw/zinc/84/50/05/545845005.db2.gz KSZYMJNNHBQSLC-OAGGEKHMSA-N 1 2 374.397 2.413 20 5 FEBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3n[nH]cc3[N+](=O)[O-])n2)C1 ZINC000159423089 545951835 /nfs/dbraw/zinc/95/18/35/545951835.db2.gz UDKLEDUOQVITCE-SECBINFHSA-N 1 2 350.404 2.259 20 5 FEBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3n[nH]cc3[N+](=O)[O-])n2)C1 ZINC000159423089 545951838 /nfs/dbraw/zinc/95/18/38/545951838.db2.gz UDKLEDUOQVITCE-SECBINFHSA-N 1 2 350.404 2.259 20 5 FEBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000159767247 545978805 /nfs/dbraw/zinc/97/88/05/545978805.db2.gz YRXWYGGOMQBYSO-INIZCTEOSA-N 1 2 363.801 2.483 20 5 FEBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000159767247 545978811 /nfs/dbraw/zinc/97/88/11/545978811.db2.gz YRXWYGGOMQBYSO-INIZCTEOSA-N 1 2 363.801 2.483 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161163962 546105886 /nfs/dbraw/zinc/10/58/86/546105886.db2.gz OSFAWCGTLBGCGA-UHFFFAOYSA-N 1 2 369.425 2.055 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000478907438 561177700 /nfs/dbraw/zinc/17/77/00/561177700.db2.gz CROPXRBRYRVWNF-CQSZACIVSA-N 1 2 371.397 2.212 20 5 FEBDLO Cc1c(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000176407771 546440953 /nfs/dbraw/zinc/44/09/53/546440953.db2.gz BRBDKJMFCMTKQZ-SNVBAGLBSA-N 1 2 361.358 2.382 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CCC2CC2)CC1 ZINC000480500627 561210572 /nfs/dbraw/zinc/21/05/72/561210572.db2.gz LUQQCRDJTZSEME-UHFFFAOYSA-N 1 2 353.444 2.010 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000182472823 547499150 /nfs/dbraw/zinc/49/91/50/547499150.db2.gz HSMCAPJDWXURBG-ROUUACIJSA-N 1 2 372.421 2.278 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000182472823 547499157 /nfs/dbraw/zinc/49/91/57/547499157.db2.gz HSMCAPJDWXURBG-ROUUACIJSA-N 1 2 372.421 2.278 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC000183244842 547625510 /nfs/dbraw/zinc/62/55/10/547625510.db2.gz NZRLHLINBDAVNX-UHFFFAOYSA-N 1 2 360.458 2.033 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000183244842 547625514 /nfs/dbraw/zinc/62/55/14/547625514.db2.gz NZRLHLINBDAVNX-UHFFFAOYSA-N 1 2 360.458 2.033 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000183389219 547649105 /nfs/dbraw/zinc/64/91/05/547649105.db2.gz WBWSULDELDEQEU-MRXNPFEDSA-N 1 2 360.458 2.032 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000183389219 547649108 /nfs/dbraw/zinc/64/91/08/547649108.db2.gz WBWSULDELDEQEU-MRXNPFEDSA-N 1 2 360.458 2.032 20 5 FEBDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184244930 547794112 /nfs/dbraw/zinc/79/41/12/547794112.db2.gz WPFMFMCKGSTLLI-GFCCVEGCSA-N 1 2 355.366 2.453 20 5 FEBDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184244930 547794116 /nfs/dbraw/zinc/79/41/16/547794116.db2.gz WPFMFMCKGSTLLI-GFCCVEGCSA-N 1 2 355.366 2.453 20 5 FEBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000184435717 547826520 /nfs/dbraw/zinc/82/65/20/547826520.db2.gz LHRYAZSMTMZQMC-UHFFFAOYSA-N 1 2 370.413 2.277 20 5 FEBDLO O=C(C[NH2+][C@@H](CCO)c1ccco1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000185076101 547928296 /nfs/dbraw/zinc/92/82/96/547928296.db2.gz MHQCLNXPPWQEIG-LBPRGKRZSA-N 1 2 353.762 2.493 20 5 FEBDLO CCOc1ccc(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1[N+](=O)[O-] ZINC000185420769 547983161 /nfs/dbraw/zinc/98/31/61/547983161.db2.gz XSARANJQXXUEQN-UHFFFAOYSA-N 1 2 371.397 2.054 20 5 FEBDLO Cn1c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000485718575 561326474 /nfs/dbraw/zinc/32/64/74/561326474.db2.gz DHBJTWCRRWRRBR-BBRMVZONSA-N 1 2 364.352 2.387 20 5 FEBDLO Cn1c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000485718575 561326475 /nfs/dbraw/zinc/32/64/75/561326475.db2.gz DHBJTWCRRWRRBR-BBRMVZONSA-N 1 2 364.352 2.387 20 5 FEBDLO COc1cc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000186509255 548145814 /nfs/dbraw/zinc/14/58/14/548145814.db2.gz IPAGHNLYUINZJL-UHFFFAOYSA-N 1 2 356.382 2.351 20 5 FEBDLO CNc1[nH+]cnc2c1cnn2Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000194430575 548480069 /nfs/dbraw/zinc/48/00/69/548480069.db2.gz QSKXJKOLGRXTBT-UHFFFAOYSA-N 1 2 351.326 2.480 20 5 FEBDLO CN1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c2ccc[nH+]c21 ZINC000487099778 561363685 /nfs/dbraw/zinc/36/36/85/561363685.db2.gz MWTYPIZQUZXDLO-UHFFFAOYSA-N 1 2 368.802 2.288 20 5 FEBDLO O=[N+]([O-])c1cnc2ccccc2c1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000488097780 561383421 /nfs/dbraw/zinc/38/34/21/561383421.db2.gz AOZBWVGGIXQGEV-SFHVURJKSA-N 1 2 374.466 2.185 20 5 FEBDLO Cc1noc([C@H]2CCC[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)n1 ZINC000246001849 549034829 /nfs/dbraw/zinc/03/48/29/549034829.db2.gz DZQQNANRAZLJPU-BBRMVZONSA-N 1 2 371.397 2.271 20 5 FEBDLO Cc1noc([C@H]2CCC[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)n1 ZINC000246001849 549034830 /nfs/dbraw/zinc/03/48/30/549034830.db2.gz DZQQNANRAZLJPU-BBRMVZONSA-N 1 2 371.397 2.271 20 5 FEBDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246197958 549075108 /nfs/dbraw/zinc/07/51/08/549075108.db2.gz VHAYFGCWPRRSEJ-FMKPAKJESA-N 1 2 361.446 2.171 20 5 FEBDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246197958 549075110 /nfs/dbraw/zinc/07/51/10/549075110.db2.gz VHAYFGCWPRRSEJ-FMKPAKJESA-N 1 2 361.446 2.171 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000246358180 549113491 /nfs/dbraw/zinc/11/34/91/549113491.db2.gz MUNUFKJPWSQCOW-HZMBPMFUSA-N 1 2 361.320 2.229 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@](O)(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000246358180 549113495 /nfs/dbraw/zinc/11/34/95/549113495.db2.gz MUNUFKJPWSQCOW-HZMBPMFUSA-N 1 2 361.320 2.229 20 5 FEBDLO COCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCO[C@@H]1C ZINC000488844185 561398034 /nfs/dbraw/zinc/39/80/34/561398034.db2.gz NRDVYTTZEHUXCD-HIFRSBDPSA-N 1 2 374.397 2.047 20 5 FEBDLO C[N@@H+]1CC[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000247816515 549384466 /nfs/dbraw/zinc/38/44/66/549384466.db2.gz WUUBUKJNOCODHP-SMDDNHRTSA-N 1 2 367.768 2.286 20 5 FEBDLO C[N@H+]1CC[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000247816515 549384468 /nfs/dbraw/zinc/38/44/68/549384468.db2.gz WUUBUKJNOCODHP-SMDDNHRTSA-N 1 2 367.768 2.286 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000248947173 549529128 /nfs/dbraw/zinc/52/91/28/549529128.db2.gz ASWCWMFAWGYTPL-AWEZNQCLSA-N 1 2 353.444 2.070 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000248947173 549529131 /nfs/dbraw/zinc/52/91/31/549529131.db2.gz ASWCWMFAWGYTPL-AWEZNQCLSA-N 1 2 353.444 2.070 20 5 FEBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3[nH]nc(C)c3[N+](=O)[O-])CC2)c1 ZINC000264135006 549983176 /nfs/dbraw/zinc/98/31/76/549983176.db2.gz NISBSAKUCXXFPR-ZDUSSCGKSA-N 1 2 373.413 2.154 20 5 FEBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])CC2)c1 ZINC000264135006 549983179 /nfs/dbraw/zinc/98/31/79/549983179.db2.gz NISBSAKUCXXFPR-ZDUSSCGKSA-N 1 2 373.413 2.154 20 5 FEBDLO Cc1nnc([C@H]2CCC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)[nH]1 ZINC000268482957 550074232 /nfs/dbraw/zinc/07/42/32/550074232.db2.gz OKBGBURGYSVXRO-ZDUSSCGKSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)[nH]1 ZINC000268482957 550074234 /nfs/dbraw/zinc/07/42/34/550074234.db2.gz OKBGBURGYSVXRO-ZDUSSCGKSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)n1 ZINC000268482957 550074236 /nfs/dbraw/zinc/07/42/36/550074236.db2.gz OKBGBURGYSVXRO-ZDUSSCGKSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)n1 ZINC000268482957 550074238 /nfs/dbraw/zinc/07/42/38/550074238.db2.gz OKBGBURGYSVXRO-ZDUSSCGKSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1nc([C@H]2CCC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)n[nH]1 ZINC000268482957 550074240 /nfs/dbraw/zinc/07/42/40/550074240.db2.gz OKBGBURGYSVXRO-ZDUSSCGKSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1nc([C@H]2CCC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)n[nH]1 ZINC000268482957 550074241 /nfs/dbraw/zinc/07/42/41/550074241.db2.gz OKBGBURGYSVXRO-ZDUSSCGKSA-N 1 2 369.385 2.451 20 5 FEBDLO CC(C)(C)[N@H+](CCS(C)(=O)=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000269292285 550177382 /nfs/dbraw/zinc/17/73/82/550177382.db2.gz VAMXFJAEGLUNPQ-UHFFFAOYSA-N 1 2 372.443 2.106 20 5 FEBDLO CC(C)(C)[N@@H+](CCS(C)(=O)=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000269292285 550177386 /nfs/dbraw/zinc/17/73/86/550177386.db2.gz VAMXFJAEGLUNPQ-UHFFFAOYSA-N 1 2 372.443 2.106 20 5 FEBDLO O=C(C[N@H+]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)N1CCCC1 ZINC000269652141 550214052 /nfs/dbraw/zinc/21/40/52/550214052.db2.gz QVPQWDNPCXTPEF-UHFFFAOYSA-N 1 2 368.384 2.008 20 5 FEBDLO O=C(C[N@@H+]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)N1CCCC1 ZINC000269652141 550214055 /nfs/dbraw/zinc/21/40/55/550214055.db2.gz QVPQWDNPCXTPEF-UHFFFAOYSA-N 1 2 368.384 2.008 20 5 FEBDLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000270862906 550314688 /nfs/dbraw/zinc/31/46/88/550314688.db2.gz LWWRBEYDKIAZGG-GWCFXTLKSA-N 1 2 372.303 2.212 20 5 FEBDLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494176780 561463928 /nfs/dbraw/zinc/46/39/28/561463928.db2.gz RRSDBAVTYPXJPT-LLVKDONJSA-N 1 2 361.851 2.152 20 5 FEBDLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494176780 561463929 /nfs/dbraw/zinc/46/39/29/561463929.db2.gz RRSDBAVTYPXJPT-LLVKDONJSA-N 1 2 361.851 2.152 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000279535427 550900607 /nfs/dbraw/zinc/90/06/07/550900607.db2.gz QLOMNHDQEQAZJV-KGLIPLIRSA-N 1 2 350.419 2.018 20 5 FEBDLO C[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@]2(CCOC2)O1 ZINC000280242367 550974035 /nfs/dbraw/zinc/97/40/35/550974035.db2.gz AZTPPVDQLCJBNK-SJCJKPOMSA-N 1 2 360.370 2.025 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@]2(CCOC2)O1 ZINC000280242367 550974036 /nfs/dbraw/zinc/97/40/36/550974036.db2.gz AZTPPVDQLCJBNK-SJCJKPOMSA-N 1 2 360.370 2.025 20 5 FEBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2[nH]ncc2[N+](=O)[O-])c(C)c1 ZINC000495999074 561491771 /nfs/dbraw/zinc/49/17/71/561491771.db2.gz HLFFUNFRPHLLCV-CQSZACIVSA-N 1 2 354.370 2.303 20 5 FEBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2n[nH]cc2[N+](=O)[O-])c(C)c1 ZINC000495999074 561491772 /nfs/dbraw/zinc/49/17/72/561491772.db2.gz HLFFUNFRPHLLCV-CQSZACIVSA-N 1 2 354.370 2.303 20 5 FEBDLO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282205923 551194927 /nfs/dbraw/zinc/19/49/27/551194927.db2.gz GEAFOEXNBDMDCR-CQSZACIVSA-N 1 2 372.429 2.120 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)O1 ZINC000282526607 551241659 /nfs/dbraw/zinc/24/16/59/551241659.db2.gz UNZMAGXBLIKIPF-KCXZSRPNSA-N 1 2 352.362 2.417 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)O1 ZINC000282526607 551241661 /nfs/dbraw/zinc/24/16/61/551241661.db2.gz UNZMAGXBLIKIPF-KCXZSRPNSA-N 1 2 352.362 2.417 20 5 FEBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOc3ccc(Br)cc3C2)n1 ZINC000282915042 551284831 /nfs/dbraw/zinc/28/48/31/551284831.db2.gz XYOREWPYQOUJBZ-UHFFFAOYSA-N 1 2 367.203 2.448 20 5 FEBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCOc3ccc(Br)cc3C2)n1 ZINC000282915042 551284833 /nfs/dbraw/zinc/28/48/33/551284833.db2.gz XYOREWPYQOUJBZ-UHFFFAOYSA-N 1 2 367.203 2.448 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000497949759 561512053 /nfs/dbraw/zinc/51/20/53/561512053.db2.gz KYLXNPWDGAIILA-CHWSQXEVSA-N 1 2 355.460 2.260 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000497949759 561512054 /nfs/dbraw/zinc/51/20/54/561512054.db2.gz KYLXNPWDGAIILA-CHWSQXEVSA-N 1 2 355.460 2.260 20 5 FEBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000284708236 551613620 /nfs/dbraw/zinc/61/36/20/551613620.db2.gz ZLTZIXOFXLLAHH-KBPBESRZSA-N 1 2 373.331 2.159 20 5 FEBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000284708236 551613622 /nfs/dbraw/zinc/61/36/22/551613622.db2.gz ZLTZIXOFXLLAHH-KBPBESRZSA-N 1 2 373.331 2.159 20 5 FEBDLO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1nncn1C ZINC000285461883 551759954 /nfs/dbraw/zinc/75/99/54/551759954.db2.gz UCYQFLSGTXQDLE-CQSZACIVSA-N 1 2 366.809 2.302 20 5 FEBDLO CNS(=O)(=O)c1ccc(N[C@@H](c2[nH]cc[nH+]2)C(C)C)c([N+](=O)[O-])c1 ZINC000285725005 551801474 /nfs/dbraw/zinc/80/14/74/551801474.db2.gz SKWIHLBHSUNTBA-CYBMUJFWSA-N 1 2 353.404 2.035 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000285882555 551823057 /nfs/dbraw/zinc/82/30/57/551823057.db2.gz QVDWQMNFOAMTLY-IUODEOHRSA-N 1 2 359.382 2.276 20 5 FEBDLO COC(=O)c1cnoc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000286539662 551897771 /nfs/dbraw/zinc/89/77/71/551897771.db2.gz UFLRQWIFRLLDOC-UHFFFAOYSA-N 1 2 361.354 2.413 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000287495983 552011751 /nfs/dbraw/zinc/01/17/51/552011751.db2.gz UJEUCTKZDWHCMX-WMLDXEAASA-N 1 2 361.442 2.194 20 5 FEBDLO Cc1nc([C@H](C)[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)no1 ZINC000289316659 552300454 /nfs/dbraw/zinc/30/04/54/552300454.db2.gz DGJGKEZANKAVIP-NSHDSACASA-N 1 2 371.401 2.436 20 5 FEBDLO Cc1nc([C@H](C)[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)no1 ZINC000289316659 552300456 /nfs/dbraw/zinc/30/04/56/552300456.db2.gz DGJGKEZANKAVIP-NSHDSACASA-N 1 2 371.401 2.436 20 5 FEBDLO O=[N+]([O-])c1cc(I)ccc1N1CCn2c[nH+]cc2C1 ZINC000290669474 552516779 /nfs/dbraw/zinc/51/67/79/552516779.db2.gz KIVWIXRCYGBHOD-UHFFFAOYSA-N 1 2 370.150 2.416 20 5 FEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000291182458 552597180 /nfs/dbraw/zinc/59/71/80/552597180.db2.gz CCZAFBIWQHQPBQ-CXAGYDPISA-N 1 2 374.441 2.104 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291869202 552670145 /nfs/dbraw/zinc/67/01/45/552670145.db2.gz PRMZWRMHKQIPKM-OCCSQVGLSA-N 1 2 359.386 2.074 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291869202 552670147 /nfs/dbraw/zinc/67/01/47/552670147.db2.gz PRMZWRMHKQIPKM-OCCSQVGLSA-N 1 2 359.386 2.074 20 5 FEBDLO Cc1cc(=O)n2nc(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])sc2n1 ZINC000292070841 552690339 /nfs/dbraw/zinc/69/03/39/552690339.db2.gz DOMBHUORTZOCEN-UHFFFAOYSA-N 1 2 359.411 2.393 20 5 FEBDLO C[C@H]([C@H](C)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000292216921 552705483 /nfs/dbraw/zinc/70/54/83/552705483.db2.gz HTZYOQNCEQWBHJ-UONOGXRCSA-N 1 2 364.446 2.238 20 5 FEBDLO COc1cc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])cc1F ZINC000294485902 552909777 /nfs/dbraw/zinc/90/97/77/552909777.db2.gz RDCLNOKVZWBKCH-UHFFFAOYSA-N 1 2 374.372 2.096 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295600849 553031654 /nfs/dbraw/zinc/03/16/54/553031654.db2.gz NBOHUYROZSKDLK-OLZOCXBDSA-N 1 2 364.402 2.084 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295600849 553031656 /nfs/dbraw/zinc/03/16/56/553031656.db2.gz NBOHUYROZSKDLK-OLZOCXBDSA-N 1 2 364.402 2.084 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297792405 553339330 /nfs/dbraw/zinc/33/93/30/553339330.db2.gz XMKICWQGZXETKR-KGLIPLIRSA-N 1 2 350.419 2.018 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000298800188 553474797 /nfs/dbraw/zinc/47/47/97/553474797.db2.gz NNJFDOIHZUTORP-VHSXEESVSA-N 1 2 355.778 2.070 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000298800188 553474798 /nfs/dbraw/zinc/47/47/98/553474798.db2.gz NNJFDOIHZUTORP-VHSXEESVSA-N 1 2 355.778 2.070 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000298875415 553483759 /nfs/dbraw/zinc/48/37/59/553483759.db2.gz POYFHWSDKMTLGU-UHFFFAOYSA-N 1 2 374.397 2.224 20 5 FEBDLO CCOC(=O)c1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc([N+](=O)[O-])c1 ZINC000299580114 553584058 /nfs/dbraw/zinc/58/40/58/553584058.db2.gz VBJDTUCELZZFEB-UHFFFAOYSA-N 1 2 372.381 2.445 20 5 FEBDLO Cn1c(CCCNc2ncc([N+](=O)[O-])cc2C(N)=O)[nH+]c2ccccc21 ZINC000301545574 553659536 /nfs/dbraw/zinc/65/95/36/553659536.db2.gz PFWMRBZOFOYRHK-UHFFFAOYSA-N 1 2 354.370 2.020 20 5 FEBDLO CC(C)Cn1cc[nH+]c1CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301887174 553688326 /nfs/dbraw/zinc/68/83/26/553688326.db2.gz MQHOXTHVHLSEBJ-UHFFFAOYSA-N 1 2 352.416 2.463 20 5 FEBDLO C[NH+](C)[C@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1ccco1 ZINC000301924593 553692410 /nfs/dbraw/zinc/69/24/10/553692410.db2.gz YLRXBUUVYLDICP-GFCCVEGCSA-N 1 2 353.400 2.306 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C3CCCC3)C2)s1 ZINC000301938987 553693164 /nfs/dbraw/zinc/69/31/64/553693164.db2.gz SNZZPLFOJHXPTC-JTQLQIEISA-N 1 2 359.473 2.489 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C3CCCC3)C2)s1 ZINC000301938987 553693166 /nfs/dbraw/zinc/69/31/66/553693166.db2.gz SNZZPLFOJHXPTC-JTQLQIEISA-N 1 2 359.473 2.489 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000302115139 553704933 /nfs/dbraw/zinc/70/49/33/553704933.db2.gz VWKMCDZQTFSTBX-UHFFFAOYSA-N 1 2 356.382 2.099 20 5 FEBDLO COC(=O)c1cnc(N2CC[NH+](Cc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000302788117 553733265 /nfs/dbraw/zinc/73/32/65/553733265.db2.gz XGGIIAPPUPGVGH-UHFFFAOYSA-N 1 2 362.411 2.160 20 5 FEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000330553488 554137269 /nfs/dbraw/zinc/13/72/69/554137269.db2.gz OCNLWHBGIJVDRE-GHMZBOCLSA-N 1 2 361.851 2.351 20 5 FEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000330553488 554137270 /nfs/dbraw/zinc/13/72/70/554137270.db2.gz OCNLWHBGIJVDRE-GHMZBOCLSA-N 1 2 361.851 2.351 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000332427580 554444922 /nfs/dbraw/zinc/44/49/22/554444922.db2.gz CULYTISLPKCXLF-UHFFFAOYSA-N 1 2 350.400 2.195 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000510461769 561835254 /nfs/dbraw/zinc/83/52/54/561835254.db2.gz QPZJDVLQIIZJDD-OAHLLOKOSA-N 1 2 364.427 2.320 20 5 FEBDLO CC(C)OC(=O)C[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000511413973 561868408 /nfs/dbraw/zinc/86/84/08/561868408.db2.gz JINGJPZEEWMZJC-OAHLLOKOSA-N 1 2 374.397 2.381 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1C ZINC000361789563 554934952 /nfs/dbraw/zinc/93/49/52/554934952.db2.gz PTCHMKRCYONSOO-ZDUSSCGKSA-N 1 2 364.427 2.123 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000363199927 555052128 /nfs/dbraw/zinc/05/21/28/555052128.db2.gz BAZMAXXJRSBGQU-ZFWWWQNUSA-N 1 2 373.413 2.464 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000363199927 555052129 /nfs/dbraw/zinc/05/21/29/555052129.db2.gz BAZMAXXJRSBGQU-ZFWWWQNUSA-N 1 2 373.413 2.464 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000363199926 555052131 /nfs/dbraw/zinc/05/21/31/555052131.db2.gz BAZMAXXJRSBGQU-UKRRQHHQSA-N 1 2 373.413 2.464 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000363199926 555052132 /nfs/dbraw/zinc/05/21/32/555052132.db2.gz BAZMAXXJRSBGQU-UKRRQHHQSA-N 1 2 373.413 2.464 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000364433545 555313316 /nfs/dbraw/zinc/31/33/16/555313316.db2.gz HCZPBKWGVXBEGQ-HNNXBMFYSA-N 1 2 363.414 2.433 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000364433545 555313317 /nfs/dbraw/zinc/31/33/17/555313317.db2.gz HCZPBKWGVXBEGQ-HNNXBMFYSA-N 1 2 363.414 2.433 20 5 FEBDLO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000364675935 555371186 /nfs/dbraw/zinc/37/11/86/555371186.db2.gz VNWJDHLRDAETFT-YJBOKZPZSA-N 1 2 370.409 2.460 20 5 FEBDLO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000364675935 555371188 /nfs/dbraw/zinc/37/11/88/555371188.db2.gz VNWJDHLRDAETFT-YJBOKZPZSA-N 1 2 370.409 2.460 20 5 FEBDLO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000364873235 555421814 /nfs/dbraw/zinc/42/18/14/555421814.db2.gz PIAVQODMIOIXEU-NSHDSACASA-N 1 2 358.383 2.101 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000365190633 555506177 /nfs/dbraw/zinc/50/61/77/555506177.db2.gz IAMOBMJFEKVBLB-ZDUSSCGKSA-N 1 2 356.382 2.397 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)C2 ZINC000365593577 555617432 /nfs/dbraw/zinc/61/74/32/555617432.db2.gz WOXXRSMNAZMFSS-CYBMUJFWSA-N 1 2 364.427 2.010 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000365674666 555637553 /nfs/dbraw/zinc/63/75/53/555637553.db2.gz IPGNMBRKWRFHKL-SUMWQHHRSA-N 1 2 356.382 2.470 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000365674666 555637554 /nfs/dbraw/zinc/63/75/54/555637554.db2.gz IPGNMBRKWRFHKL-SUMWQHHRSA-N 1 2 356.382 2.470 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000365829799 555677551 /nfs/dbraw/zinc/67/75/51/555677551.db2.gz CIVLPAOPBLZQTM-QWHCGFSZSA-N 1 2 359.386 2.074 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000365829799 555677554 /nfs/dbraw/zinc/67/75/54/555677554.db2.gz CIVLPAOPBLZQTM-QWHCGFSZSA-N 1 2 359.386 2.074 20 5 FEBDLO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000367556390 556081743 /nfs/dbraw/zinc/08/17/43/556081743.db2.gz YAAMSRRIMVKBFA-GUYCJALGSA-N 1 2 370.409 2.336 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000367556390 556081744 /nfs/dbraw/zinc/08/17/44/556081744.db2.gz YAAMSRRIMVKBFA-GUYCJALGSA-N 1 2 370.409 2.336 20 5 FEBDLO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1S(N)(=O)=O ZINC000514828061 561981603 /nfs/dbraw/zinc/98/16/03/561981603.db2.gz GXUVFKXIWTUKDT-TWGQIWQCSA-N 1 2 361.423 2.387 20 5 FEBDLO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1S(N)(=O)=O ZINC000514828061 561981604 /nfs/dbraw/zinc/98/16/04/561981604.db2.gz GXUVFKXIWTUKDT-TWGQIWQCSA-N 1 2 361.423 2.387 20 5 FEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000368148821 556230568 /nfs/dbraw/zinc/23/05/68/556230568.db2.gz PWLDECQXOBQLNB-WMZOPIPTSA-N 1 2 361.442 2.097 20 5 FEBDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000368363327 556288211 /nfs/dbraw/zinc/28/82/11/556288211.db2.gz RQUMDTFQTCGFMQ-QGZVFWFLSA-N 1 2 374.441 2.132 20 5 FEBDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000368363327 556288212 /nfs/dbraw/zinc/28/82/12/556288212.db2.gz RQUMDTFQTCGFMQ-QGZVFWFLSA-N 1 2 374.441 2.132 20 5 FEBDLO CCOc1cc(N2CC[NH+](Cc3ccc(OC)nn3)CC2)ccc1[N+](=O)[O-] ZINC000515436327 562010493 /nfs/dbraw/zinc/01/04/93/562010493.db2.gz OYJSPYBZAUBBCA-UHFFFAOYSA-N 1 2 373.413 2.114 20 5 FEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368971450 556463123 /nfs/dbraw/zinc/46/31/23/556463123.db2.gz BQCLLCQRWCEHHX-RCBQFDQVSA-N 1 2 356.382 2.336 20 5 FEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368971450 556463126 /nfs/dbraw/zinc/46/31/26/556463126.db2.gz BQCLLCQRWCEHHX-RCBQFDQVSA-N 1 2 356.382 2.336 20 5 FEBDLO CC(C)Cn1ccnc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000516563278 562048262 /nfs/dbraw/zinc/04/82/62/562048262.db2.gz BDXBRPPWJKYBCZ-UHFFFAOYSA-N 1 2 366.443 2.011 20 5 FEBDLO O=[N+]([O-])c1cc2c(nc1Nc1cnn(CC[NH+]3CCOCC3)c1)CCCC2 ZINC000516967276 562068073 /nfs/dbraw/zinc/06/80/73/562068073.db2.gz HFQQKPZYOIAGJR-UHFFFAOYSA-N 1 2 372.429 2.141 20 5 FEBDLO CC(C)(C)c1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000370781522 556966759 /nfs/dbraw/zinc/96/67/59/556966759.db2.gz ZITFFTXHBSDCSF-OAHLLOKOSA-N 1 2 361.442 2.439 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)C2 ZINC000372549899 557500459 /nfs/dbraw/zinc/50/04/59/557500459.db2.gz HUERISSYQPJTCG-GFCCVEGCSA-N 1 2 373.369 2.370 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](Oc2ccc(Cl)cn2)C1 ZINC000372726170 557548137 /nfs/dbraw/zinc/54/81/37/557548137.db2.gz JJVQWQUSORQXTQ-LBPRGKRZSA-N 1 2 351.794 2.420 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](Oc2ccc(Cl)cn2)C1 ZINC000372726170 557548140 /nfs/dbraw/zinc/54/81/40/557548140.db2.gz JJVQWQUSORQXTQ-LBPRGKRZSA-N 1 2 351.794 2.420 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372995575 557606135 /nfs/dbraw/zinc/60/61/35/557606135.db2.gz JLLIUQQCXHHCOR-UHFFFAOYSA-N 1 2 373.413 2.207 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NC2CC([NH+]3CCCCC3)C2)s1 ZINC000373682519 557738112 /nfs/dbraw/zinc/73/81/12/557738112.db2.gz PBCVLVAPMCFOFT-UHFFFAOYSA-N 1 2 359.473 2.489 20 5 FEBDLO CC[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@]2(CCOC2)O1 ZINC000373808912 557763964 /nfs/dbraw/zinc/76/39/64/557763964.db2.gz CTSADRGMZUCXIF-YJBOKZPZSA-N 1 2 374.397 2.415 20 5 FEBDLO CC[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@]2(CCOC2)O1 ZINC000373808912 557763965 /nfs/dbraw/zinc/76/39/65/557763965.db2.gz CTSADRGMZUCXIF-YJBOKZPZSA-N 1 2 374.397 2.415 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H](c2ccncn2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000373935511 557791041 /nfs/dbraw/zinc/79/10/41/557791041.db2.gz SXOHZIOAZAVJCA-OAHLLOKOSA-N 1 2 367.409 2.154 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H](c2ccncn2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000373935511 557791045 /nfs/dbraw/zinc/79/10/45/557791045.db2.gz SXOHZIOAZAVJCA-OAHLLOKOSA-N 1 2 367.409 2.154 20 5 FEBDLO CN1CCC([NH+]2CCC(CCNc3ncc([N+](=O)[O-])s3)CC2)CC1 ZINC000375581132 558052253 /nfs/dbraw/zinc/05/22/53/558052253.db2.gz GMJZSCVHUWPVSW-UHFFFAOYSA-N 1 2 353.492 2.660 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000376425347 558171346 /nfs/dbraw/zinc/17/13/46/558171346.db2.gz CKYIBRLLADWBKA-SECBINFHSA-N 1 2 358.324 2.450 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000376425347 558171347 /nfs/dbraw/zinc/17/13/47/558171347.db2.gz CKYIBRLLADWBKA-SECBINFHSA-N 1 2 358.324 2.450 20 5 FEBDLO Cc1nn(C)c(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)c1[N+](=O)[O-] ZINC000377446560 558342506 /nfs/dbraw/zinc/34/25/06/558342506.db2.gz YFCJEJQPFOYHMT-ZDUSSCGKSA-N 1 2 372.360 2.029 20 5 FEBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000525205977 562242949 /nfs/dbraw/zinc/24/29/49/562242949.db2.gz OGWMIYWYNOPARW-UHFFFAOYSA-N 1 2 353.382 2.450 20 5 FEBDLO Cc1cc(C)c(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)c(C)[nH+]1 ZINC000411442732 558895889 /nfs/dbraw/zinc/89/58/89/558895889.db2.gz ANCVSBOVWUCLOC-UHFFFAOYSA-N 1 2 356.382 2.478 20 5 FEBDLO Cc1cc(C)c(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c[nH+]1 ZINC000411586726 558923812 /nfs/dbraw/zinc/92/38/12/558923812.db2.gz JAHWXIMLUWEBDY-UHFFFAOYSA-N 1 2 356.382 2.478 20 5 FEBDLO C[C@H](O)[C@@H]1CCN(c2cc(N(C)Cc3ccccc3[N+](=O)[O-])nc[nH+]2)C1 ZINC000413052348 559073117 /nfs/dbraw/zinc/07/31/17/559073117.db2.gz MCRMXGGFAFRANS-UONOGXRCSA-N 1 2 357.414 2.228 20 5 FEBDLO C[C@H](O)[C@@H]1CCN(c2cc(N(C)Cc3ccccc3[N+](=O)[O-])[nH+]cn2)C1 ZINC000413052348 559073119 /nfs/dbraw/zinc/07/31/19/559073119.db2.gz MCRMXGGFAFRANS-UONOGXRCSA-N 1 2 357.414 2.228 20 5 FEBDLO CC(C)NS(=O)(=O)[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413210403 559088869 /nfs/dbraw/zinc/08/88/69/559088869.db2.gz WAHAJUQQRHVJPM-AWEZNQCLSA-N 1 2 364.427 2.050 20 5 FEBDLO Cc1ccc([C@@H](C)NC(=O)NC(C)(C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000413359460 559101905 /nfs/dbraw/zinc/10/19/05/559101905.db2.gz MDOZAMANXOHSIH-CQSZACIVSA-N 1 2 364.446 2.374 20 5 FEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413955298 559143053 /nfs/dbraw/zinc/14/30/53/559143053.db2.gz KABSMYVKVUNSBO-INIZCTEOSA-N 1 2 363.458 2.391 20 5 FEBDLO Cc1cc(S(=O)(=O)N(C)CCCn2cc[nH+]c2)c(C)cc1[N+](=O)[O-] ZINC000416432962 559312540 /nfs/dbraw/zinc/31/25/40/559312540.db2.gz MWSAFLXMSYDGDL-UHFFFAOYSA-N 1 2 352.416 2.119 20 5 FEBDLO Cc1cc(CNC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cc(C)[nH+]1 ZINC000420836845 559507175 /nfs/dbraw/zinc/50/71/75/559507175.db2.gz BDNQDXOEUSYCMF-UHFFFAOYSA-N 1 2 370.413 2.033 20 5 FEBDLO Cc1cc(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc(C)[nH+]1 ZINC000421247212 559533405 /nfs/dbraw/zinc/53/34/05/559533405.db2.gz IORDRIZZSHWLDY-UHFFFAOYSA-N 1 2 356.382 2.478 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000421419715 559541975 /nfs/dbraw/zinc/54/19/75/559541975.db2.gz LBWMSJWLZPRVJE-UHFFFAOYSA-N 1 2 370.409 2.373 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](n4ccnn4)C3)o2)cc1 ZINC000425499496 559705873 /nfs/dbraw/zinc/70/58/73/559705873.db2.gz JFICAQNOYZJTMG-AWEZNQCLSA-N 1 2 355.358 2.073 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](n4ccnn4)C3)o2)cc1 ZINC000425499496 559705874 /nfs/dbraw/zinc/70/58/74/559705874.db2.gz JFICAQNOYZJTMG-AWEZNQCLSA-N 1 2 355.358 2.073 20 5 FEBDLO CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000425922526 559725320 /nfs/dbraw/zinc/72/53/20/559725320.db2.gz RJBNZBRGMSRUHT-CQSZACIVSA-N 1 2 372.219 2.143 20 5 FEBDLO CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000425922526 559725321 /nfs/dbraw/zinc/72/53/21/559725321.db2.gz RJBNZBRGMSRUHT-CQSZACIVSA-N 1 2 372.219 2.143 20 5 FEBDLO CC[C@@H]1C[N@H+](CCNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000426037079 559728192 /nfs/dbraw/zinc/72/81/92/559728192.db2.gz QVQWIEZLLNRVQG-GDBMZVCRSA-N 1 2 364.446 2.374 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000426037079 559728193 /nfs/dbraw/zinc/72/81/93/559728193.db2.gz QVQWIEZLLNRVQG-GDBMZVCRSA-N 1 2 364.446 2.374 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000426873059 559743419 /nfs/dbraw/zinc/74/34/19/559743419.db2.gz ZMZQCPBIXYOCSO-OAHLLOKOSA-N 1 2 365.430 2.080 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2nc(C)cc(C)n2)CC1 ZINC000430202612 559815229 /nfs/dbraw/zinc/81/52/29/559815229.db2.gz GPPJBVORRPHINK-UHFFFAOYSA-N 1 2 357.414 2.332 20 5 FEBDLO CCOC(=O)C[N@@H+]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432330708 559856516 /nfs/dbraw/zinc/85/65/16/559856516.db2.gz DXPXGIFHFHEMCF-UHFFFAOYSA-N 1 2 358.398 2.218 20 5 FEBDLO CCOC(=O)C[N@H+]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432330708 559856517 /nfs/dbraw/zinc/85/65/17/559856517.db2.gz DXPXGIFHFHEMCF-UHFFFAOYSA-N 1 2 358.398 2.218 20 5 FEBDLO CC1(C[NH+]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000432925594 559868014 /nfs/dbraw/zinc/86/80/14/559868014.db2.gz SLUVSRZPTQCAMB-UHFFFAOYSA-N 1 2 353.444 2.091 20 5 FEBDLO O=C(NCC1([NH+]2CCOCC2)CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000434462447 559900952 /nfs/dbraw/zinc/90/09/52/559900952.db2.gz FSNREWRTOHJTFX-UHFFFAOYSA-N 1 2 374.441 2.134 20 5 FEBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H]1Cc1ccccc1 ZINC000436733779 559950487 /nfs/dbraw/zinc/95/04/87/559950487.db2.gz ZAIQSEWEHKNZMC-INIZCTEOSA-N 1 2 355.394 2.299 20 5 FEBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H]1Cc1ccccc1 ZINC000436733779 559950488 /nfs/dbraw/zinc/95/04/88/559950488.db2.gz ZAIQSEWEHKNZMC-INIZCTEOSA-N 1 2 355.394 2.299 20 5 FEBDLO CCOC(=O)CN(CC(C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448807600 560200437 /nfs/dbraw/zinc/20/04/37/560200437.db2.gz AUCBBGGTDAUZIY-UHFFFAOYSA-N 1 2 374.397 2.442 20 5 FEBDLO COC(=O)[C@@H](C)CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000448873082 560204002 /nfs/dbraw/zinc/20/40/02/560204002.db2.gz JUWSIRNATLUGKG-LBPRGKRZSA-N 1 2 372.381 2.194 20 5 FEBDLO O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450136126 560251811 /nfs/dbraw/zinc/25/18/11/560251811.db2.gz ZPYVXAWKCYNRNV-CKEIUWERSA-N 1 2 356.382 2.468 20 5 FEBDLO CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ncon1 ZINC000451439247 560307169 /nfs/dbraw/zinc/30/71/69/560307169.db2.gz VVWIVMMFXUOOCD-AWEZNQCLSA-N 1 2 356.342 2.291 20 5 FEBDLO COCCO[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451492481 560310271 /nfs/dbraw/zinc/31/02/71/560310271.db2.gz IQWVFTLEZNXNDY-OAHLLOKOSA-N 1 2 374.397 2.048 20 5 FEBDLO CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1nncn1C ZINC000451663471 560320640 /nfs/dbraw/zinc/32/06/40/560320640.db2.gz MLTAGCNURIAYIS-HNNXBMFYSA-N 1 2 369.385 2.036 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000451936332 560339205 /nfs/dbraw/zinc/33/92/05/560339205.db2.gz FGILCVHOKIEAAT-MFKMUULPSA-N 1 2 350.400 2.338 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1C ZINC000451945209 560339858 /nfs/dbraw/zinc/33/98/58/560339858.db2.gz HXNCWXUHDLCGIK-NWDGAFQWSA-N 1 2 350.400 2.392 20 5 FEBDLO CCC[C@@H](C)C(=O)NCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452135211 560353550 /nfs/dbraw/zinc/35/35/50/560353550.db2.gz POFROJWRLUDRNM-CYBMUJFWSA-N 1 2 373.413 2.063 20 5 FEBDLO O=C(N[C@@H]([C@H](CO)C1CC1)C1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452974659 560379599 /nfs/dbraw/zinc/37/95/99/560379599.db2.gz ZXSMPMFKOHTBJU-CRAIPNDOSA-N 1 2 370.409 2.307 20 5 FEBDLO CNc1nc(C(=O)N2CC[NH+](Cc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000454331632 560440369 /nfs/dbraw/zinc/44/03/69/560440369.db2.gz YAFJXKBYRLPDFT-UHFFFAOYSA-N 1 2 361.427 2.051 20 5 FEBDLO CCOC(=O)c1cc(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cc([N+](=O)[O-])c1 ZINC000456401039 560519275 /nfs/dbraw/zinc/51/92/75/560519275.db2.gz VNTUTPVEOGQTHN-HZMBPMFUSA-N 1 2 358.354 2.404 20 5 FEBDLO COC(=O)c1ccc([C@@H](C)[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)o1 ZINC000459490227 560689540 /nfs/dbraw/zinc/68/95/40/560689540.db2.gz BGLKDNGWTSCWLW-GFCCVEGCSA-N 1 2 360.370 2.253 20 5 FEBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCn2c[nH+]cc2C1 ZINC000461190912 560763144 /nfs/dbraw/zinc/76/31/44/560763144.db2.gz HOCWTTBZNGUQOX-JTQLQIEISA-N 1 2 350.762 2.254 20 5 FEBDLO Cc1cc[nH+]cc1N1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000467759203 560916548 /nfs/dbraw/zinc/91/65/48/560916548.db2.gz RVMXKUVMFMOJHZ-UHFFFAOYSA-N 1 2 355.398 2.059 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000469062254 560946155 /nfs/dbraw/zinc/94/61/55/560946155.db2.gz ZFMFXLFXXSCEQU-CHWSQXEVSA-N 1 2 353.394 2.017 20 5 FEBDLO COc1cc(OCC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000469438751 560955405 /nfs/dbraw/zinc/95/54/05/560955405.db2.gz OFALWNYLXFGAGG-HNNXBMFYSA-N 1 2 373.365 2.057 20 5 FEBDLO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469576804 560958916 /nfs/dbraw/zinc/95/89/16/560958916.db2.gz PZCMXYRGKWCEQQ-UHFFFAOYSA-N 1 2 371.393 2.063 20 5 FEBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000469938924 560969415 /nfs/dbraw/zinc/96/94/15/560969415.db2.gz NBVCJSWZIHFQGS-UHFFFAOYSA-N 1 2 362.434 2.224 20 5 FEBDLO CCN1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000471063894 560997414 /nfs/dbraw/zinc/99/74/14/560997414.db2.gz WLARNIFGZZDGHX-XJKSGUPXSA-N 1 2 372.429 2.024 20 5 FEBDLO CCN1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000474232681 561068889 /nfs/dbraw/zinc/06/88/89/561068889.db2.gz PUJGTAQISGOHOY-CJNGLKHVSA-N 1 2 372.429 2.467 20 5 FEBDLO COc1c(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)cccc1[N+](=O)[O-] ZINC000476229106 561113788 /nfs/dbraw/zinc/11/37/88/561113788.db2.gz JRKWFAKCBXKTGN-UHFFFAOYSA-N 1 2 371.393 2.267 20 5 FEBDLO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000476649647 561125371 /nfs/dbraw/zinc/12/53/71/561125371.db2.gz UZTZNMBIMAETTR-UHFFFAOYSA-N 1 2 364.365 2.496 20 5 FEBDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476658327 561125477 /nfs/dbraw/zinc/12/54/77/561125477.db2.gz KGIXMDCWHJXNBY-CYBMUJFWSA-N 1 2 368.397 2.291 20 5 FEBDLO Cc1cc(NCCCNC(=O)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000534494633 562535234 /nfs/dbraw/zinc/53/52/34/562535234.db2.gz YGTKOHKLAMTWDZ-UHFFFAOYSA-N 1 2 357.414 2.356 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000535312120 562555691 /nfs/dbraw/zinc/55/56/91/562555691.db2.gz CDWWTBPWKLVHGL-OLZOCXBDSA-N 1 2 373.413 2.153 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000535312120 562555692 /nfs/dbraw/zinc/55/56/92/562555692.db2.gz CDWWTBPWKLVHGL-OLZOCXBDSA-N 1 2 373.413 2.153 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535312120 562555693 /nfs/dbraw/zinc/55/56/93/562555693.db2.gz CDWWTBPWKLVHGL-OLZOCXBDSA-N 1 2 373.413 2.153 20 5 FEBDLO Cc1cnccc1CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000568756888 568181730 /nfs/dbraw/zinc/18/17/30/568181730.db2.gz WDUPBWPGCFQWFZ-UHFFFAOYSA-N 1 2 354.410 2.299 20 5 FEBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1ccc(-c3nn[nH]n3)cc1[N+](=O)[O-])C2 ZINC000735942036 598375453 /nfs/dbraw/zinc/37/54/53/598375453.db2.gz BDOHOCFRRBYSDS-UHFFFAOYSA-N 1 2 368.401 2.195 20 5 FEBDLO C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000737515497 600498398 /nfs/dbraw/zinc/49/83/98/600498398.db2.gz WPEJEDOWQPSANJ-UYWPIULCSA-N 1 2 374.441 2.273 20 5 FEBDLO C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000737515497 600498399 /nfs/dbraw/zinc/49/83/99/600498399.db2.gz WPEJEDOWQPSANJ-UYWPIULCSA-N 1 2 374.441 2.273 20 5 FEBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NCC[NH+]1CCCCC1 ZINC000814988972 674893338 /nfs/dbraw/zinc/89/33/38/674893338.db2.gz ACGDWLJRQZDXAS-UHFFFAOYSA-N 1 2 365.814 2.152 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000066871573 670448871 /nfs/dbraw/zinc/44/88/71/670448871.db2.gz WJUHVEBSMGTHAF-UHFFFAOYSA-N 1 2 364.408 2.321 20 5 FEBDLO C[C@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[NH+]1CCSCC1 ZINC000133344094 672109571 /nfs/dbraw/zinc/10/95/71/672109571.db2.gz YZVBNGSAVWLAHJ-LLVKDONJSA-N 1 2 361.427 2.361 20 5 FEBDLO C[N@H+](CCOC(C)(C)C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000610859687 676001698 /nfs/dbraw/zinc/00/16/98/676001698.db2.gz HOXNYIOIRRIJPG-UHFFFAOYSA-N 1 2 353.375 2.009 20 5 FEBDLO C[N@@H+](CCOC(C)(C)C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000610859687 676001701 /nfs/dbraw/zinc/00/17/01/676001701.db2.gz HOXNYIOIRRIJPG-UHFFFAOYSA-N 1 2 353.375 2.009 20 5 FEBDLO CCC[N@H+](Cn1nccc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000170904306 672326868 /nfs/dbraw/zinc/32/68/68/672326868.db2.gz WHYMHTAEEJHUDH-ZDUSSCGKSA-N 1 2 353.423 2.470 20 5 FEBDLO CCC[N@@H+](Cn1nccc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000170904306 672326871 /nfs/dbraw/zinc/32/68/71/672326871.db2.gz WHYMHTAEEJHUDH-ZDUSSCGKSA-N 1 2 353.423 2.470 20 5 FEBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000192681261 672698175 /nfs/dbraw/zinc/69/81/75/672698175.db2.gz MJFJBYKLKGVASV-HNNXBMFYSA-N 1 2 365.411 2.303 20 5 FEBDLO COc1ccc(Cl)c(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000593038202 672866686 /nfs/dbraw/zinc/86/66/86/672866686.db2.gz XDHIQPKUWXJSBA-UHFFFAOYSA-N 1 2 365.821 2.276 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000728591416 673205210 /nfs/dbraw/zinc/20/52/10/673205210.db2.gz ZKWNABKKBLNNEL-LBPRGKRZSA-N 1 2 370.818 2.471 20 5 FEBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](CCCC2CCC2)CC1 ZINC000595287563 673216821 /nfs/dbraw/zinc/21/68/21/673216821.db2.gz JXOPDLITVSNKTI-UHFFFAOYSA-N 1 2 367.471 2.481 20 5 FEBDLO CCN(CC)C(=O)C[N@@H+]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596072689 673356123 /nfs/dbraw/zinc/35/61/23/673356123.db2.gz FQRJZNKGLKLILO-UHFFFAOYSA-N 1 2 369.853 2.024 20 5 FEBDLO CCN(CC)C(=O)C[N@H+]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596072689 673356126 /nfs/dbraw/zinc/35/61/26/673356126.db2.gz FQRJZNKGLKLILO-UHFFFAOYSA-N 1 2 369.853 2.024 20 5 FEBDLO Cn1c[nH+]cc1CS(=O)(=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000536304577 673367040 /nfs/dbraw/zinc/36/70/40/673367040.db2.gz DJWJJPMEUYMQJJ-UHFFFAOYSA-N 1 2 362.367 2.098 20 5 FEBDLO CO[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000733237762 673404712 /nfs/dbraw/zinc/40/47/12/673404712.db2.gz RGHHQMOQZZJTSR-GFCCVEGCSA-N 1 2 358.276 2.088 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598617243 673590954 /nfs/dbraw/zinc/59/09/54/673590954.db2.gz RFKGVTFMLJQRMX-CQSZACIVSA-N 1 2 355.460 2.172 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598617243 673590955 /nfs/dbraw/zinc/59/09/55/673590955.db2.gz RFKGVTFMLJQRMX-CQSZACIVSA-N 1 2 355.460 2.172 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000544146748 673694309 /nfs/dbraw/zinc/69/43/09/673694309.db2.gz UEWJMWZRDPCTKD-QGZVFWFLSA-N 1 2 368.455 2.261 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000544146748 673694311 /nfs/dbraw/zinc/69/43/11/673694311.db2.gz UEWJMWZRDPCTKD-QGZVFWFLSA-N 1 2 368.455 2.261 20 5 FEBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599930815 673728595 /nfs/dbraw/zinc/72/85/95/673728595.db2.gz TVJKVOOMIJSGIW-VIFPVBQESA-N 1 2 365.187 2.299 20 5 FEBDLO C[C@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000601187142 673831613 /nfs/dbraw/zinc/83/16/13/673831613.db2.gz OZEQDHYHPOLGHL-BBBLOLIVSA-N 1 2 365.356 2.257 20 5 FEBDLO C[C@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000601187142 673831616 /nfs/dbraw/zinc/83/16/16/673831616.db2.gz OZEQDHYHPOLGHL-BBBLOLIVSA-N 1 2 365.356 2.257 20 5 FEBDLO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000822528720 675490498 /nfs/dbraw/zinc/49/04/98/675490498.db2.gz IUJQHAQFHIENLD-SECBINFHSA-N 1 2 365.777 2.222 20 5 FEBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000828933433 675853390 /nfs/dbraw/zinc/85/33/90/675853390.db2.gz MSOSMKTVCLIITQ-GFCCVEGCSA-N 1 2 353.444 2.157 20 5 FEBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000828933433 675853394 /nfs/dbraw/zinc/85/33/94/675853394.db2.gz MSOSMKTVCLIITQ-GFCCVEGCSA-N 1 2 353.444 2.157 20 5 FEBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1Br ZINC000760874682 680704054 /nfs/dbraw/zinc/70/40/54/680704054.db2.gz XSUMLCZOPZJLKR-SECBINFHSA-N 1 2 365.187 2.299 20 5 FEBDLO C[C@@H]1CC[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000840051949 680795317 /nfs/dbraw/zinc/79/53/17/680795317.db2.gz APKPEQZWVDHLPV-MLGOLLRUSA-N 1 2 351.428 2.317 20 5 FEBDLO C[C@@H]1CC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000840051949 680795319 /nfs/dbraw/zinc/79/53/19/680795319.db2.gz APKPEQZWVDHLPV-MLGOLLRUSA-N 1 2 351.428 2.317 20 5 FEBDLO COCCSCCOC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835465647 680336015 /nfs/dbraw/zinc/33/60/15/680336015.db2.gz SWUARGQTQZJUHT-UHFFFAOYSA-N 1 2 351.384 2.317 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCOCC2(C)C)cc1Cl ZINC000836613445 680489942 /nfs/dbraw/zinc/48/99/42/680489942.db2.gz MWMBLQATNSPUTH-UHFFFAOYSA-N 1 2 355.822 2.397 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCOCC2(C)C)cc1Cl ZINC000836613445 680489946 /nfs/dbraw/zinc/48/99/46/680489946.db2.gz MWMBLQATNSPUTH-UHFFFAOYSA-N 1 2 355.822 2.397 20 5 FEBDLO O=C(NC1CC[NH+](Cc2c(F)cccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002783347 680507928 /nfs/dbraw/zinc/50/79/28/680507928.db2.gz RGFCRXLFCJHZBR-IAQYHMDHSA-N 1 2 355.797 2.225 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1Cl ZINC000836759390 680508865 /nfs/dbraw/zinc/50/88/65/680508865.db2.gz NETNPTJHNHHBCP-GFCCVEGCSA-N 1 2 353.806 2.103 20 5 FEBDLO COCC1(O)CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000758374478 680573326 /nfs/dbraw/zinc/57/33/26/680573326.db2.gz IZLAYLQTNUUQFB-UHFFFAOYSA-N 1 2 353.400 2.303 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000768562566 680950606 /nfs/dbraw/zinc/95/06/06/680950606.db2.gz OOADVSNNZLHCSA-WDEREUQCSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000768562566 680950607 /nfs/dbraw/zinc/95/06/07/680950607.db2.gz OOADVSNNZLHCSA-WDEREUQCSA-N 1 2 361.851 2.270 20 5 FEBDLO O=[N+]([O-])c1nn(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1Br ZINC000842616421 680954745 /nfs/dbraw/zinc/95/47/45/680954745.db2.gz ORKHBVBJSUELDT-ZYHUDNBSSA-N 1 2 359.224 2.402 20 5 FEBDLO O=[N+]([O-])c1nn(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1Br ZINC000842616421 680954748 /nfs/dbraw/zinc/95/47/48/680954748.db2.gz ORKHBVBJSUELDT-ZYHUDNBSSA-N 1 2 359.224 2.402 20 5 FEBDLO C[C@@H]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000768846994 680961137 /nfs/dbraw/zinc/96/11/37/680961137.db2.gz ANEOZQHBGXCOGE-ZYHUDNBSSA-N 1 2 356.429 2.125 20 5 FEBDLO Cc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)n(-c2cc[nH+]cc2)n1 ZINC000768863679 680962271 /nfs/dbraw/zinc/96/22/71/680962271.db2.gz XCOBXQKGMILPEK-UHFFFAOYSA-N 1 2 365.396 2.346 20 5 FEBDLO CCOCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000932486005 681254247 /nfs/dbraw/zinc/25/42/47/681254247.db2.gz KUIAQQQYOPMPQN-UHFFFAOYSA-N 1 2 353.444 2.111 20 5 FEBDLO C[C@@H](NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000917015179 685529098 /nfs/dbraw/zinc/52/90/98/685529098.db2.gz FKCHGUQYWRXQEX-BFHYXJOUSA-N 1 2 350.419 2.064 20 5 FEBDLO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000917476292 685532496 /nfs/dbraw/zinc/53/24/96/685532496.db2.gz DDWZYXXTXLMNET-NSHDSACASA-N 1 2 364.793 2.148 20 5 FEBDLO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000917476292 685532497 /nfs/dbraw/zinc/53/24/97/685532497.db2.gz DDWZYXXTXLMNET-NSHDSACASA-N 1 2 364.793 2.148 20 5 FEBDLO COC(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000852569567 682300952 /nfs/dbraw/zinc/30/09/52/682300952.db2.gz AVFXVZBZACJMNB-JTQLQIEISA-N 1 2 372.809 2.205 20 5 FEBDLO COC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000852569567 682300955 /nfs/dbraw/zinc/30/09/55/682300955.db2.gz AVFXVZBZACJMNB-JTQLQIEISA-N 1 2 372.809 2.205 20 5 FEBDLO C[C@H]1C[N@H+](CCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)CO1 ZINC000853848247 682478411 /nfs/dbraw/zinc/47/84/11/682478411.db2.gz SNOIFIXHPOWBCG-RYUDHWBXSA-N 1 2 370.837 2.157 20 5 FEBDLO C[C@H]1C[N@@H+](CCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)CO1 ZINC000853848247 682478414 /nfs/dbraw/zinc/47/84/14/682478414.db2.gz SNOIFIXHPOWBCG-RYUDHWBXSA-N 1 2 370.837 2.157 20 5 FEBDLO O=C1N[C@H]2CC[N@@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=S)C[C@@H]2CO1 ZINC000799143622 683426725 /nfs/dbraw/zinc/42/67/25/683426725.db2.gz QEQSZHRLPHTFTO-KOLCDFICSA-N 1 2 364.383 2.260 20 5 FEBDLO O=C1N[C@H]2CC[N@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=S)C[C@@H]2CO1 ZINC000799143622 683426730 /nfs/dbraw/zinc/42/67/30/683426730.db2.gz QEQSZHRLPHTFTO-KOLCDFICSA-N 1 2 364.383 2.260 20 5 FEBDLO C[N@H+](CC(F)F)C1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000866150094 684076895 /nfs/dbraw/zinc/07/68/95/684076895.db2.gz IWBGHDIXYYKCIH-UHFFFAOYSA-N 1 2 359.348 2.464 20 5 FEBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000866150094 684076898 /nfs/dbraw/zinc/07/68/98/684076898.db2.gz IWBGHDIXYYKCIH-UHFFFAOYSA-N 1 2 359.348 2.464 20 5 FEBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000875116544 685734766 /nfs/dbraw/zinc/73/47/66/685734766.db2.gz HTDRUYWRASOUNL-UKRRQHHQSA-N 1 2 350.419 2.066 20 5 FEBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000875116544 685734769 /nfs/dbraw/zinc/73/47/69/685734769.db2.gz HTDRUYWRASOUNL-UKRRQHHQSA-N 1 2 350.419 2.066 20 5 FEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000878255191 686552711 /nfs/dbraw/zinc/55/27/11/686552711.db2.gz DOMIAUOGILBHLT-LBPRGKRZSA-N 1 2 353.423 2.041 20 5 FEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000878255191 686552717 /nfs/dbraw/zinc/55/27/17/686552717.db2.gz DOMIAUOGILBHLT-LBPRGKRZSA-N 1 2 353.423 2.041 20 5 FEBDLO C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016565563 539633252 /nfs/dbraw/zinc/63/32/52/539633252.db2.gz URVIWPNYADTKPH-JKSUJKDBSA-N 1 2 360.458 2.412 20 5 FEBDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000022312159 539694282 /nfs/dbraw/zinc/69/42/82/539694282.db2.gz USDAJGKTFQDAMD-KRWDZBQOSA-N 1 2 372.425 2.045 20 5 FEBDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)oc1C ZINC000026483565 539787245 /nfs/dbraw/zinc/78/72/45/539787245.db2.gz IGDPVUFKJJCHJN-UHFFFAOYSA-N 1 2 360.370 2.000 20 5 FEBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000031183041 539900242 /nfs/dbraw/zinc/90/02/42/539900242.db2.gz JEFTWKZLSVDRSS-ZDUSSCGKSA-N 1 2 357.366 2.305 20 5 FEBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000031183041 539900246 /nfs/dbraw/zinc/90/02/46/539900246.db2.gz JEFTWKZLSVDRSS-ZDUSSCGKSA-N 1 2 357.366 2.305 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[NH+]2CCN(c3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000042287863 540057956 /nfs/dbraw/zinc/05/79/56/540057956.db2.gz NLUHEDOLYKXJKB-OAHLLOKOSA-N 1 2 369.425 2.447 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1C ZINC000045816050 540229875 /nfs/dbraw/zinc/22/98/75/540229875.db2.gz SPRONHIDFXIAKS-CQSZACIVSA-N 1 2 353.444 2.070 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1C ZINC000045816050 540229878 /nfs/dbraw/zinc/22/98/78/540229878.db2.gz SPRONHIDFXIAKS-CQSZACIVSA-N 1 2 353.444 2.070 20 5 FEBDLO COCc1ccc(CNC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000052589610 540476748 /nfs/dbraw/zinc/47/67/48/540476748.db2.gz MZOQFMWCVVESCS-UHFFFAOYSA-N 1 2 357.410 2.489 20 5 FEBDLO COCc1ccc(CNC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000052589610 540476751 /nfs/dbraw/zinc/47/67/51/540476751.db2.gz MZOQFMWCVVESCS-UHFFFAOYSA-N 1 2 357.410 2.489 20 5 FEBDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)cc1 ZINC000053718695 540551201 /nfs/dbraw/zinc/55/12/01/540551201.db2.gz GTNWQQZDZFTKNX-UHFFFAOYSA-N 1 2 358.398 2.280 20 5 FEBDLO O=C(NC1CC1)c1ccc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000054358150 540585318 /nfs/dbraw/zinc/58/53/18/540585318.db2.gz QLOGXKDBFVDWBX-UHFFFAOYSA-N 1 2 367.409 2.209 20 5 FEBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000055963293 540690704 /nfs/dbraw/zinc/69/07/04/540690704.db2.gz KLIOICOVICOZAA-GFCCVEGCSA-N 1 2 373.818 2.422 20 5 FEBDLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000057621933 540804332 /nfs/dbraw/zinc/80/43/32/540804332.db2.gz UIVQINVBIKPBHP-UHFFFAOYSA-N 1 2 370.409 2.347 20 5 FEBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000550702865 674105859 /nfs/dbraw/zinc/10/58/59/674105859.db2.gz HKTDOSXSISOIJS-UHFFFAOYSA-N 1 2 353.176 2.361 20 5 FEBDLO CCCc1n[nH]c(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000069212064 541667531 /nfs/dbraw/zinc/66/75/31/541667531.db2.gz RPCJNHOVRCEQLU-UHFFFAOYSA-N 1 2 368.397 2.445 20 5 FEBDLO CCCc1n[nH]c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000069519551 541693304 /nfs/dbraw/zinc/69/33/04/541693304.db2.gz BVBPTRWENAUEQY-UHFFFAOYSA-N 1 2 358.402 2.196 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)Cc1ccccc1 ZINC000070927046 541752550 /nfs/dbraw/zinc/75/25/50/541752550.db2.gz DOSVMALERXSATK-UHFFFAOYSA-N 1 2 359.382 2.036 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)Cc1ccccc1 ZINC000070927046 541752555 /nfs/dbraw/zinc/75/25/55/541752555.db2.gz DOSVMALERXSATK-UHFFFAOYSA-N 1 2 359.382 2.036 20 5 FEBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000076667826 542309372 /nfs/dbraw/zinc/30/93/72/542309372.db2.gz SZYSGJWBIUVRBH-AWEZNQCLSA-N 1 2 351.428 2.010 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000076881664 542328193 /nfs/dbraw/zinc/32/81/93/542328193.db2.gz CQZSIJFUKFVANT-HNNXBMFYSA-N 1 2 372.425 2.286 20 5 FEBDLO CC(C)(C)OC(=O)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000077359401 542372442 /nfs/dbraw/zinc/37/24/42/542372442.db2.gz MCVNZKRGOZEHGP-UHFFFAOYSA-N 1 2 363.414 2.084 20 5 FEBDLO Cc1cc(N2CCC[C@H](CC(N)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000080683270 542601752 /nfs/dbraw/zinc/60/17/52/542601752.db2.gz ZKTVIDNONNGWPF-CYBMUJFWSA-N 1 2 355.398 2.452 20 5 FEBDLO O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000081702852 542672990 /nfs/dbraw/zinc/67/29/90/542672990.db2.gz KIEQQEOFWCBRDF-ROUUACIJSA-N 1 2 364.361 2.169 20 5 FEBDLO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000093298027 542924629 /nfs/dbraw/zinc/92/46/29/542924629.db2.gz ANYNVPVOILZWNX-CYBMUJFWSA-N 1 2 363.414 2.445 20 5 FEBDLO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000093298027 542924632 /nfs/dbraw/zinc/92/46/32/542924632.db2.gz ANYNVPVOILZWNX-CYBMUJFWSA-N 1 2 363.414 2.445 20 5 FEBDLO O=C(c1ccccc1)c1ccc(N2CC[NH+](CCCO)CC2)c([N+](=O)[O-])c1 ZINC000060332607 136132398 /nfs/dbraw/zinc/13/23/98/136132398.db2.gz SGYCOBUOQYUAHT-UHFFFAOYSA-N 1 2 369.421 2.330 20 5 FEBDLO C[C@@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](C)[NH+]1CCOCC1 ZINC000105159676 543162538 /nfs/dbraw/zinc/16/25/38/543162538.db2.gz LLELEKGDFAELIM-HZSPNIEDSA-N 1 2 350.419 2.064 20 5 FEBDLO COc1cc(C[N@H+](C)[C@@H]2CCCCNC2=O)c([N+](=O)[O-])cc1OC(F)F ZINC000105614072 543178133 /nfs/dbraw/zinc/17/81/33/543178133.db2.gz FAMKLOCMHZWVFQ-LLVKDONJSA-N 1 2 373.356 2.305 20 5 FEBDLO COc1cc(C[N@@H+](C)[C@@H]2CCCCNC2=O)c([N+](=O)[O-])cc1OC(F)F ZINC000105614072 543178135 /nfs/dbraw/zinc/17/81/35/543178135.db2.gz FAMKLOCMHZWVFQ-LLVKDONJSA-N 1 2 373.356 2.305 20 5 FEBDLO CCN1CC[NH+]([C@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)CC1 ZINC000106938521 543257194 /nfs/dbraw/zinc/25/71/94/543257194.db2.gz QLWYTEHOHISSCA-HNNXBMFYSA-N 1 2 361.446 2.147 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000109189207 543317451 /nfs/dbraw/zinc/31/74/51/543317451.db2.gz HZVDRGGHZCPGEQ-QGZVFWFLSA-N 1 2 368.397 2.129 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111295046 543393915 /nfs/dbraw/zinc/39/39/15/543393915.db2.gz NNBOUQWQLSZKJX-CJNGLKHVSA-N 1 2 360.414 2.009 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111295046 543393918 /nfs/dbraw/zinc/39/39/18/543393918.db2.gz NNBOUQWQLSZKJX-CJNGLKHVSA-N 1 2 360.414 2.009 20 5 FEBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCN1CCCC1=O ZINC000112995539 543471487 /nfs/dbraw/zinc/47/14/87/543471487.db2.gz OFXYDUFQXKAFMA-LBPRGKRZSA-N 1 2 359.386 2.260 20 5 FEBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCN1CCCC1=O ZINC000112995539 543471489 /nfs/dbraw/zinc/47/14/89/543471489.db2.gz OFXYDUFQXKAFMA-LBPRGKRZSA-N 1 2 359.386 2.260 20 5 FEBDLO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1c(F)cccc1F ZINC000115715737 543583374 /nfs/dbraw/zinc/58/33/74/543583374.db2.gz WSGSTVOWXYOOAC-CYBMUJFWSA-N 1 2 366.324 2.006 20 5 FEBDLO Cc1sc(S(=O)(=O)NCCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000122954795 543733532 /nfs/dbraw/zinc/73/35/32/543733532.db2.gz UUNKVPTXXFTNMF-UHFFFAOYSA-N 1 2 366.424 2.133 20 5 FEBDLO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000125772639 543900630 /nfs/dbraw/zinc/90/06/30/543900630.db2.gz YPUTXXBVWXKJHO-XHDPSFHLSA-N 1 2 359.342 2.423 20 5 FEBDLO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000131823727 544208072 /nfs/dbraw/zinc/20/80/72/544208072.db2.gz PRCUDRVUISRAIS-UHFFFAOYSA-N 1 2 360.395 2.404 20 5 FEBDLO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000131823727 544208075 /nfs/dbraw/zinc/20/80/75/544208075.db2.gz PRCUDRVUISRAIS-UHFFFAOYSA-N 1 2 360.395 2.404 20 5 FEBDLO COc1ccc(OCCN2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000153232509 544750002 /nfs/dbraw/zinc/75/00/02/544750002.db2.gz KOXWSYIVMWJVEH-UHFFFAOYSA-N 1 2 372.425 2.195 20 5 FEBDLO COc1ccc(OCC[NH+]2CCN(Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000153232509 544750005 /nfs/dbraw/zinc/75/00/05/544750005.db2.gz KOXWSYIVMWJVEH-UHFFFAOYSA-N 1 2 372.425 2.195 20 5 FEBDLO CCOC(=O)c1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000153514588 544785982 /nfs/dbraw/zinc/78/59/82/544785982.db2.gz OULPLYMKXYXDPP-LBPRGKRZSA-N 1 2 360.370 2.034 20 5 FEBDLO C[C@H](c1cccnc1)[NH+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154357429 544895538 /nfs/dbraw/zinc/89/55/38/544895538.db2.gz VNTXXPLHWMXVBY-BEFAXECRSA-N 1 2 356.426 2.402 20 5 FEBDLO C[C@H](c1cccnc1)N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154357429 544895541 /nfs/dbraw/zinc/89/55/41/544895541.db2.gz VNTXXPLHWMXVBY-BEFAXECRSA-N 1 2 356.426 2.402 20 5 FEBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804334984 674280892 /nfs/dbraw/zinc/28/08/92/674280892.db2.gz OSHXKRWACDFPMB-SNVBAGLBSA-N 1 2 352.753 2.258 20 5 FEBDLO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)Cn1cc[nH+]c1 ZINC000182082771 327760140 /nfs/dbraw/zinc/76/01/40/327760140.db2.gz FFFBJMMQABPQDY-SNVBAGLBSA-N 1 2 354.313 2.459 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H]2C[NH+]2CCCC2)s1 ZINC000189081565 328127508 /nfs/dbraw/zinc/12/75/08/328127508.db2.gz IGOGVPKIURGPPG-NSHDSACASA-N 1 2 359.473 2.124 20 5 FEBDLO C[C@H](C(=O)N(C)C)[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000007356852 324356008 /nfs/dbraw/zinc/35/60/08/324356008.db2.gz RMDIKRPWADRJJR-LLVKDONJSA-N 1 2 374.363 2.212 20 5 FEBDLO CN(Cc1ccccc1)C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744061 324642900 /nfs/dbraw/zinc/64/29/00/324642900.db2.gz WUQZXODOOPWZOI-UHFFFAOYSA-N 1 2 368.437 2.375 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@](O)(C(F)(F)F)C3)o2)cc1 ZINC000081064040 325157793 /nfs/dbraw/zinc/15/77/93/325157793.db2.gz USDKIGLHNUJXKO-CYBMUJFWSA-N 1 2 358.276 2.144 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@](O)(C(F)(F)F)C3)o2)cc1 ZINC000081064040 325157795 /nfs/dbraw/zinc/15/77/95/325157795.db2.gz USDKIGLHNUJXKO-CYBMUJFWSA-N 1 2 358.276 2.144 20 5 FEBDLO O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000081702842 325193051 /nfs/dbraw/zinc/19/30/51/325193051.db2.gz KIEQQEOFWCBRDF-ZWKOTPCHSA-N 1 2 364.361 2.169 20 5 FEBDLO Cn1c(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000083219626 325216971 /nfs/dbraw/zinc/21/69/71/325216971.db2.gz QNFCDBCMXKBWQB-OAHLLOKOSA-N 1 2 370.409 2.353 20 5 FEBDLO Cn1c(C[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000083219626 325216975 /nfs/dbraw/zinc/21/69/75/325216975.db2.gz QNFCDBCMXKBWQB-OAHLLOKOSA-N 1 2 370.409 2.353 20 5 FEBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000087005710 325269517 /nfs/dbraw/zinc/26/95/17/325269517.db2.gz ZWENYXKAQJXXTG-UHFFFAOYSA-N 1 2 354.410 2.267 20 5 FEBDLO Cc1nc(C2([NH2+]CCn3cc([N+](=O)[O-])ccc3=O)CCCCCC2)no1 ZINC000090553406 325363093 /nfs/dbraw/zinc/36/30/93/325363093.db2.gz SZCRVOHGTIOMJW-UHFFFAOYSA-N 1 2 361.402 2.287 20 5 FEBDLO O=[N+]([O-])c1ccc2oc(CN3CC[NH+](Cc4cccnc4)CC3)nc2c1 ZINC000091077191 325372495 /nfs/dbraw/zinc/37/24/95/325372495.db2.gz VDLKIDBRJQMNQC-UHFFFAOYSA-N 1 2 353.382 2.449 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000110955709 325697530 /nfs/dbraw/zinc/69/75/30/325697530.db2.gz XMXDBHATGDAYJS-AWEZNQCLSA-N 1 2 351.378 2.061 20 5 FEBDLO CC(C)C(=O)N1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000118830999 326105524 /nfs/dbraw/zinc/10/55/24/326105524.db2.gz RBQMIRWJHUQSFU-CQSZACIVSA-N 1 2 362.430 2.112 20 5 FEBDLO CC(C)C(=O)N1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000118830999 326105527 /nfs/dbraw/zinc/10/55/27/326105527.db2.gz RBQMIRWJHUQSFU-CQSZACIVSA-N 1 2 362.430 2.112 20 5 FEBDLO O=C(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)NCC1CCCCC1 ZINC000118867132 326110090 /nfs/dbraw/zinc/11/00/90/326110090.db2.gz SXNQRCDGHNGYOB-OAHLLOKOSA-N 1 2 361.446 2.173 20 5 FEBDLO O=C(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)NCC1CCCCC1 ZINC000118867132 326110094 /nfs/dbraw/zinc/11/00/94/326110094.db2.gz SXNQRCDGHNGYOB-OAHLLOKOSA-N 1 2 361.446 2.173 20 5 FEBDLO Cc1cc[nH+]c(N2CCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000120026734 326223114 /nfs/dbraw/zinc/22/31/14/326223114.db2.gz QHCQOROOBNHSMK-HNNXBMFYSA-N 1 2 369.425 2.447 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)n1 ZINC000120638772 326275142 /nfs/dbraw/zinc/27/51/42/326275142.db2.gz FWDXDYXWPAHAJX-UHFFFAOYSA-N 1 2 352.398 2.268 20 5 FEBDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121067889 326310675 /nfs/dbraw/zinc/31/06/75/326310675.db2.gz MZPHTUOKHTXPDA-UHFFFAOYSA-N 1 2 353.176 2.363 20 5 FEBDLO Cc1cc2[nH+]cn(C[C@H](O)Cn3cc([N+](=O)[O-])c(C)cc3=O)c2cc1C ZINC000123364693 326428796 /nfs/dbraw/zinc/42/87/96/326428796.db2.gz KUKKYBWBSUKHRH-CQSZACIVSA-N 1 2 356.382 2.093 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000125307259 326469304 /nfs/dbraw/zinc/46/93/04/326469304.db2.gz KZWQTJDWFLGZBF-OAHLLOKOSA-N 1 2 369.425 2.135 20 5 FEBDLO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000125772154 326477648 /nfs/dbraw/zinc/47/76/48/326477648.db2.gz YPUTXXBVWXKJHO-NHYWBVRUSA-N 1 2 359.342 2.423 20 5 FEBDLO O=C(C[NH+]1CCC(OC[C@@H]2CCOC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000132080205 326586675 /nfs/dbraw/zinc/58/66/75/326586675.db2.gz VRALXAFOOTYOSP-CQSZACIVSA-N 1 2 363.414 2.051 20 5 FEBDLO Cc1ccc(NCCCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000161853861 327010664 /nfs/dbraw/zinc/01/06/64/327010664.db2.gz RVVLQSXNUPPVHI-CQSZACIVSA-N 1 2 357.414 2.281 20 5 FEBDLO O=C(C[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000163028971 327040935 /nfs/dbraw/zinc/04/09/35/327040935.db2.gz ISIPVONNYKKMDB-CJNGLKHVSA-N 1 2 372.425 2.009 20 5 FEBDLO O=C(C[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000163028971 327040936 /nfs/dbraw/zinc/04/09/36/327040936.db2.gz ISIPVONNYKKMDB-CJNGLKHVSA-N 1 2 372.425 2.009 20 5 FEBDLO C[C@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000171015534 327112808 /nfs/dbraw/zinc/11/28/08/327112808.db2.gz QRMLLEZBAPXYDR-ZDUSSCGKSA-N 1 2 350.419 2.066 20 5 FEBDLO C[C@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000171015534 327112809 /nfs/dbraw/zinc/11/28/09/327112809.db2.gz QRMLLEZBAPXYDR-ZDUSSCGKSA-N 1 2 350.419 2.066 20 5 FEBDLO CN(Cc1ccccc1[N+](=O)[O-])c1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000171684735 327154859 /nfs/dbraw/zinc/15/48/59/327154859.db2.gz KACDGKIPYVYEEX-AWEZNQCLSA-N 1 2 357.414 2.230 20 5 FEBDLO CN(Cc1ccccc1[N+](=O)[O-])c1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000171684735 327154861 /nfs/dbraw/zinc/15/48/61/327154861.db2.gz KACDGKIPYVYEEX-AWEZNQCLSA-N 1 2 357.414 2.230 20 5 FEBDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000172411896 327200182 /nfs/dbraw/zinc/20/01/82/327200182.db2.gz DJWDEJAIJSDEKX-UHFFFAOYSA-N 1 2 365.411 2.436 20 5 FEBDLO C[C@@H]([NH2+][C@@H](C)c1nnc2ccccn21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000172611231 327211451 /nfs/dbraw/zinc/21/14/51/327211451.db2.gz HBZKEUAHLFUWEW-NWDGAFQWSA-N 1 2 354.370 2.315 20 5 FEBDLO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174846952 327354961 /nfs/dbraw/zinc/35/49/61/327354961.db2.gz CXSGJUZONIXKLS-ZDUSSCGKSA-N 1 2 365.384 2.448 20 5 FEBDLO O=C(NCc1[nH+]ccn1CCc1ccccc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000176480083 327458310 /nfs/dbraw/zinc/45/83/10/327458310.db2.gz NDWFIUXWFIROCD-UHFFFAOYSA-N 1 2 367.365 2.065 20 5 FEBDLO CC(=O)c1ccc(Nc2cnn(CC[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000264248353 329004557 /nfs/dbraw/zinc/00/45/57/329004557.db2.gz BAOHOKOCJHSLHF-UHFFFAOYSA-N 1 2 359.386 2.070 20 5 FEBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000265335388 329115958 /nfs/dbraw/zinc/11/59/58/329115958.db2.gz ULXVZHSZQCHCFP-HNNXBMFYSA-N 1 2 370.409 2.274 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000265926874 329173526 /nfs/dbraw/zinc/17/35/26/329173526.db2.gz DTANHUUHPPRBIN-CQSZACIVSA-N 1 2 370.409 2.450 20 5 FEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC000266535549 329233821 /nfs/dbraw/zinc/23/38/21/329233821.db2.gz OAOQXURNNIDSIM-INIZCTEOSA-N 1 2 360.458 2.286 20 5 FEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000266535549 329233822 /nfs/dbraw/zinc/23/38/22/329233822.db2.gz OAOQXURNNIDSIM-INIZCTEOSA-N 1 2 360.458 2.286 20 5 FEBDLO NC(=O)c1ccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000267005209 329282123 /nfs/dbraw/zinc/28/21/23/329282123.db2.gz FIQXYUZHZHGMBE-UHFFFAOYSA-N 1 2 358.373 2.155 20 5 FEBDLO CCOC(=O)c1ccnc(N[C@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000269841776 329553695 /nfs/dbraw/zinc/55/36/95/329553695.db2.gz CGUATEJIDZMRMP-LBPRGKRZSA-N 1 2 357.370 2.252 20 5 FEBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000273687427 329884004 /nfs/dbraw/zinc/88/40/04/329884004.db2.gz LLDPUPMHDBBYSQ-GFCCVEGCSA-N 1 2 350.400 2.027 20 5 FEBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000273687445 329884048 /nfs/dbraw/zinc/88/40/48/329884048.db2.gz LLDPUPMHDBBYSQ-LBPRGKRZSA-N 1 2 350.400 2.027 20 5 FEBDLO Cc1sc(C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)cc1[N+](=O)[O-] ZINC000276247316 330133372 /nfs/dbraw/zinc/13/33/72/330133372.db2.gz LBXAIMOTXHRLDM-MFKMUULPSA-N 1 2 350.400 2.348 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367132158 330220956 /nfs/dbraw/zinc/22/09/56/330220956.db2.gz YTHRIQVIZACMRX-CQSZACIVSA-N 1 2 372.429 2.039 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCOc2cccc(F)c2C1 ZINC000367212206 330230715 /nfs/dbraw/zinc/23/07/15/330230715.db2.gz IKJAHEONBKVMBS-CYBMUJFWSA-N 1 2 362.357 2.368 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCOc2cccc(F)c2C1 ZINC000367212206 330230716 /nfs/dbraw/zinc/23/07/16/330230716.db2.gz IKJAHEONBKVMBS-CYBMUJFWSA-N 1 2 362.357 2.368 20 5 FEBDLO C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000159105470 545921506 /nfs/dbraw/zinc/92/15/06/545921506.db2.gz JTTHNDSEBLCVAJ-UHFFFAOYSA-N 1 2 357.341 2.462 20 5 FEBDLO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000159105470 545921513 /nfs/dbraw/zinc/92/15/13/545921513.db2.gz JTTHNDSEBLCVAJ-UHFFFAOYSA-N 1 2 357.341 2.462 20 5 FEBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000159417416 545951911 /nfs/dbraw/zinc/95/19/11/545951911.db2.gz VIELZLSYJKJNFT-NSHDSACASA-N 1 2 362.411 2.276 20 5 FEBDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3c([N+](=O)[O-])cnn3C)CC2)cc1 ZINC000160362674 546033902 /nfs/dbraw/zinc/03/39/02/546033902.db2.gz DEWDQHQZSBSPMS-UHFFFAOYSA-N 1 2 371.441 2.410 20 5 FEBDLO O=C(NCCCn1cc[nH+]c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000160528085 546049193 /nfs/dbraw/zinc/04/91/93/546049193.db2.gz BFYYYRWREWFZKK-UHFFFAOYSA-N 1 2 353.176 2.374 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000478907437 561177757 /nfs/dbraw/zinc/17/77/57/561177757.db2.gz CROPXRBRYRVWNF-AWEZNQCLSA-N 1 2 371.397 2.212 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N2CCN(C)c3[nH+]cccc32)c1[N+](=O)[O-] ZINC000479609704 561193187 /nfs/dbraw/zinc/19/31/87/561193187.db2.gz RRVSWWXWBYLKSS-UHFFFAOYSA-N 1 2 362.411 2.252 20 5 FEBDLO Cc1cc(S(=O)(=O)Nc2cc(C[NH+](C)C)ccn2)ccc1[N+](=O)[O-] ZINC000176420807 546443897 /nfs/dbraw/zinc/44/38/97/546443897.db2.gz JVTDDHGNGXQRTE-UHFFFAOYSA-N 1 2 350.400 2.161 20 5 FEBDLO O=C(NC[C@@H](CO)c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000176496665 546454754 /nfs/dbraw/zinc/45/47/54/546454754.db2.gz YWDVFACUOKENFE-INIZCTEOSA-N 1 2 366.377 2.286 20 5 FEBDLO COC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000177437627 546617704 /nfs/dbraw/zinc/61/77/04/546617704.db2.gz KMVOZAKTLXRQSI-MGPLVRAMSA-N 1 2 369.805 2.460 20 5 FEBDLO COC(=O)[C@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000177437627 546617707 /nfs/dbraw/zinc/61/77/07/546617707.db2.gz KMVOZAKTLXRQSI-MGPLVRAMSA-N 1 2 369.805 2.460 20 5 FEBDLO CCOC(=O)[C@@H](CC)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000481756377 561240975 /nfs/dbraw/zinc/24/09/75/561240975.db2.gz MVBQMHDUNNQSPK-OAHLLOKOSA-N 1 2 365.430 2.457 20 5 FEBDLO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)[C@H](C)C1 ZINC000179502085 546967284 /nfs/dbraw/zinc/96/72/84/546967284.db2.gz ZLBBDJGFDHRHRC-CJNGLKHVSA-N 1 2 365.430 2.167 20 5 FEBDLO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)[C@H](C)C1 ZINC000179502085 546967287 /nfs/dbraw/zinc/96/72/87/546967287.db2.gz ZLBBDJGFDHRHRC-CJNGLKHVSA-N 1 2 365.430 2.167 20 5 FEBDLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000182222537 547456173 /nfs/dbraw/zinc/45/61/73/547456173.db2.gz MCUWJQRKCZNDTD-UHFFFAOYSA-N 1 2 374.363 2.152 20 5 FEBDLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000182222537 547456178 /nfs/dbraw/zinc/45/61/78/547456178.db2.gz MCUWJQRKCZNDTD-UHFFFAOYSA-N 1 2 374.363 2.152 20 5 FEBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000183533525 547676312 /nfs/dbraw/zinc/67/63/12/547676312.db2.gz SUGSNLQZVDIIJB-UHFFFAOYSA-N 1 2 368.353 2.100 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000184615931 547854677 /nfs/dbraw/zinc/85/46/77/547854677.db2.gz TUKGSFGPTIOPKK-UHFFFAOYSA-N 1 2 355.394 2.301 20 5 FEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000184755639 547876176 /nfs/dbraw/zinc/87/61/76/547876176.db2.gz QFDYLNLFXBEJLJ-MRXNPFEDSA-N 1 2 363.458 2.391 20 5 FEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000184755639 547876179 /nfs/dbraw/zinc/87/61/79/547876179.db2.gz QFDYLNLFXBEJLJ-MRXNPFEDSA-N 1 2 363.458 2.391 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000192484287 548364447 /nfs/dbraw/zinc/36/44/47/548364447.db2.gz NYEXOPJCZHCVBP-AWEZNQCLSA-N 1 2 370.409 2.453 20 5 FEBDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000194714618 548519517 /nfs/dbraw/zinc/51/95/17/548519517.db2.gz OLRMADFXESKFEY-UHFFFAOYSA-N 1 2 371.441 2.212 20 5 FEBDLO COCCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000245833290 549000547 /nfs/dbraw/zinc/00/05/47/549000547.db2.gz GRRVBNXRKVEVNQ-ZIAGYGMSSA-N 1 2 351.403 2.049 20 5 FEBDLO COCCO[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000245833290 549000552 /nfs/dbraw/zinc/00/05/52/549000552.db2.gz GRRVBNXRKVEVNQ-ZIAGYGMSSA-N 1 2 351.403 2.049 20 5 FEBDLO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000488494321 561390665 /nfs/dbraw/zinc/39/06/65/561390665.db2.gz YSOSBEBEQNBDQM-ZDUSSCGKSA-N 1 2 363.805 2.301 20 5 FEBDLO C[C@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000246557324 549161599 /nfs/dbraw/zinc/16/15/99/549161599.db2.gz DSTCVVGCCOGFTR-XJKSGUPXSA-N 1 2 364.427 2.204 20 5 FEBDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CCO1 ZINC000489086202 561403048 /nfs/dbraw/zinc/40/30/48/561403048.db2.gz WYLKSBJNZRCZRH-AWEZNQCLSA-N 1 2 350.419 2.444 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CCO1 ZINC000489086202 561403049 /nfs/dbraw/zinc/40/30/49/561403049.db2.gz WYLKSBJNZRCZRH-AWEZNQCLSA-N 1 2 350.419 2.444 20 5 FEBDLO CCOc1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])cc1OC ZINC000492727440 561452508 /nfs/dbraw/zinc/45/25/08/561452508.db2.gz BJHOPTOOAPXGSL-JTQLQIEISA-N 1 2 360.370 2.013 20 5 FEBDLO CCOc1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])cc1OC ZINC000492727440 561452509 /nfs/dbraw/zinc/45/25/09/561452509.db2.gz BJHOPTOOAPXGSL-JTQLQIEISA-N 1 2 360.370 2.013 20 5 FEBDLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000270862907 550314955 /nfs/dbraw/zinc/31/49/55/550314955.db2.gz LWWRBEYDKIAZGG-GXFFZTMASA-N 1 2 372.303 2.212 20 5 FEBDLO COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000494048225 561461391 /nfs/dbraw/zinc/46/13/91/561461391.db2.gz KKCNCPYTZQPMOP-NSHDSACASA-N 1 2 358.354 2.123 20 5 FEBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3n[nH]c4ccc([N+](=O)[O-])cc43)n2)C1 ZINC000272679425 550464479 /nfs/dbraw/zinc/46/44/79/550464479.db2.gz RNLJOMSUPPXGQO-CYBMUJFWSA-N 1 2 358.358 2.303 20 5 FEBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3n[nH]c4ccc([N+](=O)[O-])cc43)n2)C1 ZINC000272679425 550464480 /nfs/dbraw/zinc/46/44/80/550464480.db2.gz RNLJOMSUPPXGQO-CYBMUJFWSA-N 1 2 358.358 2.303 20 5 FEBDLO CC(C)(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000273929439 550516239 /nfs/dbraw/zinc/51/62/39/550516239.db2.gz HPIOVEBYTITUHE-UHFFFAOYSA-N 1 2 367.421 2.239 20 5 FEBDLO CC(C)(C(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000273929439 550516241 /nfs/dbraw/zinc/51/62/41/550516241.db2.gz HPIOVEBYTITUHE-UHFFFAOYSA-N 1 2 367.421 2.239 20 5 FEBDLO CCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](CC)C(=O)OCC ZINC000276885086 550607121 /nfs/dbraw/zinc/60/71/21/550607121.db2.gz XYKMJNQXYCGPSA-CQSZACIVSA-N 1 2 351.403 2.247 20 5 FEBDLO CCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](CC)C(=O)OCC ZINC000276885086 550607122 /nfs/dbraw/zinc/60/71/22/550607122.db2.gz XYKMJNQXYCGPSA-CQSZACIVSA-N 1 2 351.403 2.247 20 5 FEBDLO COC1(c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)CCOCC1 ZINC000278304735 550771059 /nfs/dbraw/zinc/77/10/59/550771059.db2.gz WIAJQVQHOFJHQF-UHFFFAOYSA-N 1 2 371.353 2.483 20 5 FEBDLO Cn1cc[nH+]c1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278452619 550788133 /nfs/dbraw/zinc/78/81/33/550788133.db2.gz NKGZHXQEZZYWRF-UHFFFAOYSA-N 1 2 357.292 2.347 20 5 FEBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000279312195 550876323 /nfs/dbraw/zinc/87/63/23/550876323.db2.gz NOPLGHVQQYDYAW-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000279312195 550876324 /nfs/dbraw/zinc/87/63/24/550876324.db2.gz NOPLGHVQQYDYAW-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000280522030 551003198 /nfs/dbraw/zinc/00/31/98/551003198.db2.gz RBOPGQYXIQZFQL-HSMVNMDESA-N 1 2 351.359 2.271 20 5 FEBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000280522030 551003200 /nfs/dbraw/zinc/00/32/00/551003200.db2.gz RBOPGQYXIQZFQL-HSMVNMDESA-N 1 2 351.359 2.271 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCCO[C@H](CC)C2)c([N+](=O)[O-])c1 ZINC000281473167 551102062 /nfs/dbraw/zinc/10/20/62/551102062.db2.gz RTZOTXYPIBNIKJ-CYBMUJFWSA-N 1 2 351.403 2.433 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CCCO[C@H](CC)C2)c([N+](=O)[O-])c1 ZINC000281473167 551102063 /nfs/dbraw/zinc/10/20/63/551102063.db2.gz RTZOTXYPIBNIKJ-CYBMUJFWSA-N 1 2 351.403 2.433 20 5 FEBDLO Cc1cc(F)c(NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1[N+](=O)[O-] ZINC000283981725 551461805 /nfs/dbraw/zinc/46/18/05/551461805.db2.gz MKYHTNQHLQGZLV-UHFFFAOYSA-N 1 2 374.376 2.495 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000498168729 561517578 /nfs/dbraw/zinc/51/75/78/561517578.db2.gz LILBETPPOXUMRW-UHFFFAOYSA-N 1 2 368.397 2.051 20 5 FEBDLO O=C1CCCN1CC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284893198 551660793 /nfs/dbraw/zinc/66/07/93/551660793.db2.gz UKGVOAVUJYGKEL-UHFFFAOYSA-N 1 2 368.231 2.338 20 5 FEBDLO O=C1CCCN1CC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284893198 551660794 /nfs/dbraw/zinc/66/07/94/551660794.db2.gz UKGVOAVUJYGKEL-UHFFFAOYSA-N 1 2 368.231 2.338 20 5 FEBDLO Cc1noc([C@H]2CCCC[N@@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000285501182 551765833 /nfs/dbraw/zinc/76/58/33/551765833.db2.gz CRDMJFJLDYXUAZ-GDBMZVCRSA-N 1 2 362.386 2.253 20 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COc1cc(C[NH+]2CC3(C2)CCOC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000294039477 552877174 /nfs/dbraw/zinc/87/71/74/552877174.db2.gz OUBBTJYVRCSQKW-UHFFFAOYSA-N 1 2 358.341 2.470 20 5 FEBDLO O=C1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCN1C1CC1 ZINC000501937475 561608428 /nfs/dbraw/zinc/60/84/28/561608428.db2.gz FZKPMWVKIMVZJK-UHFFFAOYSA-N 1 2 356.382 2.099 20 5 FEBDLO O=C1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCN1C1CC1 ZINC000501937475 561608429 /nfs/dbraw/zinc/60/84/29/561608429.db2.gz FZKPMWVKIMVZJK-UHFFFAOYSA-N 1 2 356.382 2.099 20 5 FEBDLO Cc1cc(Cl)c(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000295254526 552976859 /nfs/dbraw/zinc/97/68/59/552976859.db2.gz KSXFJBFCXCHLFT-STQMWFEESA-N 1 2 367.833 2.492 20 5 FEBDLO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000295259270 552977778 /nfs/dbraw/zinc/97/77/78/552977778.db2.gz HLRPOIIFYUIYLH-OAHLLOKOSA-N 1 2 368.393 2.348 20 5 FEBDLO CCn1cc[nH+]c1CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000295587353 553029717 /nfs/dbraw/zinc/02/97/17/553029717.db2.gz WGICWZFFXHWZQG-UHFFFAOYSA-N 1 2 358.807 2.252 20 5 FEBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cc[nH]c(=O)c1 ZINC000502273854 561615442 /nfs/dbraw/zinc/61/54/42/561615442.db2.gz WWAOWDSZJOFHQX-LLVKDONJSA-N 1 2 353.338 2.372 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1N(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296066523 553099108 /nfs/dbraw/zinc/09/91/08/553099108.db2.gz XOTZMICLZACQJC-ZBFHGGJFSA-N 1 2 360.414 2.151 20 5 FEBDLO Cc1cc(F)c(NC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000296781701 553210738 /nfs/dbraw/zinc/21/07/38/553210738.db2.gz PPEWUWGGUJRQIG-MLGOLLRUSA-N 1 2 366.393 2.227 20 5 FEBDLO Cc1cc(NCCNC(=O)COc2cccc([N+](=O)[O-])c2)nc(C(C)C)[nH+]1 ZINC000600365114 553257055 /nfs/dbraw/zinc/25/70/55/553257055.db2.gz HXQWQABECODCCL-UHFFFAOYSA-N 1 2 373.413 2.424 20 5 FEBDLO C[C@@]12CC[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@@H]1C2(F)F ZINC000298341719 553414204 /nfs/dbraw/zinc/41/42/04/553414204.db2.gz SFEMRIJEWBIOGO-GOEBONIOSA-N 1 2 351.353 2.461 20 5 FEBDLO C[C@@]12CC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@@H]1C2(F)F ZINC000298341719 553414205 /nfs/dbraw/zinc/41/42/05/553414205.db2.gz SFEMRIJEWBIOGO-GOEBONIOSA-N 1 2 351.353 2.461 20 5 FEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000503531629 561643885 /nfs/dbraw/zinc/64/38/85/561643885.db2.gz BPXUEBBPGFAFNQ-HNNXBMFYSA-N 1 2 369.385 2.155 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000301148177 553625860 /nfs/dbraw/zinc/62/58/60/553625860.db2.gz BTGLDMFBLDYHHO-UHFFFAOYSA-N 1 2 368.437 2.342 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000301205085 553630838 /nfs/dbraw/zinc/63/08/38/553630838.db2.gz RFXFDZLBYZGGGS-HNNXBMFYSA-N 1 2 360.458 2.473 20 5 FEBDLO COC1(c2ccccc2)C[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000504679774 561661298 /nfs/dbraw/zinc/66/12/98/561661298.db2.gz FASWEPFYNPNGIX-QGZVFWFLSA-N 1 2 358.394 2.192 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCc1cn2ccccc2[nH+]1 ZINC000302720058 553728602 /nfs/dbraw/zinc/72/86/02/553728602.db2.gz OTYAJOSNYAHZBV-UHFFFAOYSA-N 1 2 360.395 2.301 20 5 FEBDLO C[C@@H]1C[N@@H+](CCN(C)c2ncc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000302842598 553735977 /nfs/dbraw/zinc/73/59/77/553735977.db2.gz DOGLSKGGIZDBEE-PHIMTYICSA-N 1 2 373.251 2.298 20 5 FEBDLO C[C@@H]1C[N@H+](CCN(C)c2ncc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000302842598 553735980 /nfs/dbraw/zinc/73/59/80/553735980.db2.gz DOGLSKGGIZDBEE-PHIMTYICSA-N 1 2 373.251 2.298 20 5 FEBDLO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000507515032 561731417 /nfs/dbraw/zinc/73/14/17/561731417.db2.gz CRRJFQRAFJJKON-ZDUSSCGKSA-N 1 2 353.400 2.077 20 5 FEBDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000331503012 554276136 /nfs/dbraw/zinc/27/61/36/554276136.db2.gz WTMYBQJSVXYUGR-HOCLYGCPSA-N 1 2 367.833 2.460 20 5 FEBDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000331503012 554276140 /nfs/dbraw/zinc/27/61/40/554276140.db2.gz WTMYBQJSVXYUGR-HOCLYGCPSA-N 1 2 367.833 2.460 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000331527449 554280157 /nfs/dbraw/zinc/28/01/57/554280157.db2.gz KFIOETVXKBKICU-GOSISDBHSA-N 1 2 363.414 2.112 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000331527449 554280161 /nfs/dbraw/zinc/28/01/61/554280161.db2.gz KFIOETVXKBKICU-GOSISDBHSA-N 1 2 363.414 2.112 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000510449913 561835070 /nfs/dbraw/zinc/83/50/70/561835070.db2.gz PYTUHLPVUJOKME-OAHLLOKOSA-N 1 2 364.427 2.375 20 5 FEBDLO C[N@@H+]1CCO[C@@H]2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])C[C@H]21 ZINC000332542704 554468517 /nfs/dbraw/zinc/46/85/17/554468517.db2.gz YTSSOTMTVZWSIV-HUUCEWRRSA-N 1 2 370.247 2.262 20 5 FEBDLO C[N@H+]1CCO[C@@H]2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])C[C@H]21 ZINC000332542704 554468519 /nfs/dbraw/zinc/46/85/19/554468519.db2.gz YTSSOTMTVZWSIV-HUUCEWRRSA-N 1 2 370.247 2.262 20 5 FEBDLO COC1(c2noc(-c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)CCOCC1 ZINC000351110456 554837531 /nfs/dbraw/zinc/83/75/31/554837531.db2.gz GODQBXVJHJNDOP-UHFFFAOYSA-N 1 2 371.353 2.483 20 5 FEBDLO CCc1c[nH+]ccc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000511889500 561884160 /nfs/dbraw/zinc/88/41/60/561884160.db2.gz JECFRQUIPJRURY-CYBMUJFWSA-N 1 2 374.422 2.279 20 5 FEBDLO CN(C(=O)COc1cccc([N+](=O)[O-])c1)C1CCN(c2cccc[nH+]2)CC1 ZINC000363675985 555161571 /nfs/dbraw/zinc/16/15/71/555161571.db2.gz JZUWZAJREIDAMB-UHFFFAOYSA-N 1 2 370.409 2.496 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000363810901 555191037 /nfs/dbraw/zinc/19/10/37/555191037.db2.gz COBKWFZISRNSGS-PKOBYXMFSA-N 1 2 374.393 2.114 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000363810901 555191039 /nfs/dbraw/zinc/19/10/39/555191039.db2.gz COBKWFZISRNSGS-PKOBYXMFSA-N 1 2 374.393 2.114 20 5 FEBDLO CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H](c1[nH+]ccn1C)c1cccnc1 ZINC000364409360 555307914 /nfs/dbraw/zinc/30/79/14/555307914.db2.gz XUHJCJLDEZIYQT-MRXNPFEDSA-N 1 2 366.381 2.370 20 5 FEBDLO O=C(N[C@@H]1CCc2[nH+]ccn2C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000365656493 555633810 /nfs/dbraw/zinc/63/38/10/555633810.db2.gz BVMSZLOWWVCFEB-SSDOTTSWSA-N 1 2 371.216 2.360 20 5 FEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000366190937 555776344 /nfs/dbraw/zinc/77/63/44/555776344.db2.gz INHSOGZMCNOLSX-HNNXBMFYSA-N 1 2 355.329 2.382 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)n1 ZINC000513995004 561957626 /nfs/dbraw/zinc/95/76/26/561957626.db2.gz RZZGLSMAOGBOSE-CYBMUJFWSA-N 1 2 363.805 2.251 20 5 FEBDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000366766649 555928704 /nfs/dbraw/zinc/92/87/04/555928704.db2.gz RPLSRPVQZMDTOY-QGZVFWFLSA-N 1 2 361.423 2.201 20 5 FEBDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000366766649 555928706 /nfs/dbraw/zinc/92/87/06/555928706.db2.gz RPLSRPVQZMDTOY-QGZVFWFLSA-N 1 2 361.423 2.201 20 5 FEBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCOC[C@@H]1C1CC1 ZINC000367280862 556006854 /nfs/dbraw/zinc/00/68/54/556006854.db2.gz PXGVWGZTKYTHPL-GOSISDBHSA-N 1 2 359.426 2.197 20 5 FEBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCOC[C@@H]1C1CC1 ZINC000367280862 556006855 /nfs/dbraw/zinc/00/68/55/556006855.db2.gz PXGVWGZTKYTHPL-GOSISDBHSA-N 1 2 359.426 2.197 20 5 FEBDLO O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000367456289 556054977 /nfs/dbraw/zinc/05/49/77/556054977.db2.gz BGRKHYWTMLAMKI-MRXNPFEDSA-N 1 2 364.402 2.190 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000368069077 556210215 /nfs/dbraw/zinc/21/02/15/556210215.db2.gz DMMLBTAJPVZUCL-KGLIPLIRSA-N 1 2 373.413 2.382 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000368069077 556210217 /nfs/dbraw/zinc/21/02/17/556210217.db2.gz DMMLBTAJPVZUCL-KGLIPLIRSA-N 1 2 373.413 2.382 20 5 FEBDLO CCC(=O)N1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000515528563 562014350 /nfs/dbraw/zinc/01/43/50/562014350.db2.gz NZUTYAUORRMSTB-UHFFFAOYSA-N 1 2 359.386 2.089 20 5 FEBDLO CCC(=O)N1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000515528563 562014351 /nfs/dbraw/zinc/01/43/51/562014351.db2.gz NZUTYAUORRMSTB-UHFFFAOYSA-N 1 2 359.386 2.089 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000369351353 556576972 /nfs/dbraw/zinc/57/69/72/556576972.db2.gz BXOXBILNYMGFBY-ZDUSSCGKSA-N 1 2 364.427 2.205 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000369354446 556577605 /nfs/dbraw/zinc/57/76/05/556577605.db2.gz RTYKKLYEJXMUJV-LLVKDONJSA-N 1 2 354.370 2.224 20 5 FEBDLO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1ccc(F)cc1F ZINC000369693564 556670010 /nfs/dbraw/zinc/67/00/10/556670010.db2.gz UDPAVPJEUIBFBW-UHFFFAOYSA-N 1 2 365.340 2.345 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000370054864 556768729 /nfs/dbraw/zinc/76/87/29/556768729.db2.gz DRTFGTWEYXPERB-UHFFFAOYSA-N 1 2 359.386 2.035 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000370054864 556768732 /nfs/dbraw/zinc/76/87/32/556768732.db2.gz DRTFGTWEYXPERB-UHFFFAOYSA-N 1 2 359.386 2.035 20 5 FEBDLO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000370183441 556804591 /nfs/dbraw/zinc/80/45/91/556804591.db2.gz KYWLHCZIQSGDSL-MRXNPFEDSA-N 1 2 369.356 2.397 20 5 FEBDLO Cc1cc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3C)CC2)nc[nH+]1 ZINC000370268607 556825556 /nfs/dbraw/zinc/82/55/56/556825556.db2.gz LIIIPZLSFUPWLU-UHFFFAOYSA-N 1 2 355.398 2.400 20 5 FEBDLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000370606359 556920453 /nfs/dbraw/zinc/92/04/53/556920453.db2.gz KKCSYXGGXSVIDQ-OAHLLOKOSA-N 1 2 355.398 2.087 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370906530 557010383 /nfs/dbraw/zinc/01/03/83/557010383.db2.gz WGRFPTWZASEUNT-GJZGRUSLSA-N 1 2 374.441 2.399 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370906530 557010384 /nfs/dbraw/zinc/01/03/84/557010384.db2.gz WGRFPTWZASEUNT-GJZGRUSLSA-N 1 2 374.441 2.399 20 5 FEBDLO Cc1nc(N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC000517216597 562079956 /nfs/dbraw/zinc/07/99/56/562079956.db2.gz KIYFMFBZDOBIID-RHSMWYFYSA-N 1 2 357.414 2.395 20 5 FEBDLO Cc1nc(N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC000517216597 562079957 /nfs/dbraw/zinc/07/99/57/562079957.db2.gz KIYFMFBZDOBIID-RHSMWYFYSA-N 1 2 357.414 2.395 20 5 FEBDLO Cc1c([C@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000371381511 557167099 /nfs/dbraw/zinc/16/70/99/557167099.db2.gz YRVMRPZPZBSPCB-QGZVFWFLSA-N 1 2 357.414 2.437 20 5 FEBDLO Cc1c([C@H]2CCC[N@@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000371381511 557167100 /nfs/dbraw/zinc/16/71/00/557167100.db2.gz YRVMRPZPZBSPCB-QGZVFWFLSA-N 1 2 357.414 2.437 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000518175438 562105747 /nfs/dbraw/zinc/10/57/47/562105747.db2.gz BTBYOZOWZQWODN-UHFFFAOYSA-N 1 2 357.345 2.404 20 5 FEBDLO COc1ccc(CC(=O)NCC2CC[NH+](CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000518794305 562118721 /nfs/dbraw/zinc/11/87/21/562118721.db2.gz ACQYICRMRCIRJY-UHFFFAOYSA-N 1 2 371.384 2.239 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000372222318 557413868 /nfs/dbraw/zinc/41/38/68/557413868.db2.gz AMHGQZCNXBWRLJ-ZDUSSCGKSA-N 1 2 371.397 2.040 20 5 FEBDLO O=C(NC[C@H]1CCC[C@@H](CO)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000520276070 562152465 /nfs/dbraw/zinc/15/24/65/562152465.db2.gz CBMTVQZPYJTXAI-UONOGXRCSA-N 1 2 358.398 2.309 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000373808705 557763857 /nfs/dbraw/zinc/76/38/57/557763857.db2.gz BZQTWYXNHRVTHA-KDOFPFPSSA-N 1 2 363.414 2.112 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000373808705 557763859 /nfs/dbraw/zinc/76/38/59/557763859.db2.gz BZQTWYXNHRVTHA-KDOFPFPSSA-N 1 2 363.414 2.112 20 5 FEBDLO CC[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@]2(CCOC2)O1 ZINC000373811009 557764298 /nfs/dbraw/zinc/76/42/98/557764298.db2.gz LBNOPGCCYBJGRH-QAPCUYQASA-N 1 2 374.397 2.415 20 5 FEBDLO CC[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@]2(CCOC2)O1 ZINC000373811009 557764300 /nfs/dbraw/zinc/76/43/00/557764300.db2.gz LBNOPGCCYBJGRH-QAPCUYQASA-N 1 2 374.397 2.415 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000374053397 557814951 /nfs/dbraw/zinc/81/49/51/557814951.db2.gz YLIJSRKNUHZFLY-JTQLQIEISA-N 1 2 364.793 2.184 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H](c2nnc[nH]2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000374053397 557814954 /nfs/dbraw/zinc/81/49/54/557814954.db2.gz YLIJSRKNUHZFLY-JTQLQIEISA-N 1 2 364.793 2.184 20 5 FEBDLO COc1ccc2c(c1)OCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000374851148 557940948 /nfs/dbraw/zinc/94/09/48/557940948.db2.gz ONPRSDVOCBZOAA-UHFFFAOYSA-N 1 2 357.366 2.097 20 5 FEBDLO COc1ccc2c(c1)OCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000374851148 557940949 /nfs/dbraw/zinc/94/09/49/557940949.db2.gz ONPRSDVOCBZOAA-UHFFFAOYSA-N 1 2 357.366 2.097 20 5 FEBDLO O=C(C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000374871187 557944258 /nfs/dbraw/zinc/94/42/58/557944258.db2.gz CGFGOVQLUOBLGK-GOSISDBHSA-N 1 2 359.357 2.266 20 5 FEBDLO O=C(C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000374871187 557944260 /nfs/dbraw/zinc/94/42/60/557944260.db2.gz CGFGOVQLUOBLGK-GOSISDBHSA-N 1 2 359.357 2.266 20 5 FEBDLO O=[N+]([O-])c1cnn([C@@H]2CCCN(c3cc(N4CCCCC4)[nH+]cn3)C2)c1 ZINC000375393916 558020101 /nfs/dbraw/zinc/02/01/01/558020101.db2.gz WLYKAJJJHYXFTN-CQSZACIVSA-N 1 2 357.418 2.413 20 5 FEBDLO O=[N+]([O-])c1cnn([C@@H]2CCCN(c3cc(N4CCCCC4)nc[nH+]3)C2)c1 ZINC000375393916 558020103 /nfs/dbraw/zinc/02/01/03/558020103.db2.gz WLYKAJJJHYXFTN-CQSZACIVSA-N 1 2 357.418 2.413 20 5 FEBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CC(=O)Nc2ccccc21 ZINC000375616028 558057231 /nfs/dbraw/zinc/05/72/31/558057231.db2.gz CQDFLEXEEIQVLM-UHFFFAOYSA-N 1 2 368.393 2.054 20 5 FEBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CC(=O)Nc2ccccc21 ZINC000375616028 558057232 /nfs/dbraw/zinc/05/72/32/558057232.db2.gz CQDFLEXEEIQVLM-UHFFFAOYSA-N 1 2 368.393 2.054 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)c1 ZINC000375905823 558097643 /nfs/dbraw/zinc/09/76/43/558097643.db2.gz YSXUZXKQERNTNR-MRXNPFEDSA-N 1 2 370.409 2.240 20 5 FEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000411580673 558922316 /nfs/dbraw/zinc/92/23/16/558922316.db2.gz HCCFWUDXTZHCNC-LBPRGKRZSA-N 1 2 359.386 2.244 20 5 FEBDLO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1nccs1 ZINC000411876682 558980990 /nfs/dbraw/zinc/98/09/90/558980990.db2.gz QABASAQNIKJXCF-QMMMGPOBSA-N 1 2 350.356 2.069 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1F ZINC000411992232 559000161 /nfs/dbraw/zinc/00/01/61/559000161.db2.gz ZZIIMHBPJXPTFN-LLVKDONJSA-N 1 2 362.361 2.414 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412053852 559006869 /nfs/dbraw/zinc/00/68/69/559006869.db2.gz GRWQWRUJFURANQ-HNNXBMFYSA-N 1 2 374.441 2.319 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412053852 559006870 /nfs/dbraw/zinc/00/68/70/559006870.db2.gz GRWQWRUJFURANQ-HNNXBMFYSA-N 1 2 374.441 2.319 20 5 FEBDLO COC(=O)[C@H]1CSCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000412071734 559009789 /nfs/dbraw/zinc/00/97/89/559009789.db2.gz JPZGSGCGUVAWJR-LLVKDONJSA-N 1 2 358.391 2.081 20 5 FEBDLO COC(=O)[C@H]1CSCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000412071734 559009790 /nfs/dbraw/zinc/00/97/90/559009790.db2.gz JPZGSGCGUVAWJR-LLVKDONJSA-N 1 2 358.391 2.081 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413069073 559074770 /nfs/dbraw/zinc/07/47/70/559074770.db2.gz LOBPWYYMTNVQFC-CHWSQXEVSA-N 1 2 373.413 2.213 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413069073 559074771 /nfs/dbraw/zinc/07/47/71/559074771.db2.gz LOBPWYYMTNVQFC-CHWSQXEVSA-N 1 2 373.413 2.213 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCN(C)c3[nH+]cccc32)c(C)cc1[N+](=O)[O-] ZINC000414445133 559164380 /nfs/dbraw/zinc/16/43/80/559164380.db2.gz RMTIYIYTLZYQQQ-UHFFFAOYSA-N 1 2 362.411 2.252 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c(C)cc1[N+](=O)[O-] ZINC000416460914 559314666 /nfs/dbraw/zinc/31/46/66/559314666.db2.gz WTKWTQOMVXDAMS-GFCCVEGCSA-N 1 2 350.400 2.461 20 5 FEBDLO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[C@H]1c1ccc(F)cc1 ZINC000424030153 559651980 /nfs/dbraw/zinc/65/19/80/559651980.db2.gz FBSNZARLRVTTSZ-LSDHHAIUSA-N 1 2 359.357 2.397 20 5 FEBDLO CCn1nccc1CN(C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000425259064 559693733 /nfs/dbraw/zinc/69/37/33/559693733.db2.gz LOBCNYRAQCACMS-UHFFFAOYSA-N 1 2 359.430 2.280 20 5 FEBDLO CCc1cc(NC[C@H]2CCN(C)C(=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000425270107 559694316 /nfs/dbraw/zinc/69/43/16/559694316.db2.gz VEYANOIDVLHUPL-ZDUSSCGKSA-N 1 2 369.425 2.316 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(O)(C(F)F)CC3)n2)c1 ZINC000426261245 559731844 /nfs/dbraw/zinc/73/18/44/559731844.db2.gz PEHRUYGYQCZVPO-UHFFFAOYSA-N 1 2 354.313 2.237 20 5 FEBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000427997032 559767179 /nfs/dbraw/zinc/76/71/79/559767179.db2.gz QILMDZMOFMDJQV-NSHDSACASA-N 1 2 365.187 2.299 20 5 FEBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000430256898 559816327 /nfs/dbraw/zinc/81/63/27/559816327.db2.gz MDFWOWYFZZIHIS-AWEZNQCLSA-N 1 2 355.398 2.480 20 5 FEBDLO CCN1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000431992073 559850025 /nfs/dbraw/zinc/85/00/25/559850025.db2.gz MIGFFGPZPMVVSO-CQSZACIVSA-N 1 2 374.401 2.237 20 5 FEBDLO CCN1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433110005 559872088 /nfs/dbraw/zinc/87/20/88/559872088.db2.gz NCQOUUAWBCKXSC-MRXNPFEDSA-N 1 2 357.414 2.074 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433739666 559887061 /nfs/dbraw/zinc/88/70/61/559887061.db2.gz ZJPGXMAEOHSTHV-UHFFFAOYSA-N 1 2 353.806 2.151 20 5 FEBDLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCCO1 ZINC000439476012 559995069 /nfs/dbraw/zinc/99/50/69/559995069.db2.gz ZGEJFYPKXQPQTQ-OLZOCXBDSA-N 1 2 351.403 2.431 20 5 FEBDLO CC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCCO1 ZINC000439476012 559995070 /nfs/dbraw/zinc/99/50/70/559995070.db2.gz ZGEJFYPKXQPQTQ-OLZOCXBDSA-N 1 2 351.403 2.431 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000439879119 560001323 /nfs/dbraw/zinc/00/13/23/560001323.db2.gz NKBVWRMPJBOUDL-UHFFFAOYSA-N 1 2 366.418 2.226 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000439879119 560001324 /nfs/dbraw/zinc/00/13/24/560001324.db2.gz NKBVWRMPJBOUDL-UHFFFAOYSA-N 1 2 366.418 2.226 20 5 FEBDLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444670903 560117961 /nfs/dbraw/zinc/11/79/61/560117961.db2.gz BLSUWIWTIBSWRS-STQMWFEESA-N 1 2 362.386 2.014 20 5 FEBDLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444670903 560117962 /nfs/dbraw/zinc/11/79/62/560117962.db2.gz BLSUWIWTIBSWRS-STQMWFEESA-N 1 2 362.386 2.014 20 5 FEBDLO CC(C)Cn1cc[nH+]c1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000445150980 560129900 /nfs/dbraw/zinc/12/99/00/560129900.db2.gz QAYRYBUMGVUKIE-UHFFFAOYSA-N 1 2 371.401 2.323 20 5 FEBDLO CN(C)c1ccc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c[nH+]1 ZINC000445500084 560132539 /nfs/dbraw/zinc/13/25/39/560132539.db2.gz XUINHWGLOLSKKP-UHFFFAOYSA-N 1 2 355.398 2.324 20 5 FEBDLO C[C@H]([NH2+]Cc1nnnn1CCOCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000447316125 560160071 /nfs/dbraw/zinc/16/00/71/560160071.db2.gz WCUUQVRZFKMYRD-JTQLQIEISA-N 1 2 374.323 2.011 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000447659042 560166164 /nfs/dbraw/zinc/16/61/64/560166164.db2.gz ADEHHAZUYFEGOK-KGLIPLIRSA-N 1 2 367.471 2.255 20 5 FEBDLO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCCNc1cccc[nH+]1 ZINC000447800816 560169419 /nfs/dbraw/zinc/16/94/19/560169419.db2.gz XTSWJFZICDPBQS-UHFFFAOYSA-N 1 2 357.414 2.346 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@H](O)Cc1ccccc1 ZINC000447812403 560169827 /nfs/dbraw/zinc/16/98/27/560169827.db2.gz LTWVJZAJENFSJE-GOSISDBHSA-N 1 2 371.437 2.443 20 5 FEBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449649899 560235467 /nfs/dbraw/zinc/23/54/67/560235467.db2.gz JZQABOJJUNJSMI-GHMZBOCLSA-N 1 2 359.398 2.436 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC2(C1)CCOCC2 ZINC000450002368 560247845 /nfs/dbraw/zinc/24/78/45/560247845.db2.gz HQZSJWAOYAKWTO-UHFFFAOYSA-N 1 2 356.382 2.423 20 5 FEBDLO CCOCCO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450204289 560253907 /nfs/dbraw/zinc/25/39/07/560253907.db2.gz ZOUWORVOKOISCP-HNNXBMFYSA-N 1 2 374.397 2.048 20 5 FEBDLO CCN(CC)C(=O)C[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450226304 560254640 /nfs/dbraw/zinc/25/46/40/560254640.db2.gz DVCFTOGCKHXKRF-UHFFFAOYSA-N 1 2 371.441 2.133 20 5 FEBDLO CC(C)[C@@H](O)C1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450418761 560261770 /nfs/dbraw/zinc/26/17/70/560261770.db2.gz MVLZDCQAOIHPSW-MRXNPFEDSA-N 1 2 358.398 2.307 20 5 FEBDLO O=C(N[C@@H](CO)CC1CCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450455319 560262871 /nfs/dbraw/zinc/26/28/71/560262871.db2.gz UMZTWHAQZJZWAT-OAHLLOKOSA-N 1 2 358.398 2.452 20 5 FEBDLO CC(C)(C)n1cnc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000450566015 560266415 /nfs/dbraw/zinc/26/64/15/560266415.db2.gz QWHFPYZLPWKKQB-UHFFFAOYSA-N 1 2 355.358 2.379 20 5 FEBDLO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO[C@H]1C1CC1 ZINC000450824117 560274797 /nfs/dbraw/zinc/27/47/97/560274797.db2.gz WADWHOWNHGUBNR-WMZOPIPTSA-N 1 2 356.382 2.468 20 5 FEBDLO C[C@H]([NH2+]Cc1nnnn1CCOCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000451102461 560287258 /nfs/dbraw/zinc/28/72/58/560287258.db2.gz JNQFLNZHAOVWIU-JTQLQIEISA-N 1 2 374.323 2.011 20 5 FEBDLO CC(C)[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC[N@@H+]1C ZINC000451381124 560303485 /nfs/dbraw/zinc/30/34/85/560303485.db2.gz YZCOOIIDJLMRRO-KRWDZBQOSA-N 1 2 357.414 2.397 20 5 FEBDLO CC(C)[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC[N@H+]1C ZINC000451381124 560303486 /nfs/dbraw/zinc/30/34/86/560303486.db2.gz YZCOOIIDJLMRRO-KRWDZBQOSA-N 1 2 357.414 2.397 20 5 FEBDLO COCCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CCO[C@H]1C ZINC000451472739 560309119 /nfs/dbraw/zinc/30/91/19/560309119.db2.gz UBOXJWAFSXQGFR-ZFWWWQNUSA-N 1 2 374.397 2.047 20 5 FEBDLO CCO[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000451546482 560313704 /nfs/dbraw/zinc/31/37/04/560313704.db2.gz SDQXUNGHMASWAA-WFASDCNBSA-N 1 2 351.403 2.289 20 5 FEBDLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000451546482 560313705 /nfs/dbraw/zinc/31/37/05/560313705.db2.gz SDQXUNGHMASWAA-WFASDCNBSA-N 1 2 351.403 2.289 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000451692574 560322192 /nfs/dbraw/zinc/32/21/92/560322192.db2.gz UPFVNASKULMDKX-CQSZACIVSA-N 1 2 364.427 2.409 20 5 FEBDLO O=C(NCC(F)F)[C@@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000451792577 560328683 /nfs/dbraw/zinc/32/86/83/560328683.db2.gz BRXSSUZJVYHUNA-AWEZNQCLSA-N 1 2 357.357 2.209 20 5 FEBDLO O=C(NCC(F)F)[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000451792577 560328684 /nfs/dbraw/zinc/32/86/84/560328684.db2.gz BRXSSUZJVYHUNA-AWEZNQCLSA-N 1 2 357.357 2.209 20 5 FEBDLO Cc1cnn([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)C2)c1 ZINC000451875262 560333882 /nfs/dbraw/zinc/33/38/82/560333882.db2.gz ZQTJOLSWWXNWSI-HNNXBMFYSA-N 1 2 366.381 2.373 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)c1[N+](=O)[O-] ZINC000451947010 560339973 /nfs/dbraw/zinc/33/99/73/560339973.db2.gz OECIBYNYKLWOJO-RYUDHWBXSA-N 1 2 350.400 2.392 20 5 FEBDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 ZINC000451967357 560341022 /nfs/dbraw/zinc/34/10/22/560341022.db2.gz GWCUCBOLRBLMQP-ZDUSSCGKSA-N 1 2 355.460 2.316 20 5 FEBDLO COc1ccc(N2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC)CC2)nc1 ZINC000452049932 560348094 /nfs/dbraw/zinc/34/80/94/560348094.db2.gz QDTRFWHUMSEEBD-UHFFFAOYSA-N 1 2 358.398 2.329 20 5 FEBDLO O=C(NCC1(CF)CCOCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000452799653 560374545 /nfs/dbraw/zinc/37/45/45/560374545.db2.gz VSPAWVGDHIBIEV-UHFFFAOYSA-N 1 2 362.361 2.277 20 5 FEBDLO Cc1cccn2c(CN3CCN(c4ncccc4[N+](=O)[O-])CC3)c[nH+]c12 ZINC000453574398 560389107 /nfs/dbraw/zinc/38/91/07/560389107.db2.gz JCXKAECQCJMFHI-UHFFFAOYSA-N 1 2 352.398 2.268 20 5 FEBDLO C[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000454535114 560448603 /nfs/dbraw/zinc/44/86/03/560448603.db2.gz FKCHGUQYWRXQEX-IHRRRGAJSA-N 1 2 350.419 2.064 20 5 FEBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H]2COC[C@@H]21 ZINC000457073804 560546928 /nfs/dbraw/zinc/54/69/28/560546928.db2.gz UBHDZESYHBBQMX-XJKSGUPXSA-N 1 2 356.382 2.278 20 5 FEBDLO C[NH+]1CCC(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000461870193 560785865 /nfs/dbraw/zinc/78/58/65/560785865.db2.gz WKDJQWJMYSSFID-UHFFFAOYSA-N 1 2 368.242 2.274 20 5 FEBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463888041 560827941 /nfs/dbraw/zinc/82/79/41/560827941.db2.gz LUVTTZIWQXFIKP-SNVBAGLBSA-N 1 2 361.320 2.064 20 5 FEBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463888041 560827943 /nfs/dbraw/zinc/82/79/43/560827943.db2.gz LUVTTZIWQXFIKP-SNVBAGLBSA-N 1 2 361.320 2.064 20 5 FEBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[NH+](CCc2ccccc2)CC1 ZINC000469446629 560955591 /nfs/dbraw/zinc/95/55/91/560955591.db2.gz QRKKYNOOIMPKLV-UHFFFAOYSA-N 1 2 355.394 2.301 20 5 FEBDLO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469510259 560956689 /nfs/dbraw/zinc/95/66/89/560956689.db2.gz JSSUUCXHNOVCBS-UHFFFAOYSA-N 1 2 355.394 2.479 20 5 FEBDLO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469510259 560956690 /nfs/dbraw/zinc/95/66/90/560956690.db2.gz JSSUUCXHNOVCBS-UHFFFAOYSA-N 1 2 355.394 2.479 20 5 FEBDLO COc1ccc(-c2ccc(C[N@@H+]3C[C@H](C)O[C@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000470134392 560975104 /nfs/dbraw/zinc/97/51/04/560975104.db2.gz PYRYEIKEGISNNK-WFASDCNBSA-N 1 2 362.382 2.445 20 5 FEBDLO COc1ccc(-c2ccc(C[N@H+]3C[C@H](C)O[C@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000470134392 560975105 /nfs/dbraw/zinc/97/51/05/560975105.db2.gz PYRYEIKEGISNNK-WFASDCNBSA-N 1 2 362.382 2.445 20 5 FEBDLO CN(Cc1c([N+](=O)[O-])ncn1C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000470821707 560990565 /nfs/dbraw/zinc/99/05/65/560990565.db2.gz HPNMBQFTSKWXMG-STQMWFEESA-N 1 2 367.450 2.434 20 5 FEBDLO CN(Cc1c([N+](=O)[O-])ncn1C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000470821707 560990566 /nfs/dbraw/zinc/99/05/66/560990566.db2.gz HPNMBQFTSKWXMG-STQMWFEESA-N 1 2 367.450 2.434 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000470821707 560990567 /nfs/dbraw/zinc/99/05/67/560990567.db2.gz HPNMBQFTSKWXMG-STQMWFEESA-N 1 2 367.450 2.434 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000470821707 560990568 /nfs/dbraw/zinc/99/05/68/560990568.db2.gz HPNMBQFTSKWXMG-STQMWFEESA-N 1 2 367.450 2.434 20 5 FEBDLO Cn1cc(CCCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])cn1 ZINC000472369861 561025190 /nfs/dbraw/zinc/02/51/90/561025190.db2.gz OTTINBLDFMRDCY-UHFFFAOYSA-N 1 2 359.430 2.205 20 5 FEBDLO CCN1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000474841373 561084031 /nfs/dbraw/zinc/08/40/31/561084031.db2.gz MBYOZQAVSYULLF-INIZCTEOSA-N 1 2 372.429 2.215 20 5 FEBDLO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC(n2cc[nH+]c2)C1 ZINC000530949503 562429611 /nfs/dbraw/zinc/42/96/11/562429611.db2.gz YWWGRHGHOVWVCO-UHFFFAOYSA-N 1 2 351.160 2.251 20 5 FEBDLO Cc1cc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)ncc1[N+](=O)[O-] ZINC000531066501 562433734 /nfs/dbraw/zinc/43/37/34/562433734.db2.gz XRDGBNCJZZYITQ-UHFFFAOYSA-N 1 2 370.409 2.392 20 5 FEBDLO O=C(NCc1[nH+]ccn1CCc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000532399922 562476487 /nfs/dbraw/zinc/47/64/87/562476487.db2.gz DVNMOQVSZQTRAT-UHFFFAOYSA-N 1 2 351.366 2.359 20 5 FEBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(CCO)CC2)c([N+](=O)[O-])c1 ZINC000532958503 562493935 /nfs/dbraw/zinc/49/39/35/562493935.db2.gz PYHPMMGAIDNGBB-UHFFFAOYSA-N 1 2 351.403 2.026 20 5 FEBDLO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])c1 ZINC000181936653 568232299 /nfs/dbraw/zinc/23/22/99/568232299.db2.gz PXCKLXQUVASKEY-NSHDSACASA-N 1 2 367.402 2.493 20 5 FEBDLO CCCc1ncc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000569475909 568401988 /nfs/dbraw/zinc/40/19/88/568401988.db2.gz OPDRBEBOHCWKNK-UHFFFAOYSA-N 1 2 353.400 2.099 20 5 FEBDLO CN(Cc1[nH+]ccn1C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569753994 568421201 /nfs/dbraw/zinc/42/12/01/568421201.db2.gz BSJRAUPJHDBUFU-UHFFFAOYSA-N 1 2 356.386 2.194 20 5 FEBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000569964238 568444840 /nfs/dbraw/zinc/44/48/40/568444840.db2.gz KMELYUJDYQIRTP-ZDUSSCGKSA-N 1 2 362.430 2.166 20 5 FEBDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000569964238 568444841 /nfs/dbraw/zinc/44/48/41/568444841.db2.gz KMELYUJDYQIRTP-ZDUSSCGKSA-N 1 2 362.430 2.166 20 5 FEBDLO Cc1[nH+]c2cc(Nc3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])ccc2n1C ZINC000822458913 606714017 /nfs/dbraw/zinc/71/40/17/606714017.db2.gz ITTHWXSZVXJBCI-UHFFFAOYSA-N 1 2 351.330 2.109 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1 ZINC000815142599 674923618 /nfs/dbraw/zinc/92/36/18/674923618.db2.gz WGRXJOGMZWHQLN-CQSZACIVSA-N 1 2 351.794 2.169 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1 ZINC000815142599 674923620 /nfs/dbraw/zinc/92/36/20/674923620.db2.gz WGRXJOGMZWHQLN-CQSZACIVSA-N 1 2 351.794 2.169 20 5 FEBDLO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000054549235 670339097 /nfs/dbraw/zinc/33/90/97/670339097.db2.gz MTPFNYZQRDOTJR-LLVKDONJSA-N 1 2 364.793 2.148 20 5 FEBDLO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000054549235 670339101 /nfs/dbraw/zinc/33/91/01/670339101.db2.gz MTPFNYZQRDOTJR-LLVKDONJSA-N 1 2 364.793 2.148 20 5 FEBDLO CCc1ccc(S(=O)(=O)Nc2cc(C[NH+](C)C)ccn2)cc1[N+](=O)[O-] ZINC000574158918 671209778 /nfs/dbraw/zinc/20/97/78/671209778.db2.gz VOQWQEKKLDRBIT-UHFFFAOYSA-N 1 2 364.427 2.415 20 5 FEBDLO C[N@H+](CCN1CCCC1=O)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000578065626 671637978 /nfs/dbraw/zinc/63/79/78/671637978.db2.gz ZWMWJHTZVGJAJA-UHFFFAOYSA-N 1 2 356.220 2.412 20 5 FEBDLO C[N@@H+](CCN1CCCC1=O)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000578065626 671637979 /nfs/dbraw/zinc/63/79/79/671637979.db2.gz ZWMWJHTZVGJAJA-UHFFFAOYSA-N 1 2 356.220 2.412 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCCCn2cc[nH+]c2)c1C ZINC000582019909 671959436 /nfs/dbraw/zinc/95/94/36/671959436.db2.gz HOSVPSOBDBQOBX-UHFFFAOYSA-N 1 2 352.416 2.167 20 5 FEBDLO C[C@H](CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[S@@](C)=O ZINC000582980432 672051915 /nfs/dbraw/zinc/05/19/15/672051915.db2.gz HBGMOUBPDGURKK-BKNZZOIVSA-N 1 2 350.444 2.164 20 5 FEBDLO Cc1cccn2cc(CCNS(=O)(=O)c3ccc([N+](=O)[O-])s3)[nH+]c12 ZINC000610471348 675973967 /nfs/dbraw/zinc/97/39/67/675973967.db2.gz QLILSHRUJJAHLF-UHFFFAOYSA-N 1 2 366.424 2.133 20 5 FEBDLO C[N@H+](CC(=O)N1CCCC1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000157799018 672262743 /nfs/dbraw/zinc/26/27/43/672262743.db2.gz IFTNFSSGCAWOTK-UHFFFAOYSA-N 1 2 356.220 2.412 20 5 FEBDLO C[N@@H+](CC(=O)N1CCCC1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000157799018 672262744 /nfs/dbraw/zinc/26/27/44/672262744.db2.gz IFTNFSSGCAWOTK-UHFFFAOYSA-N 1 2 356.220 2.412 20 5 FEBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000587056868 672440402 /nfs/dbraw/zinc/44/04/02/672440402.db2.gz OVQPAPMKYYKAKY-SNVBAGLBSA-N 1 2 352.297 2.138 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000588972927 672497078 /nfs/dbraw/zinc/49/70/78/672497078.db2.gz VADHAQWVVDIORO-GFCCVEGCSA-N 1 2 371.434 2.028 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000588972927 672497082 /nfs/dbraw/zinc/49/70/82/672497082.db2.gz VADHAQWVVDIORO-GFCCVEGCSA-N 1 2 371.434 2.028 20 5 FEBDLO C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000590680668 672600970 /nfs/dbraw/zinc/60/09/70/672600970.db2.gz RUJKBSZVOYOCIJ-RNCFNFMXSA-N 1 2 361.320 2.063 20 5 FEBDLO C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000590680668 672600972 /nfs/dbraw/zinc/60/09/72/672600972.db2.gz RUJKBSZVOYOCIJ-RNCFNFMXSA-N 1 2 361.320 2.063 20 5 FEBDLO CC(C)=CCC[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000595289895 673216895 /nfs/dbraw/zinc/21/68/95/673216895.db2.gz RFBYQDKCJZWZPF-UHFFFAOYSA-N 1 2 353.444 2.257 20 5 FEBDLO Cn1ncc(C(F)(F)F)c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000597119125 673449580 /nfs/dbraw/zinc/44/95/80/673449580.db2.gz QUVUGJLYUQZFPA-UHFFFAOYSA-N 1 2 358.324 2.381 20 5 FEBDLO COC(=O)c1ccnc(N2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000598585424 673586737 /nfs/dbraw/zinc/58/67/37/673586737.db2.gz CZTOOUMNJRZTQP-UHFFFAOYSA-N 1 2 362.411 2.160 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598617238 673591087 /nfs/dbraw/zinc/59/10/87/673591087.db2.gz RFKGVTFMLJQRMX-AWEZNQCLSA-N 1 2 355.460 2.172 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598617238 673591088 /nfs/dbraw/zinc/59/10/88/673591088.db2.gz RFKGVTFMLJQRMX-AWEZNQCLSA-N 1 2 355.460 2.172 20 5 FEBDLO COCC1(C)CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000544115844 673691708 /nfs/dbraw/zinc/69/17/08/673691708.db2.gz BCONCCPUZVRUCB-UHFFFAOYSA-N 1 2 356.444 2.117 20 5 FEBDLO CSC1CC[NH+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000602920319 673913922 /nfs/dbraw/zinc/91/39/22/673913922.db2.gz ATYXCSKTHXXDEY-UHFFFAOYSA-N 1 2 353.400 2.089 20 5 FEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](n3cncn3)C2)c1Br ZINC000839563969 680761989 /nfs/dbraw/zinc/76/19/89/680761989.db2.gz LRPNSBKDUPOZEX-LLVKDONJSA-N 1 2 352.192 2.396 20 5 FEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](n3cncn3)C2)c1Br ZINC000839563969 680761991 /nfs/dbraw/zinc/76/19/91/680761991.db2.gz LRPNSBKDUPOZEX-LLVKDONJSA-N 1 2 352.192 2.396 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000981136654 680217117 /nfs/dbraw/zinc/21/71/17/680217117.db2.gz CIWGGMOYNWMTLH-IUODEOHRSA-N 1 2 355.797 2.179 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000981136654 680217121 /nfs/dbraw/zinc/21/71/21/680217121.db2.gz CIWGGMOYNWMTLH-IUODEOHRSA-N 1 2 355.797 2.179 20 5 FEBDLO COc1ccc(CSCC(=O)OCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000754686190 680371196 /nfs/dbraw/zinc/37/11/96/680371196.db2.gz ZEHZXYPRHMYVCI-UHFFFAOYSA-N 1 2 351.384 2.314 20 5 FEBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC(n2cc[nH+]c2)C1 ZINC000755011272 680393863 /nfs/dbraw/zinc/39/38/63/680393863.db2.gz HYVFNEXJTGXQMQ-UHFFFAOYSA-N 1 2 369.150 2.390 20 5 FEBDLO CC[C@H]1C[N@H+](Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000756908553 680504496 /nfs/dbraw/zinc/50/44/96/680504496.db2.gz HKJZGWYBQVJAMS-JSGCOSHPSA-N 1 2 353.423 2.374 20 5 FEBDLO CC[C@H]1C[N@@H+](Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000756908553 680504500 /nfs/dbraw/zinc/50/45/00/680504500.db2.gz HKJZGWYBQVJAMS-JSGCOSHPSA-N 1 2 353.423 2.374 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)C[NH+]2CCOCC2)cc1Cl ZINC000841331060 680873428 /nfs/dbraw/zinc/87/34/28/680873428.db2.gz HAGUERYNMIIYBV-UHFFFAOYSA-N 1 2 355.822 2.397 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)N2CC[N@@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000766856900 680890440 /nfs/dbraw/zinc/89/04/40/680890440.db2.gz PMVAZPURFDAAKY-UHFFFAOYSA-N 1 2 361.851 2.271 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)N2CC[N@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000766856900 680890441 /nfs/dbraw/zinc/89/04/41/680890441.db2.gz PMVAZPURFDAAKY-UHFFFAOYSA-N 1 2 361.851 2.271 20 5 FEBDLO C[C@@H](c1nccs1)N1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000767000152 680896221 /nfs/dbraw/zinc/89/62/21/680896221.db2.gz AOTCPCMOMABTLM-XJKSGUPXSA-N 1 2 362.455 2.464 20 5 FEBDLO O=[N+]([O-])c1nn(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1Br ZINC000842616417 680954788 /nfs/dbraw/zinc/95/47/88/680954788.db2.gz ORKHBVBJSUELDT-JQWIXIFHSA-N 1 2 359.224 2.402 20 5 FEBDLO O=[N+]([O-])c1nn(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1Br ZINC000842616417 680954789 /nfs/dbraw/zinc/95/47/89/680954789.db2.gz ORKHBVBJSUELDT-JQWIXIFHSA-N 1 2 359.224 2.402 20 5 FEBDLO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844760615 681080469 /nfs/dbraw/zinc/08/04/69/681080469.db2.gz XEMACIISHNKRPF-CABCVRRESA-N 1 2 353.325 2.221 20 5 FEBDLO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844760615 681080472 /nfs/dbraw/zinc/08/04/72/681080472.db2.gz XEMACIISHNKRPF-CABCVRRESA-N 1 2 353.325 2.221 20 5 FEBDLO COC[C@@H]1CC[C@@H]([C@@H]2COCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)O1 ZINC000933199217 681374470 /nfs/dbraw/zinc/37/44/70/681374470.db2.gz HSKDGJPAADQGCU-BZSNNMDCSA-N 1 2 350.415 2.032 20 5 FEBDLO COC[C@@H]1CC[C@@H]([C@@H]2COCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)O1 ZINC000933199217 681374474 /nfs/dbraw/zinc/37/44/74/681374474.db2.gz HSKDGJPAADQGCU-BZSNNMDCSA-N 1 2 350.415 2.032 20 5 FEBDLO C[C@@H]1[C@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)CCN1C(=O)OC(C)(C)C ZINC000776606320 681415392 /nfs/dbraw/zinc/41/53/92/681415392.db2.gz JRXYJWIBPUCCBY-QWHCGFSZSA-N 1 2 353.423 2.121 20 5 FEBDLO C[C@@H]1[C@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCN1C(=O)OC(C)(C)C ZINC000776606320 681415395 /nfs/dbraw/zinc/41/53/95/681415395.db2.gz JRXYJWIBPUCCBY-QWHCGFSZSA-N 1 2 353.423 2.121 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000779920082 681771031 /nfs/dbraw/zinc/77/10/31/681771031.db2.gz BIGFDOOKXATJIT-WDEREUQCSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000779920082 681771038 /nfs/dbraw/zinc/77/10/38/681771038.db2.gz BIGFDOOKXATJIT-WDEREUQCSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)cc1Cl ZINC000913459976 685477856 /nfs/dbraw/zinc/47/78/56/685477856.db2.gz JOWNERBHHQKIFN-AWEZNQCLSA-N 1 2 363.805 2.077 20 5 FEBDLO O=C(OCCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000784448302 682227612 /nfs/dbraw/zinc/22/76/12/682227612.db2.gz QASXKSFZQVDLFW-UHFFFAOYSA-N 1 2 351.384 2.123 20 5 FEBDLO C[C@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000854097244 682512632 /nfs/dbraw/zinc/51/26/32/682512632.db2.gz GHTYSUQMYYGUTK-MCIONIFRSA-N 1 2 350.419 2.064 20 5 FEBDLO C[C@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000854097244 682512633 /nfs/dbraw/zinc/51/26/33/682512633.db2.gz GHTYSUQMYYGUTK-MCIONIFRSA-N 1 2 350.419 2.064 20 5 FEBDLO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CCC[C@@H](OCCO)C2)c1 ZINC000929653112 683623229 /nfs/dbraw/zinc/62/32/29/683623229.db2.gz GLXGMYMFAQMRIQ-CYBMUJFWSA-N 1 2 359.220 2.331 20 5 FEBDLO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CCC[C@@H](OCCO)C2)c1 ZINC000929653112 683623230 /nfs/dbraw/zinc/62/32/30/683623230.db2.gz GLXGMYMFAQMRIQ-CYBMUJFWSA-N 1 2 359.220 2.331 20 5 FEBDLO COC1(OC)CCOC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000931668568 684324479 /nfs/dbraw/zinc/32/44/79/684324479.db2.gz SHYIULHRZLMYQD-INIZCTEOSA-N 1 2 354.403 2.250 20 5 FEBDLO C[C@@H](NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000872902123 685031203 /nfs/dbraw/zinc/03/12/03/685031203.db2.gz LHNZTVNMNLXDMH-MGPQQGTHSA-N 1 2 350.419 2.064 20 5 FEBDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)Oc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000881822347 687226635 /nfs/dbraw/zinc/22/66/35/687226635.db2.gz IPRJYWDIWDYSBU-UHFFFAOYSA-N 1 2 366.370 2.490 20 5 FEBDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)Oc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000881822347 687226639 /nfs/dbraw/zinc/22/66/39/687226639.db2.gz IPRJYWDIWDYSBU-UHFFFAOYSA-N 1 2 366.370 2.490 20 5 FEBDLO CC1([NH+]2CCC2)CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000882963980 687535162 /nfs/dbraw/zinc/53/51/62/687535162.db2.gz PABABXBYZUEFST-UHFFFAOYSA-N 1 2 359.473 2.124 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000888288478 688578268 /nfs/dbraw/zinc/57/82/68/688578268.db2.gz NRJWIXPIABTMEX-LLVKDONJSA-N 1 2 356.810 2.399 20 5 FEBDLO COc1c(O)ccc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1[N+](=O)[O-] ZINC000894196597 689484805 /nfs/dbraw/zinc/48/48/05/689484805.db2.gz WMIDUKLMTSDKDY-PXAZEXFGSA-N 1 2 352.387 2.079 20 5 FEBDLO COc1c(O)ccc(C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1[N+](=O)[O-] ZINC000894196597 689484808 /nfs/dbraw/zinc/48/48/08/689484808.db2.gz WMIDUKLMTSDKDY-PXAZEXFGSA-N 1 2 352.387 2.079 20 5 FEBDLO C[C@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000900592643 690535941 /nfs/dbraw/zinc/53/59/41/690535941.db2.gz KRIVJJWPGITMBK-UWVGGRQHSA-N 1 2 359.785 2.226 20 5 FEBDLO C/C(=C\C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000901349807 690638702 /nfs/dbraw/zinc/63/87/02/690638702.db2.gz IGGHURDEMINBJL-JLHYYAGUSA-N 1 2 367.833 2.185 20 5 FEBDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000015572914 539620365 /nfs/dbraw/zinc/62/03/65/539620365.db2.gz FZSUZKRLGVUVAF-IAGOWNOFSA-N 1 2 374.485 2.217 20 5 FEBDLO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000015572914 539620369 /nfs/dbraw/zinc/62/03/69/539620369.db2.gz FZSUZKRLGVUVAF-IAGOWNOFSA-N 1 2 374.485 2.217 20 5 FEBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000030296324 539878245 /nfs/dbraw/zinc/87/82/45/539878245.db2.gz GETCOBWDWHJYDZ-UHFFFAOYSA-N 1 2 371.353 2.428 20 5 FEBDLO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2 ZINC000030766215 539890533 /nfs/dbraw/zinc/89/05/33/539890533.db2.gz DNDHLGFZJPPJFR-UHFFFAOYSA-N 1 2 371.393 2.269 20 5 FEBDLO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2 ZINC000030766215 539890535 /nfs/dbraw/zinc/89/05/35/539890535.db2.gz DNDHLGFZJPPJFR-UHFFFAOYSA-N 1 2 371.393 2.269 20 5 FEBDLO Cc1ccc(NC(=O)C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000030542426 539884940 /nfs/dbraw/zinc/88/49/40/539884940.db2.gz IVBPYSFEPLFAIB-QGZVFWFLSA-N 1 2 373.409 2.213 20 5 FEBDLO Cc1ccc(NC(=O)C[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000030542426 539884945 /nfs/dbraw/zinc/88/49/45/539884945.db2.gz IVBPYSFEPLFAIB-QGZVFWFLSA-N 1 2 373.409 2.213 20 5 FEBDLO CC1CCC(NC(=O)C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000030910244 539893886 /nfs/dbraw/zinc/89/38/86/539893886.db2.gz KCMCRCSRCPBZFG-UHFFFAOYSA-N 1 2 360.458 2.412 20 5 FEBDLO C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000032430058 539938594 /nfs/dbraw/zinc/93/85/94/539938594.db2.gz FRCYDENDFGPXMG-MELADBBJSA-N 1 2 367.471 2.301 20 5 FEBDLO C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000032430058 539938599 /nfs/dbraw/zinc/93/85/99/539938599.db2.gz FRCYDENDFGPXMG-MELADBBJSA-N 1 2 367.471 2.301 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2ccc[nH+]c2N(C)C)c1C ZINC000032437995 539939622 /nfs/dbraw/zinc/93/96/22/539939622.db2.gz VUEPHZINQGZVNY-UHFFFAOYSA-N 1 2 364.427 2.151 20 5 FEBDLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000033237562 539972202 /nfs/dbraw/zinc/97/22/02/539972202.db2.gz APVVWOUOFMOAAM-UHFFFAOYSA-N 1 2 370.409 2.347 20 5 FEBDLO Cc1nn(C[N@@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000800855483 674083218 /nfs/dbraw/zinc/08/32/18/674083218.db2.gz FKJXUVVVJOCMAF-MRXNPFEDSA-N 1 2 353.423 2.294 20 5 FEBDLO Cc1nn(C[N@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000800855483 674083219 /nfs/dbraw/zinc/08/32/19/674083219.db2.gz FKJXUVVVJOCMAF-MRXNPFEDSA-N 1 2 353.423 2.294 20 5 FEBDLO CCc1cc(N(C)CCS(C)(=O)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000076270304 542252895 /nfs/dbraw/zinc/25/28/95/542252895.db2.gz AKWKOJHQIBVLHC-UHFFFAOYSA-N 1 2 364.427 2.095 20 5 FEBDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000044448666 540127345 /nfs/dbraw/zinc/12/73/45/540127345.db2.gz GFOAARJISMUCGN-UHFFFAOYSA-N 1 2 358.398 2.466 20 5 FEBDLO CCOC(=O)N[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000052868081 540496407 /nfs/dbraw/zinc/49/64/07/540496407.db2.gz LKGLITVJLATSQJ-CYBMUJFWSA-N 1 2 364.402 2.052 20 5 FEBDLO CCOC(=O)N[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000052868081 540496409 /nfs/dbraw/zinc/49/64/09/540496409.db2.gz LKGLITVJLATSQJ-CYBMUJFWSA-N 1 2 364.402 2.052 20 5 FEBDLO O=[N+]([O-])c1cc(C[NH+]2CCN(c3nccs3)CC2)c2c(c1)COCO2 ZINC000054620646 540599360 /nfs/dbraw/zinc/59/93/60/540599360.db2.gz DLDNEXSYJPTMDT-UHFFFAOYSA-N 1 2 362.411 2.240 20 5 FEBDLO Cc1noc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000054677235 540601745 /nfs/dbraw/zinc/60/17/45/540601745.db2.gz PUNQKKVAPPQOKT-AAEUAGOBSA-N 1 2 359.386 2.493 20 5 FEBDLO Cc1noc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000054677235 540601748 /nfs/dbraw/zinc/60/17/48/540601748.db2.gz PUNQKKVAPPQOKT-AAEUAGOBSA-N 1 2 359.386 2.493 20 5 FEBDLO CCC[C@@H](C)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000055104398 540628845 /nfs/dbraw/zinc/62/88/45/540628845.db2.gz GMAZVVCNPAZXLT-CYBMUJFWSA-N 1 2 370.475 2.131 20 5 FEBDLO O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)NC1CC1 ZINC000057128497 540770711 /nfs/dbraw/zinc/77/07/11/540770711.db2.gz GAWSEUJGWWCJMM-UHFFFAOYSA-N 1 2 372.347 2.014 20 5 FEBDLO O=[N+]([O-])c1c(N2CC[NH+](Cc3cccc(O)c3)CC2)nc2sccn21 ZINC000060349547 541106581 /nfs/dbraw/zinc/10/65/81/541106581.db2.gz QPQOIEZRTXSHRW-UHFFFAOYSA-N 1 2 359.411 2.332 20 5 FEBDLO Cc1sc(C(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC000065758290 541258557 /nfs/dbraw/zinc/25/85/57/541258557.db2.gz CMLYUUKLYMOMAJ-UHFFFAOYSA-N 1 2 353.404 2.074 20 5 FEBDLO O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000065781517 541261247 /nfs/dbraw/zinc/26/12/47/541261247.db2.gz BVQURIVBXJZEAA-UHFFFAOYSA-N 1 2 372.429 2.273 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000067053383 541410906 /nfs/dbraw/zinc/41/09/06/541410906.db2.gz OZRVZSWNGIQBDF-CQSZACIVSA-N 1 2 370.409 2.453 20 5 FEBDLO COc1ccc(C[N@@H+]2CCC[C@H]2C(=O)N2CCSCC2)cc1[N+](=O)[O-] ZINC000067117968 541419924 /nfs/dbraw/zinc/41/99/24/541419924.db2.gz NEXROODUICDBHW-AWEZNQCLSA-N 1 2 365.455 2.143 20 5 FEBDLO COc1ccc(C[N@H+]2CCC[C@H]2C(=O)N2CCSCC2)cc1[N+](=O)[O-] ZINC000067117968 541419926 /nfs/dbraw/zinc/41/99/26/541419926.db2.gz NEXROODUICDBHW-AWEZNQCLSA-N 1 2 365.455 2.143 20 5 FEBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000068419417 541589152 /nfs/dbraw/zinc/58/91/52/541589152.db2.gz IVPLMCCDDXGCOK-UHFFFAOYSA-N 1 2 355.394 2.357 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000072631107 541840928 /nfs/dbraw/zinc/84/09/28/541840928.db2.gz QWTNNSRZWRULDQ-INIZCTEOSA-N 1 2 374.441 2.319 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000072631107 541840932 /nfs/dbraw/zinc/84/09/32/541840932.db2.gz QWTNNSRZWRULDQ-INIZCTEOSA-N 1 2 374.441 2.319 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC2(C1)CCOCC2 ZINC000075346420 542171602 /nfs/dbraw/zinc/17/16/02/542171602.db2.gz SDGOXYMIPWAYER-UHFFFAOYSA-N 1 2 356.382 2.423 20 5 FEBDLO CCC(=O)N1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000077387578 542376280 /nfs/dbraw/zinc/37/62/80/542376280.db2.gz QJGKQEXIKJIBOG-UHFFFAOYSA-N 1 2 368.821 2.131 20 5 FEBDLO CCC(=O)N1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000077387578 542376283 /nfs/dbraw/zinc/37/62/83/542376283.db2.gz QJGKQEXIKJIBOG-UHFFFAOYSA-N 1 2 368.821 2.131 20 5 FEBDLO Cc1ccn2cc(CNS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)[nH+]c2c1 ZINC000079911673 542550154 /nfs/dbraw/zinc/55/01/54/542550154.db2.gz KGCVIFPCXVAXFX-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO Cc1cccn2cc(CCNS(=O)(=O)c3ccccc3[N+](=O)[O-])[nH+]c12 ZINC000080786892 542608648 /nfs/dbraw/zinc/60/86/48/542608648.db2.gz ASISJFAVFCUIET-UHFFFAOYSA-N 1 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C[N@@H+](CC(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000103201134 543097109 /nfs/dbraw/zinc/09/71/09/543097109.db2.gz SFJPDQQERQHTKX-UHFFFAOYSA-N 1 2 366.381 2.450 20 5 FEBDLO O=C(NCc1cn2ccccc2[nH+]1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000116019933 543596121 /nfs/dbraw/zinc/59/61/21/543596121.db2.gz DOUXPATUZKYVMJ-UHFFFAOYSA-N 1 2 362.349 2.358 20 5 FEBDLO Cc1cc(N2CCOC[C@@H]2C[C@@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000130014386 544135172 /nfs/dbraw/zinc/13/51/72/544135172.db2.gz ORLRQXJKIWXMAW-CJNGLKHVSA-N 1 2 358.398 2.336 20 5 FEBDLO O=C(C[N@@H+]1CC[C@@H](Oc2ccncc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000154120360 544866898 /nfs/dbraw/zinc/86/68/98/544866898.db2.gz DDZPSQLOUPMEJE-QGZVFWFLSA-N 1 2 368.393 2.032 20 5 FEBDLO O=C(C[N@H+]1CC[C@@H](Oc2ccncc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000154120360 544866900 /nfs/dbraw/zinc/86/69/00/544866900.db2.gz DDZPSQLOUPMEJE-QGZVFWFLSA-N 1 2 368.393 2.032 20 5 FEBDLO CC[N@H+](CC(N)=O)Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000188069349 328063642 /nfs/dbraw/zinc/06/36/42/328063642.db2.gz RWWCXDIHRSTZNO-UHFFFAOYSA-N 1 2 373.409 2.490 20 5 FEBDLO CC[N@@H+](CC(N)=O)Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000188069349 328063644 /nfs/dbraw/zinc/06/36/44/328063644.db2.gz RWWCXDIHRSTZNO-UHFFFAOYSA-N 1 2 373.409 2.490 20 5 FEBDLO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H](O)C(F)(F)F ZINC000189519761 328152562 /nfs/dbraw/zinc/15/25/62/328152562.db2.gz JLHLXKYCTFCFKG-NSHDSACASA-N 1 2 360.292 2.390 20 5 FEBDLO CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H](O)C(F)(F)F ZINC000189519761 328152563 /nfs/dbraw/zinc/15/25/63/328152563.db2.gz JLHLXKYCTFCFKG-NSHDSACASA-N 1 2 360.292 2.390 20 5 FEBDLO COC(=O)[C@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191201368 328253721 /nfs/dbraw/zinc/25/37/21/328253721.db2.gz QLXOSSODZBHFSB-XNRPHZJLSA-N 1 2 372.381 2.418 20 5 FEBDLO COC(=O)[C@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191201368 328253722 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XKTCLNILBMOHGK-UHFFFAOYSA-N 1 2 359.382 2.404 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)NCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000091212704 325380064 /nfs/dbraw/zinc/38/00/64/325380064.db2.gz CZEYUHKTNMZYAB-UHFFFAOYSA-N 1 2 358.807 2.122 20 5 FEBDLO Cc1cc(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000114800755 325922304 /nfs/dbraw/zinc/92/23/04/325922304.db2.gz NVYUFHGQPPDHDG-AWEZNQCLSA-N 1 2 369.425 2.399 20 5 FEBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000119004951 326117517 /nfs/dbraw/zinc/11/75/17/326117517.db2.gz QCBXWVWNCVNWNW-OAHLLOKOSA-N 1 2 355.398 2.110 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1C ZINC000119324214 326149526 /nfs/dbraw/zinc/14/95/26/326149526.db2.gz YSILLKRHMZSJDR-AWEZNQCLSA-N 1 2 367.427 2.386 20 5 FEBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000126088075 326483017 /nfs/dbraw/zinc/48/30/17/326483017.db2.gz LHIGQHOPIHLYKB-AWEZNQCLSA-N 1 2 350.400 2.375 20 5 FEBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000129082905 326534593 /nfs/dbraw/zinc/53/45/93/326534593.db2.gz JKJWKOUQUDCHSU-BVBGJJFLSA-N 1 2 360.458 2.140 20 5 FEBDLO Cc1c(CC(=O)NCc2cccnc2-n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000160898583 326981265 /nfs/dbraw/zinc/98/12/65/326981265.db2.gz MFAXAEQCYIXQHV-UHFFFAOYSA-N 1 2 351.366 2.343 20 5 FEBDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1C(N)=O ZINC000171478672 327142044 /nfs/dbraw/zinc/14/20/44/327142044.db2.gz VCCALZQHAWHNMT-UHFFFAOYSA-N 1 2 365.349 2.440 20 5 FEBDLO O=[N+]([O-])c1ccn(CC[NH+]2CCN(Cc3nc4ccccc4s3)CC2)n1 ZINC000176194740 327439917 /nfs/dbraw/zinc/43/99/17/327439917.db2.gz YMUSBVSTORYQFE-UHFFFAOYSA-N 1 2 372.454 2.219 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000248269732 328712728 /nfs/dbraw/zinc/71/27/28/328712728.db2.gz PTIUUGAUVLWQCT-MRXNPFEDSA-N 1 2 367.471 2.403 20 5 FEBDLO Cc1cc(N2CCC[C@@H](OCCO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000265175284 329098947 /nfs/dbraw/zinc/09/89/47/329098947.db2.gz CIDJCZXUJAUCSF-MRXNPFEDSA-N 1 2 358.398 2.338 20 5 FEBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000265335389 329115828 /nfs/dbraw/zinc/11/58/28/329115828.db2.gz ULXVZHSZQCHCFP-OAHLLOKOSA-N 1 2 370.409 2.274 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000269309678 329506399 /nfs/dbraw/zinc/50/63/99/329506399.db2.gz VGCKZOPEVNKUHZ-JTQLQIEISA-N 1 2 358.807 2.120 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+]CCN1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272513699 329787159 /nfs/dbraw/zinc/78/71/59/329787159.db2.gz JOZJQJWCYYAXGZ-QGZVFWFLSA-N 1 2 373.457 2.118 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000275705636 330079780 /nfs/dbraw/zinc/07/97/80/330079780.db2.gz NMANNNGUIQYRMW-INIZCTEOSA-N 1 2 362.430 2.478 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000275705636 330079782 /nfs/dbraw/zinc/07/97/82/330079782.db2.gz NMANNNGUIQYRMW-INIZCTEOSA-N 1 2 362.430 2.478 20 5 FEBDLO COc1cc[nH+]cc1NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000275717794 330080791 /nfs/dbraw/zinc/08/07/91/330080791.db2.gz MYUMGRMXQCKETM-UHFFFAOYSA-N 1 2 370.365 2.128 20 5 FEBDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000805473192 674338885 /nfs/dbraw/zinc/33/88/85/674338885.db2.gz SNJCJCDXGZDFTF-ZDUSSCGKSA-N 1 2 373.203 2.121 20 5 FEBDLO CC[N@H+]1CCO[C@H](C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000805473192 674338888 /nfs/dbraw/zinc/33/88/88/674338888.db2.gz SNJCJCDXGZDFTF-ZDUSSCGKSA-N 1 2 373.203 2.121 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000156342521 545618716 /nfs/dbraw/zinc/61/87/16/545618716.db2.gz IPGNMBRKWRFHKL-GUYCJALGSA-N 1 2 356.382 2.470 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000156342521 545618718 /nfs/dbraw/zinc/61/87/18/545618718.db2.gz IPGNMBRKWRFHKL-GUYCJALGSA-N 1 2 356.382 2.470 20 5 FEBDLO CC(C)C(=O)NCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000157304030 545725743 /nfs/dbraw/zinc/72/57/43/545725743.db2.gz MGDWQSVGWAOOPS-NSHDSACASA-N 1 2 370.837 2.279 20 5 FEBDLO CC(C)C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000157304030 545725749 /nfs/dbraw/zinc/72/57/49/545725749.db2.gz MGDWQSVGWAOOPS-NSHDSACASA-N 1 2 370.837 2.279 20 5 FEBDLO COc1ccccc1C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000176447758 546448405 /nfs/dbraw/zinc/44/84/05/546448405.db2.gz MRLGDVVLFYZXNA-UHFFFAOYSA-N 1 2 370.409 2.144 20 5 FEBDLO COC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000179120084 546902070 /nfs/dbraw/zinc/90/20/70/546902070.db2.gz XFJQISAXXAEYKA-NSHDSACASA-N 1 2 355.778 2.214 20 5 FEBDLO COC(=O)C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000179120084 546902073 /nfs/dbraw/zinc/90/20/73/546902073.db2.gz XFJQISAXXAEYKA-NSHDSACASA-N 1 2 355.778 2.214 20 5 FEBDLO COCCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000179352820 546937901 /nfs/dbraw/zinc/93/79/01/546937901.db2.gz JEFJWUWHLMWVSC-GJZGRUSLSA-N 1 2 365.430 2.358 20 5 FEBDLO COCCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000179352820 546937906 /nfs/dbraw/zinc/93/79/06/546937906.db2.gz JEFJWUWHLMWVSC-GJZGRUSLSA-N 1 2 365.430 2.358 20 5 FEBDLO COCCO[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000179352365 546938312 /nfs/dbraw/zinc/93/83/12/546938312.db2.gz YLEHRYLMOKXWHD-ZDUSSCGKSA-N 1 2 371.821 2.314 20 5 FEBDLO COCCO[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000179352365 546938316 /nfs/dbraw/zinc/93/83/16/546938316.db2.gz YLEHRYLMOKXWHD-ZDUSSCGKSA-N 1 2 371.821 2.314 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000179989514 547036742 /nfs/dbraw/zinc/03/67/42/547036742.db2.gz QLSCLACXNHBFEE-UHFFFAOYSA-N 1 2 368.349 2.412 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]c(CN3CC[NH+](Cc4cccnc4)CC3)nc2c1 ZINC000482686099 561258504 /nfs/dbraw/zinc/25/85/04/561258504.db2.gz VCEVJOZVUVNFNH-UHFFFAOYSA-N 1 2 352.398 2.184 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182202126 547452480 /nfs/dbraw/zinc/45/24/80/547452480.db2.gz PYOZOSXROHJEFQ-NSHDSACASA-N 1 2 373.862 2.177 20 5 FEBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000182314770 547471831 /nfs/dbraw/zinc/47/18/31/547471831.db2.gz RUJKDQYNFXPZEH-MRXNPFEDSA-N 1 2 367.471 2.421 20 5 FEBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000182314770 547471836 /nfs/dbraw/zinc/47/18/36/547471836.db2.gz RUJKDQYNFXPZEH-MRXNPFEDSA-N 1 2 367.471 2.421 20 5 FEBDLO COc1cc(CN2CCC[C@@H]2C[NH+]2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184224122 547789824 /nfs/dbraw/zinc/78/98/24/547789824.db2.gz PRKRVNUGLXEPKJ-CQSZACIVSA-N 1 2 353.394 2.039 20 5 FEBDLO Cc1cc[nH+]c(C)c1NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000485490491 561320271 /nfs/dbraw/zinc/32/02/71/561320271.db2.gz NHBUUZVZPLIJIB-UHFFFAOYSA-N 1 2 360.395 2.436 20 5 FEBDLO CC(C)(C)Oc1cc(NCCC[N@@H+]2CCNC(=O)C2)ccc1[N+](=O)[O-] ZINC000485960568 561333603 /nfs/dbraw/zinc/33/36/03/561333603.db2.gz VORYKCUXEWSFAH-UHFFFAOYSA-N 1 2 350.419 2.006 20 5 FEBDLO CC(C)(C)Oc1cc(NCCC[N@H+]2CCNC(=O)C2)ccc1[N+](=O)[O-] ZINC000485960568 561333604 /nfs/dbraw/zinc/33/36/04/561333604.db2.gz VORYKCUXEWSFAH-UHFFFAOYSA-N 1 2 350.419 2.006 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000193880872 548399484 /nfs/dbraw/zinc/39/94/84/548399484.db2.gz YMIAWOHVFYKGCA-GFCCVEGCSA-N 1 2 373.862 2.415 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000193880872 548399493 /nfs/dbraw/zinc/39/94/93/548399493.db2.gz YMIAWOHVFYKGCA-GFCCVEGCSA-N 1 2 373.862 2.415 20 5 FEBDLO CSc1cccc(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000194771470 548530194 /nfs/dbraw/zinc/53/01/94/548530194.db2.gz RCCTZGKEBFTDCG-BETUJISGSA-N 1 2 367.471 2.498 20 5 FEBDLO CSc1cccc(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000194771470 548530198 /nfs/dbraw/zinc/53/01/98/548530198.db2.gz RCCTZGKEBFTDCG-BETUJISGSA-N 1 2 367.471 2.498 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000487676919 561373661 /nfs/dbraw/zinc/37/36/61/561373661.db2.gz RESWQPKPQBJSRI-UHFFFAOYSA-N 1 2 353.338 2.114 20 5 FEBDLO Cn1cc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245573861 548950496 /nfs/dbraw/zinc/95/04/96/548950496.db2.gz YYUZKLCOFVYKCM-IAGOWNOFSA-N 1 2 369.425 2.238 20 5 FEBDLO Cn1cc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245573861 548950498 /nfs/dbraw/zinc/95/04/98/548950498.db2.gz YYUZKLCOFVYKCM-IAGOWNOFSA-N 1 2 369.425 2.238 20 5 FEBDLO O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000245734376 548984776 /nfs/dbraw/zinc/98/47/76/548984776.db2.gz BCSFBTQYTKLMRD-KBRIMQKVSA-N 1 2 368.393 2.468 20 5 FEBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)[C@H]2C1 ZINC000246520523 549151902 /nfs/dbraw/zinc/15/19/02/549151902.db2.gz KSZYMJNNHBQSLC-OWCLPIDISA-N 1 2 374.397 2.413 20 5 FEBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)[C@H]2C1 ZINC000246520523 549151904 /nfs/dbraw/zinc/15/19/04/549151904.db2.gz KSZYMJNNHBQSLC-OWCLPIDISA-N 1 2 374.397 2.413 20 5 FEBDLO O=C(C[N@@H+]1CCS[C@@H]2COCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000246735743 549200420 /nfs/dbraw/zinc/20/04/20/549200420.db2.gz GKQLGKUVBQVGRJ-ZIAGYGMSSA-N 1 2 371.846 2.393 20 5 FEBDLO O=C(C[N@H+]1CCS[C@@H]2COCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000246735743 549200421 /nfs/dbraw/zinc/20/04/21/549200421.db2.gz GKQLGKUVBQVGRJ-ZIAGYGMSSA-N 1 2 371.846 2.393 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1C ZINC000247100155 549282485 /nfs/dbraw/zinc/28/24/85/549282485.db2.gz PYGNYQUFZYZRQB-AWEZNQCLSA-N 1 2 353.444 2.070 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1C ZINC000247100155 549282487 /nfs/dbraw/zinc/28/24/87/549282487.db2.gz PYGNYQUFZYZRQB-AWEZNQCLSA-N 1 2 353.444 2.070 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000247367122 549324551 /nfs/dbraw/zinc/32/45/51/549324551.db2.gz HOBYMHOBUZAEHF-SUMWQHHRSA-N 1 2 373.413 2.322 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000247367122 549324555 /nfs/dbraw/zinc/32/45/55/549324555.db2.gz HOBYMHOBUZAEHF-SUMWQHHRSA-N 1 2 373.413 2.322 20 5 FEBDLO COCC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCO[C@@H]1C ZINC000489469647 561412156 /nfs/dbraw/zinc/41/21/56/561412156.db2.gz LBQPMWQGALQYGD-IUODEOHRSA-N 1 2 362.386 2.271 20 5 FEBDLO COCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCO[C@@H]1C ZINC000489469647 561412157 /nfs/dbraw/zinc/41/21/57/561412157.db2.gz LBQPMWQGALQYGD-IUODEOHRSA-N 1 2 362.386 2.271 20 5 FEBDLO COCCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000249323597 549581046 /nfs/dbraw/zinc/58/10/46/549581046.db2.gz GKDFXAGLAKSOPD-DGCLKSJQSA-N 1 2 371.821 2.313 20 5 FEBDLO COCCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000249323597 549581051 /nfs/dbraw/zinc/58/10/51/549581051.db2.gz GKDFXAGLAKSOPD-DGCLKSJQSA-N 1 2 371.821 2.313 20 5 FEBDLO COC[C@@H]1C[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)O1 ZINC000251504560 549646393 /nfs/dbraw/zinc/64/63/93/549646393.db2.gz BUOCXLBPCFVVGC-JMSVASOKSA-N 1 2 362.386 2.442 20 5 FEBDLO COC[C@@H]1C[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)O1 ZINC000251504560 549646397 /nfs/dbraw/zinc/64/63/97/549646397.db2.gz BUOCXLBPCFVVGC-JMSVASOKSA-N 1 2 362.386 2.442 20 5 FEBDLO CCN(CC)C(=O)C[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255359338 549705541 /nfs/dbraw/zinc/70/55/41/549705541.db2.gz OKCUPNUUOMEOQB-CLFYSBASSA-N 1 2 360.458 2.094 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272473006 550451457 /nfs/dbraw/zinc/45/14/57/550451457.db2.gz AUDWBJFUHJNHEX-RHSMWYFYSA-N 1 2 371.441 2.407 20 5 FEBDLO CC(C)c1[nH]nc(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)c1[N+](=O)[O-] ZINC000272570025 550458515 /nfs/dbraw/zinc/45/85/15/550458515.db2.gz CWGKQYKACLRPFB-JTQLQIEISA-N 1 2 350.379 2.273 20 5 FEBDLO CC(C)c1[nH]nc(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)c1[N+](=O)[O-] ZINC000272570025 550458516 /nfs/dbraw/zinc/45/85/16/550458516.db2.gz CWGKQYKACLRPFB-JTQLQIEISA-N 1 2 350.379 2.273 20 5 FEBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(COc3ccc([N+](=O)[O-])c(F)c3)n2)C1 ZINC000272669925 550464178 /nfs/dbraw/zinc/46/41/78/550464178.db2.gz QCXSWOLXHQHGMX-AWEZNQCLSA-N 1 2 366.349 2.478 20 5 FEBDLO CC(C)[N@H+]1CCO[C@H](c2noc(COc3ccc([N+](=O)[O-])c(F)c3)n2)C1 ZINC000272669925 550464180 /nfs/dbraw/zinc/46/41/80/550464180.db2.gz QCXSWOLXHQHGMX-AWEZNQCLSA-N 1 2 366.349 2.478 20 5 FEBDLO COC(C[N@H+](CCCO)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)OC ZINC000273613838 550505195 /nfs/dbraw/zinc/50/51/95/550505195.db2.gz OPOOWEUZMZWHDT-UHFFFAOYSA-N 1 2 365.386 2.053 20 5 FEBDLO COC(C[N@@H+](CCCO)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)OC ZINC000273613838 550505196 /nfs/dbraw/zinc/50/51/96/550505196.db2.gz OPOOWEUZMZWHDT-UHFFFAOYSA-N 1 2 365.386 2.053 20 5 FEBDLO Cc1nc(N2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000274188398 550526984 /nfs/dbraw/zinc/52/69/84/550526984.db2.gz KKRGNJWNURISFA-UHFFFAOYSA-N 1 2 361.789 2.309 20 5 FEBDLO O=C(NCC1([NH+]2CCOCC2)CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000277701073 550703633 /nfs/dbraw/zinc/70/36/33/550703633.db2.gz WHCISFGMYHADTD-UHFFFAOYSA-N 1 2 374.441 2.134 20 5 FEBDLO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC(n2cc[nH+]c2)CC1 ZINC000278613898 550804445 /nfs/dbraw/zinc/80/44/45/550804445.db2.gz GVKPUBBJABMVIE-UHFFFAOYSA-N 1 2 369.385 2.214 20 5 FEBDLO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279517808 550898862 /nfs/dbraw/zinc/89/88/62/550898862.db2.gz LIAUBZDTRZXVKK-UHFFFAOYSA-N 1 2 371.397 2.248 20 5 FEBDLO O=c1nc(C2CC[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)[nH][nH]1 ZINC000280721383 551025033 /nfs/dbraw/zinc/02/50/33/551025033.db2.gz CFJZLLGFKCRYHV-UHFFFAOYSA-N 1 2 370.369 2.041 20 5 FEBDLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCCO1 ZINC000281574326 551115210 /nfs/dbraw/zinc/11/52/10/551115210.db2.gz ZGLGHTIRVKVHQJ-OCCSQVGLSA-N 1 2 351.403 2.431 20 5 FEBDLO CC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCCO1 ZINC000281574326 551115211 /nfs/dbraw/zinc/11/52/11/551115211.db2.gz ZGLGHTIRVKVHQJ-OCCSQVGLSA-N 1 2 351.403 2.431 20 5 FEBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000282169497 551189886 /nfs/dbraw/zinc/18/98/86/551189886.db2.gz DVJARKDNCCVTCR-MRXNPFEDSA-N 1 2 371.441 2.272 20 5 FEBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000282169497 551189888 /nfs/dbraw/zinc/18/98/88/551189888.db2.gz DVJARKDNCCVTCR-MRXNPFEDSA-N 1 2 371.441 2.272 20 5 FEBDLO CN(C)c1ccc(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000282397506 551222767 /nfs/dbraw/zinc/22/27/67/551222767.db2.gz KEXCWWHROXJMTB-UHFFFAOYSA-N 1 2 357.414 2.440 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCOC(C)C)CC2)c1 ZINC000284351526 551530591 /nfs/dbraw/zinc/53/05/91/551530591.db2.gz KDCINBLZAWXZRO-UHFFFAOYSA-N 1 2 365.430 2.176 20 5 FEBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CCC1OCCO1)CC2 ZINC000284986485 551683945 /nfs/dbraw/zinc/68/39/45/551683945.db2.gz YGLNSRJYNGOIQK-UHFFFAOYSA-N 1 2 357.204 2.478 20 5 FEBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CCC1OCCO1)CC2 ZINC000284986485 551683944 /nfs/dbraw/zinc/68/39/44/551683944.db2.gz YGLNSRJYNGOIQK-UHFFFAOYSA-N 1 2 357.204 2.478 20 5 FEBDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000285561691 551775032 /nfs/dbraw/zinc/77/50/32/551775032.db2.gz JQEKEJNQXCFIHV-CYBMUJFWSA-N 1 2 361.851 2.104 20 5 FEBDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000285561691 551775034 /nfs/dbraw/zinc/77/50/34/551775034.db2.gz JQEKEJNQXCFIHV-CYBMUJFWSA-N 1 2 361.851 2.104 20 5 FEBDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H](C)C1 ZINC000285768767 551807572 /nfs/dbraw/zinc/80/75/72/551807572.db2.gz BGSAIBLEQKQGJQ-CYBMUJFWSA-N 1 2 373.413 2.063 20 5 FEBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H](C)C1 ZINC000285768767 551807573 /nfs/dbraw/zinc/80/75/73/551807573.db2.gz BGSAIBLEQKQGJQ-CYBMUJFWSA-N 1 2 373.413 2.063 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000285860686 551819887 /nfs/dbraw/zinc/81/98/87/551819887.db2.gz PQRAJPBNWHBZRH-CZUORRHYSA-N 1 2 374.441 2.104 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000285860690 551819902 /nfs/dbraw/zinc/81/99/02/551819902.db2.gz PQRAJPBNWHBZRH-XJKSGUPXSA-N 1 2 374.441 2.104 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000286299904 551871490 /nfs/dbraw/zinc/87/14/90/551871490.db2.gz JLGGWJXTTNLVSH-GHMZBOCLSA-N 1 2 360.336 2.308 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000286632264 551908575 /nfs/dbraw/zinc/90/85/75/551908575.db2.gz CXCQCZCGBZCIMF-RYUDHWBXSA-N 1 2 353.806 2.183 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000293260947 552804651 /nfs/dbraw/zinc/80/46/51/552804651.db2.gz UKGRRWKXWNBPKT-MRXNPFEDSA-N 1 2 351.403 2.289 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000293260947 552804652 /nfs/dbraw/zinc/80/46/52/552804652.db2.gz UKGRRWKXWNBPKT-MRXNPFEDSA-N 1 2 351.403 2.289 20 5 FEBDLO O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000294176807 552887894 /nfs/dbraw/zinc/88/78/94/552887894.db2.gz WQSZMASOVZIJDU-UHFFFAOYSA-N 1 2 365.393 2.201 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295491746 553015645 /nfs/dbraw/zinc/01/56/45/553015645.db2.gz GYGJDOYWVWMELP-AWEZNQCLSA-N 1 2 364.402 2.004 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295491746 553015646 /nfs/dbraw/zinc/01/56/46/553015646.db2.gz GYGJDOYWVWMELP-AWEZNQCLSA-N 1 2 364.402 2.004 20 5 FEBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cc[nH]c(=O)c1 ZINC000502273855 561615436 /nfs/dbraw/zinc/61/54/36/561615436.db2.gz WWAOWDSZJOFHQX-NSHDSACASA-N 1 2 353.338 2.372 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1(C)C ZINC000295913439 553075238 /nfs/dbraw/zinc/07/52/38/553075238.db2.gz OEWJXPUKUMKYJJ-CYBMUJFWSA-N 1 2 359.342 2.460 20 5 FEBDLO COc1cccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1OC ZINC000296015360 553089739 /nfs/dbraw/zinc/08/97/39/553089739.db2.gz MWGLYPRTAAEYGM-UHFFFAOYSA-N 1 2 358.398 2.329 20 5 FEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000296067803 553099135 /nfs/dbraw/zinc/09/91/35/553099135.db2.gz QVSGGPXZCDETJM-UHFFFAOYSA-N 1 2 368.441 2.307 20 5 FEBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000296478151 553166900 /nfs/dbraw/zinc/16/69/00/553166900.db2.gz YEMONGFKTPCAFS-TXEJJXNPSA-N 1 2 355.822 2.429 20 5 FEBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000296478151 553166902 /nfs/dbraw/zinc/16/69/02/553166902.db2.gz YEMONGFKTPCAFS-TXEJJXNPSA-N 1 2 355.822 2.429 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000297546396 553306837 /nfs/dbraw/zinc/30/68/37/553306837.db2.gz QKEQUZMITMRLQM-CYBMUJFWSA-N 1 2 350.400 2.453 20 5 FEBDLO Cc1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)nc(C(C)C)[nH+]1 ZINC000298843056 553479970 /nfs/dbraw/zinc/47/99/70/553479970.db2.gz IQUYMKAJMQDDEV-UHFFFAOYSA-N 1 2 358.402 2.107 20 5 FEBDLO COc1cc(OCC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000299646566 553595312 /nfs/dbraw/zinc/59/53/12/553595312.db2.gz JRZFNLBGDLBSCM-UHFFFAOYSA-N 1 2 360.370 2.112 20 5 FEBDLO C[C@@H](Nc1ncc(Br)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000301668400 553670080 /nfs/dbraw/zinc/67/00/80/553670080.db2.gz DFAMPVPHOMASED-ZJUUUORDSA-N 1 2 359.224 2.273 20 5 FEBDLO O=C1COc2cc([N+](=O)[O-])c(N[C@@H]3CCN(c4cccc[nH+]4)C3)cc2N1 ZINC000301789090 553679258 /nfs/dbraw/zinc/67/92/58/553679258.db2.gz YDQSVGHQMGHJQH-LLVKDONJSA-N 1 2 355.354 2.012 20 5 FEBDLO CN(Cc1[nH+]ccn1C)c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000301917144 553691480 /nfs/dbraw/zinc/69/14/80/553691480.db2.gz JIOYNDBPYOXEGB-UHFFFAOYSA-N 1 2 374.788 2.164 20 5 FEBDLO O=[N+]([O-])c1ccccc1NCCNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000302099310 553703975 /nfs/dbraw/zinc/70/39/75/553703975.db2.gz KNQAJXYPBVTZKQ-AWEZNQCLSA-N 1 2 372.429 2.260 20 5 FEBDLO O=[N+]([O-])c1ccccc1NCCNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000302099310 553703978 /nfs/dbraw/zinc/70/39/78/553703978.db2.gz KNQAJXYPBVTZKQ-AWEZNQCLSA-N 1 2 372.429 2.260 20 5 FEBDLO Cc1cccc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)c1[N+](=O)[O-] ZINC000302488158 553718390 /nfs/dbraw/zinc/71/83/90/553718390.db2.gz IZGQIAZIMWCJFI-KRWDZBQOSA-N 1 2 362.474 2.134 20 5 FEBDLO Cc1cccc(N2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000302503480 553719048 /nfs/dbraw/zinc/71/90/48/553719048.db2.gz PPMOBNNRPDSLNX-OAHLLOKOSA-N 1 2 360.458 2.473 20 5 FEBDLO Cc1cccc(N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000302515573 553719502 /nfs/dbraw/zinc/71/95/02/553719502.db2.gz VFDCWTKIOODRFK-INIZCTEOSA-N 1 2 360.458 2.426 20 5 FEBDLO O=[N+]([O-])c1cccc(N2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)c1 ZINC000302795086 553733007 /nfs/dbraw/zinc/73/30/07/553733007.db2.gz OLEUAHYTMWSZEW-UHFFFAOYSA-N 1 2 354.414 2.312 20 5 FEBDLO O=[N+]([O-])c1cccc(N2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)c1 ZINC000302795086 553733008 /nfs/dbraw/zinc/73/30/08/553733008.db2.gz OLEUAHYTMWSZEW-UHFFFAOYSA-N 1 2 354.414 2.312 20 5 FEBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCOCC1 ZINC000505496882 561672315 /nfs/dbraw/zinc/67/23/15/561672315.db2.gz URYRVOXSZCKXCA-UHFFFAOYSA-N 1 2 353.444 2.159 20 5 FEBDLO C[C@H]1CCC[C@H](NC(=O)CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000303317192 553744905 /nfs/dbraw/zinc/74/49/05/553744905.db2.gz HAYGWFSHTBXCSZ-WMZOPIPTSA-N 1 2 374.485 2.407 20 5 FEBDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000303317192 553744907 /nfs/dbraw/zinc/74/49/07/553744907.db2.gz HAYGWFSHTBXCSZ-WMZOPIPTSA-N 1 2 374.485 2.407 20 5 FEBDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)no1 ZINC000507136069 561718880 /nfs/dbraw/zinc/71/88/80/561718880.db2.gz OHQFRBBSUDIMTA-UHFFFAOYSA-N 1 2 372.385 2.186 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330597358 554143346 /nfs/dbraw/zinc/14/33/46/554143346.db2.gz DVXFWUUGLVLAHP-UHFFFAOYSA-N 1 2 357.414 2.201 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000330794178 554172324 /nfs/dbraw/zinc/17/23/24/554172324.db2.gz CXQNXHTVPMVOSP-QMTHXVAHSA-N 1 2 361.320 2.311 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000330794178 554172326 /nfs/dbraw/zinc/17/23/26/554172326.db2.gz CXQNXHTVPMVOSP-QMTHXVAHSA-N 1 2 361.320 2.311 20 5 FEBDLO Cc1ccc(S(=O)(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])c1 ZINC000332266930 554413422 /nfs/dbraw/zinc/41/34/22/554413422.db2.gz FNRRWBKEYJGNIU-UHFFFAOYSA-N 1 2 364.427 2.257 20 5 FEBDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000332383382 554436209 /nfs/dbraw/zinc/43/62/09/554436209.db2.gz IBWZRKALEAXHEB-UHFFFAOYSA-N 1 2 358.402 2.107 20 5 FEBDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000332383382 554436210 /nfs/dbraw/zinc/43/62/10/554436210.db2.gz IBWZRKALEAXHEB-UHFFFAOYSA-N 1 2 358.402 2.107 20 5 FEBDLO CC(=O)NC(C)(C)c1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000351055866 554833544 /nfs/dbraw/zinc/83/35/44/554833544.db2.gz UHAWHCYFYJOCET-UHFFFAOYSA-N 1 2 356.342 2.202 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)no1 ZINC000360156205 554865353 /nfs/dbraw/zinc/86/53/53/554865353.db2.gz CMFHKEGMYDECPK-CQSZACIVSA-N 1 2 371.397 2.055 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)no1 ZINC000360156205 554865355 /nfs/dbraw/zinc/86/53/55/554865355.db2.gz CMFHKEGMYDECPK-CQSZACIVSA-N 1 2 371.397 2.055 20 5 FEBDLO Cn1cc[nH+]c1CNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 ZINC000361278458 554914310 /nfs/dbraw/zinc/91/43/10/554914310.db2.gz MMALYZRAPQHKKG-RDJZCZTQSA-N 1 2 369.425 2.176 20 5 FEBDLO Cc1n[nH]c(C2CC[NH+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)n1 ZINC000361304311 554915599 /nfs/dbraw/zinc/91/55/99/554915599.db2.gz OSUYRIKDXOILTE-MRXNPFEDSA-N 1 2 370.413 2.006 20 5 FEBDLO Cc1nc(C2CC[NH+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)n[nH]1 ZINC000361304311 554915601 /nfs/dbraw/zinc/91/56/01/554915601.db2.gz OSUYRIKDXOILTE-MRXNPFEDSA-N 1 2 370.413 2.006 20 5 FEBDLO Cc1nnc(C2CC[NH+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)[nH]1 ZINC000361304311 554915602 /nfs/dbraw/zinc/91/56/02/554915602.db2.gz OSUYRIKDXOILTE-MRXNPFEDSA-N 1 2 370.413 2.006 20 5 FEBDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000362624161 554976225 /nfs/dbraw/zinc/97/62/25/554976225.db2.gz VLEDFHFQLPUUQG-DLBZAZTESA-N 1 2 360.414 2.052 20 5 FEBDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000362624161 554976227 /nfs/dbraw/zinc/97/62/27/554976227.db2.gz VLEDFHFQLPUUQG-DLBZAZTESA-N 1 2 360.414 2.052 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000363083809 555026398 /nfs/dbraw/zinc/02/63/98/555026398.db2.gz BSZAMQBAGJEBHS-UHFFFAOYSA-N 1 2 353.338 2.114 20 5 FEBDLO COc1ccc(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000363935523 555217696 /nfs/dbraw/zinc/21/76/96/555217696.db2.gz BUGYRQQSHQEMQI-UHFFFAOYSA-N 1 2 353.338 2.114 20 5 FEBDLO COc1cccc(CC(=O)N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000512281454 561898619 /nfs/dbraw/zinc/89/86/19/561898619.db2.gz XZRDIWGXYOGCHZ-UHFFFAOYSA-N 1 2 369.421 2.490 20 5 FEBDLO O=C([C@@H]1CCCO1)N1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000364230952 555275033 /nfs/dbraw/zinc/27/50/33/555275033.db2.gz VOPCXTKBWBWYTR-INIZCTEOSA-N 1 2 367.833 2.462 20 5 FEBDLO O=C([C@@H]1CCCO1)N1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000364230952 555275035 /nfs/dbraw/zinc/27/50/35/555275035.db2.gz VOPCXTKBWBWYTR-INIZCTEOSA-N 1 2 367.833 2.462 20 5 FEBDLO O=C1[C@H]([N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CCN1c1ccccc1F ZINC000364335764 555293887 /nfs/dbraw/zinc/29/38/87/555293887.db2.gz JESTZZSCMYNCNW-CXAGYDPISA-N 1 2 373.388 2.373 20 5 FEBDLO O=C1[C@H]([N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CCN1c1ccccc1F ZINC000364335764 555293889 /nfs/dbraw/zinc/29/38/89/555293889.db2.gz JESTZZSCMYNCNW-CXAGYDPISA-N 1 2 373.388 2.373 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000364682683 555373874 /nfs/dbraw/zinc/37/38/74/555373874.db2.gz QCOVTCCRNYNMEK-HOTGVXAUSA-N 1 2 369.381 2.185 20 5 FEBDLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365828955 555677305 /nfs/dbraw/zinc/67/73/05/555677305.db2.gz WKUSZBQXSFNERO-ZIAGYGMSSA-N 1 2 367.358 2.046 20 5 FEBDLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365828955 555677307 /nfs/dbraw/zinc/67/73/07/555677307.db2.gz WKUSZBQXSFNERO-ZIAGYGMSSA-N 1 2 367.358 2.046 20 5 FEBDLO Cc1cc(N2CCC(NC(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000366000768 555723411 /nfs/dbraw/zinc/72/34/11/555723411.db2.gz NJMOILWXBVULSU-UHFFFAOYSA-N 1 2 371.397 2.106 20 5 FEBDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000366089407 555748219 /nfs/dbraw/zinc/74/82/19/555748219.db2.gz DCBFOHPSLWRQPY-SFHVURJKSA-N 1 2 369.425 2.363 20 5 FEBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000366089407 555748221 /nfs/dbraw/zinc/74/82/21/555748221.db2.gz DCBFOHPSLWRQPY-SFHVURJKSA-N 1 2 369.425 2.363 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000366332214 555814370 /nfs/dbraw/zinc/81/43/70/555814370.db2.gz URAPGZZEBUUYRI-BBRMVZONSA-N 1 2 362.430 2.127 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000366332214 555814373 /nfs/dbraw/zinc/81/43/73/555814373.db2.gz URAPGZZEBUUYRI-BBRMVZONSA-N 1 2 362.430 2.127 20 5 FEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)COCc1cccs1)CCO2 ZINC000514636169 561971047 /nfs/dbraw/zinc/97/10/47/561971047.db2.gz PWSGRWWWJYUXJI-HNNXBMFYSA-N 1 2 364.423 2.428 20 5 FEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)COCc1cccs1)CCO2 ZINC000514636169 561971049 /nfs/dbraw/zinc/97/10/49/561971049.db2.gz PWSGRWWWJYUXJI-HNNXBMFYSA-N 1 2 364.423 2.428 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000368454115 556314070 /nfs/dbraw/zinc/31/40/70/556314070.db2.gz JKYZSVHZAICWAH-CHWSQXEVSA-N 1 2 370.413 2.174 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000368454115 556314072 /nfs/dbraw/zinc/31/40/72/556314072.db2.gz JKYZSVHZAICWAH-CHWSQXEVSA-N 1 2 370.413 2.174 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](NC(=O)C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000369066791 556495740 /nfs/dbraw/zinc/49/57/40/556495740.db2.gz SEIVIRDCNAMXGI-UKRRQHHQSA-N 1 2 374.441 2.221 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](NC(=O)C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000369066791 556495744 /nfs/dbraw/zinc/49/57/44/556495744.db2.gz SEIVIRDCNAMXGI-UKRRQHHQSA-N 1 2 374.441 2.221 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCCC[C@@H]3Cn3ccnn3)n2)c1 ZINC000369279580 556562982 /nfs/dbraw/zinc/56/29/82/556562982.db2.gz MAUNCYFFQFBSME-OAHLLOKOSA-N 1 2 369.385 2.291 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCCC[C@@H]3Cn3ccnn3)n2)c1 ZINC000369279580 556562984 /nfs/dbraw/zinc/56/29/84/556562984.db2.gz MAUNCYFFQFBSME-OAHLLOKOSA-N 1 2 369.385 2.291 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000369371547 556582740 /nfs/dbraw/zinc/58/27/40/556582740.db2.gz WQVINCDWOLGVHV-CYBMUJFWSA-N 1 2 364.427 2.205 20 5 FEBDLO COc1ccc(C(=O)NC2CCN(c3cc(C)[nH+]cn3)CC2)cc1[N+](=O)[O-] ZINC000370273689 556827480 /nfs/dbraw/zinc/82/74/80/556827480.db2.gz ZLGZVPASBXBDAK-UHFFFAOYSA-N 1 2 371.397 2.101 20 5 FEBDLO Cc1sc(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000370545775 556904860 /nfs/dbraw/zinc/90/48/60/556904860.db2.gz IFHPRXRRPWPNLO-STQMWFEESA-N 1 2 353.444 2.338 20 5 FEBDLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc([N+](=O)[O-])cc(F)c1F ZINC000370549714 556905761 /nfs/dbraw/zinc/90/57/61/556905761.db2.gz PYQBPQSJRSDNHO-HUUCEWRRSA-N 1 2 369.368 2.246 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000370951753 557025917 /nfs/dbraw/zinc/02/59/17/557025917.db2.gz AQJQJAVFTQAARX-ZDUSSCGKSA-N 1 2 364.427 2.264 20 5 FEBDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000371091582 557072425 /nfs/dbraw/zinc/07/24/25/557072425.db2.gz ZYXUUEKBWNSMMQ-KRWDZBQOSA-N 1 2 361.423 2.201 20 5 FEBDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000371091582 557072426 /nfs/dbraw/zinc/07/24/26/557072426.db2.gz ZYXUUEKBWNSMMQ-KRWDZBQOSA-N 1 2 361.423 2.201 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[NH+]2CCC3(CCOC3=O)CC2)cccc1[N+](=O)[O-] ZINC000371157966 557092249 /nfs/dbraw/zinc/09/22/49/557092249.db2.gz PWOSIEPRBLHIBU-ZDUSSCGKSA-N 1 2 361.398 2.259 20 5 FEBDLO O=C([C@H]1CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-])N1CCSCC1 ZINC000371585210 557230150 /nfs/dbraw/zinc/23/01/50/557230150.db2.gz OJVUYGAFJXKLKT-OAHLLOKOSA-N 1 2 353.419 2.274 20 5 FEBDLO O=C([C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-])N1CCSCC1 ZINC000371585210 557230152 /nfs/dbraw/zinc/23/01/52/557230152.db2.gz OJVUYGAFJXKLKT-OAHLLOKOSA-N 1 2 353.419 2.274 20 5 FEBDLO COc1cc(C[N@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000372519827 557490853 /nfs/dbraw/zinc/49/08/53/557490853.db2.gz BSBIVPMVHMAHOG-DGFSRKRXSA-N 1 2 351.378 2.361 20 5 FEBDLO COc1cc(C[N@@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000372519827 557490856 /nfs/dbraw/zinc/49/08/56/557490856.db2.gz BSBIVPMVHMAHOG-DGFSRKRXSA-N 1 2 351.378 2.361 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000519743491 562142046 /nfs/dbraw/zinc/14/20/46/562142046.db2.gz BLGWVSZGJLNPTA-CQSZACIVSA-N 1 2 363.414 2.112 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000519743491 562142047 /nfs/dbraw/zinc/14/20/47/562142047.db2.gz BLGWVSZGJLNPTA-CQSZACIVSA-N 1 2 363.414 2.112 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC000372963158 557598104 /nfs/dbraw/zinc/59/81/04/557598104.db2.gz VXFGVDRWXRKRIC-OLZOCXBDSA-N 1 2 365.434 2.160 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC000372963158 557598106 /nfs/dbraw/zinc/59/81/06/557598106.db2.gz VXFGVDRWXRKRIC-OLZOCXBDSA-N 1 2 365.434 2.160 20 5 FEBDLO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1cn2c([nH+]1)CCCC2 ZINC000372989695 557604722 /nfs/dbraw/zinc/60/47/22/557604722.db2.gz JSACTRMKHYZDOJ-UHFFFAOYSA-N 1 2 357.414 2.222 20 5 FEBDLO Cc1cc(OCC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000373771085 557755819 /nfs/dbraw/zinc/75/58/19/557755819.db2.gz ZKGVKHRFZZROBM-HNNXBMFYSA-N 1 2 370.409 2.462 20 5 FEBDLO CC[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@]2(CCOC2)O1 ZINC000373808911 557763644 /nfs/dbraw/zinc/76/36/44/557763644.db2.gz CTSADRGMZUCXIF-QAPCUYQASA-N 1 2 374.397 2.415 20 5 FEBDLO CC[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@]2(CCOC2)O1 ZINC000373808911 557763647 /nfs/dbraw/zinc/76/36/47/557763647.db2.gz CTSADRGMZUCXIF-QAPCUYQASA-N 1 2 374.397 2.415 20 5 FEBDLO CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CCN(c2cccc[nH+]2)CC1 ZINC000373992216 557803381 /nfs/dbraw/zinc/80/33/81/557803381.db2.gz LFFHMJDMGKOCOZ-UHFFFAOYSA-N 1 2 355.398 2.313 20 5 FEBDLO Cc1cc(C2=CC[N@H+](Cc3nc(N(C)C)no3)CC2)cc([N+](=O)[O-])c1N ZINC000374159512 557833937 /nfs/dbraw/zinc/83/39/37/557833937.db2.gz KWDGXPJVPVIWAP-UHFFFAOYSA-N 1 2 358.402 2.224 20 5 FEBDLO Cc1cc(C2=CC[N@@H+](Cc3nc(N(C)C)no3)CC2)cc([N+](=O)[O-])c1N ZINC000374159512 557833939 /nfs/dbraw/zinc/83/39/39/557833939.db2.gz KWDGXPJVPVIWAP-UHFFFAOYSA-N 1 2 358.402 2.224 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCc3c4cccc(F)c4[nH]c3C2)c1 ZINC000374175811 557837867 /nfs/dbraw/zinc/83/78/67/557837867.db2.gz RQISFQUPKFWFCN-ZDUSSCGKSA-N 1 2 373.388 2.221 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCc3c4cccc(F)c4[nH]c3C2)c1 ZINC000374175811 557837868 /nfs/dbraw/zinc/83/78/68/557837868.db2.gz RQISFQUPKFWFCN-ZDUSSCGKSA-N 1 2 373.388 2.221 20 5 FEBDLO C[C@@H](C(=O)N1CC[NH2+][C@H](c2cccnc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000374347056 557869338 /nfs/dbraw/zinc/86/93/38/557869338.db2.gz BXIGJNZZUGGXRW-PXAZEXFGSA-N 1 2 358.373 2.406 20 5 FEBDLO COc1ccccc1[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC[NH2+]1 ZINC000374354279 557870424 /nfs/dbraw/zinc/87/04/24/557870424.db2.gz XYEXNDALGMIQDY-MRXNPFEDSA-N 1 2 356.382 2.094 20 5 FEBDLO COc1ccccc1[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000374370651 557873176 /nfs/dbraw/zinc/87/31/76/557873176.db2.gz FSAVTRGLHGPMRV-KRWDZBQOSA-N 1 2 371.393 2.155 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000374390369 557877341 /nfs/dbraw/zinc/87/73/41/557877341.db2.gz VMZDPGPXYLHEMT-INIZCTEOSA-N 1 2 374.328 2.429 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)CCC2 ZINC000374434089 557883553 /nfs/dbraw/zinc/88/35/53/557883553.db2.gz DTWRBRWRMMRHCC-CYBMUJFWSA-N 1 2 364.427 2.264 20 5 FEBDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000374473282 557888449 /nfs/dbraw/zinc/88/84/49/557888449.db2.gz UFTZMJKDTLACCH-INIZCTEOSA-N 1 2 360.414 2.397 20 5 FEBDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000374473282 557888450 /nfs/dbraw/zinc/88/84/50/557888450.db2.gz UFTZMJKDTLACCH-INIZCTEOSA-N 1 2 360.414 2.397 20 5 FEBDLO COc1ccc2c(c1)OCC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000374770675 557928795 /nfs/dbraw/zinc/92/87/95/557928795.db2.gz YNGABPNMNRUTEV-HNNXBMFYSA-N 1 2 374.393 2.238 20 5 FEBDLO COc1ccc2c(c1)OCC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000374770675 557928797 /nfs/dbraw/zinc/92/87/97/557928797.db2.gz YNGABPNMNRUTEV-HNNXBMFYSA-N 1 2 374.393 2.238 20 5 FEBDLO O=C1NC[C@@]2(CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)O1 ZINC000375555399 558047771 /nfs/dbraw/zinc/04/77/71/558047771.db2.gz AHJXYUZOFIXXEX-OAHLLOKOSA-N 1 2 357.313 2.271 20 5 FEBDLO O=C1NC[C@@]2(CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)O1 ZINC000375555399 558047772 /nfs/dbraw/zinc/04/77/72/558047772.db2.gz AHJXYUZOFIXXEX-OAHLLOKOSA-N 1 2 357.313 2.271 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000376425349 558171169 /nfs/dbraw/zinc/17/11/69/558171169.db2.gz CKYIBRLLADWBKA-VIFPVBQESA-N 1 2 358.324 2.450 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000376425349 558171170 /nfs/dbraw/zinc/17/11/70/558171170.db2.gz CKYIBRLLADWBKA-VIFPVBQESA-N 1 2 358.324 2.450 20 5 FEBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC(n2cc[nH+]c2)C1 ZINC000522265979 562195593 /nfs/dbraw/zinc/19/55/93/562195593.db2.gz LSILIRMELIJWDQ-UHFFFAOYSA-N 1 2 358.401 2.435 20 5 FEBDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1Cc1ccccc1[N+](=O)[O-] ZINC000377614135 558377238 /nfs/dbraw/zinc/37/72/38/558377238.db2.gz GSACSDFSEUHBGG-GOSISDBHSA-N 1 2 365.393 2.224 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000377705392 558401673 /nfs/dbraw/zinc/40/16/73/558401673.db2.gz RZUMWNOVEYDBCW-LBPRGKRZSA-N 1 2 351.403 2.431 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000377705392 558401675 /nfs/dbraw/zinc/40/16/75/558401675.db2.gz RZUMWNOVEYDBCW-LBPRGKRZSA-N 1 2 351.403 2.431 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000377990549 558458960 /nfs/dbraw/zinc/45/89/60/558458960.db2.gz KSZXHXKSACOIDZ-SNVBAGLBSA-N 1 2 364.793 2.184 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H](c2nnc[nH]2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000377990549 558458961 /nfs/dbraw/zinc/45/89/61/558458961.db2.gz KSZXHXKSACOIDZ-SNVBAGLBSA-N 1 2 364.793 2.184 20 5 FEBDLO Cc1noc(C2(C)CC[NH+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000378576283 558587125 /nfs/dbraw/zinc/58/71/25/558587125.db2.gz JWUKZTRZDOVNQP-UHFFFAOYSA-N 1 2 373.413 2.303 20 5 FEBDLO Cc1cc(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000408183647 558654475 /nfs/dbraw/zinc/65/44/75/558654475.db2.gz SYDCVBIFLXOURD-UONOGXRCSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1cc(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000408183647 558654477 /nfs/dbraw/zinc/65/44/77/558654477.db2.gz SYDCVBIFLXOURD-UONOGXRCSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000408183788 558654682 /nfs/dbraw/zinc/65/46/82/558654682.db2.gz UHMQUTQYOGVGDK-HIFRSBDPSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000408183788 558654683 /nfs/dbraw/zinc/65/46/83/558654683.db2.gz UHMQUTQYOGVGDK-HIFRSBDPSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1nn(C)c(C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)c1[N+](=O)[O-] ZINC000525717126 562253183 /nfs/dbraw/zinc/25/31/83/562253183.db2.gz GJMIPDZVDDVVDS-UHFFFAOYSA-N 1 2 368.397 2.154 20 5 FEBDLO C[C@H](O)[C@@H]1CCN(c2cc(NCCNc3ccc([N+](=O)[O-])cc3)[nH+]cn2)C1 ZINC000413028442 559070718 /nfs/dbraw/zinc/07/07/18/559070718.db2.gz DESUYBDRZSINFO-UONOGXRCSA-N 1 2 372.429 2.116 20 5 FEBDLO C[C@H](O)[C@@H]1CCN(c2cc(NCCNc3ccc([N+](=O)[O-])cc3)nc[nH+]2)C1 ZINC000413028442 559070719 /nfs/dbraw/zinc/07/07/19/559070719.db2.gz DESUYBDRZSINFO-UONOGXRCSA-N 1 2 372.429 2.116 20 5 FEBDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413050141 559072703 /nfs/dbraw/zinc/07/27/03/559072703.db2.gz VFBWDWMNAQUVTA-CQSZACIVSA-N 1 2 371.441 2.180 20 5 FEBDLO CC(C)(C)c1nnc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])[nH]1 ZINC000413415907 559106234 /nfs/dbraw/zinc/10/62/34/559106234.db2.gz OLCGGAWUWKKJAH-UHFFFAOYSA-N 1 2 374.445 2.455 20 5 FEBDLO Cn1ncc2c1CCCN(c1cc(C[NH+]3CCOCC3)ccc1[N+](=O)[O-])C2 ZINC000413474807 559110710 /nfs/dbraw/zinc/11/07/10/559110710.db2.gz BQLXXJBFKDZESV-UHFFFAOYSA-N 1 2 371.441 2.113 20 5 FEBDLO CNC(=O)NC1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000413579614 559117929 /nfs/dbraw/zinc/11/79/29/559117929.db2.gz YYXNDGZSZBMCPC-UHFFFAOYSA-N 1 2 370.413 2.258 20 5 FEBDLO CO[C@@H](CC(C)C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000419188752 559432061 /nfs/dbraw/zinc/43/20/61/559432061.db2.gz OSXXJMYKHSHHLV-ZDUSSCGKSA-N 1 2 355.460 2.475 20 5 FEBDLO CC[N@@H+]1CCO[C@H](c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)C1 ZINC000420498705 559490154 /nfs/dbraw/zinc/49/01/54/559490154.db2.gz HHASBEVBFQYYDV-AWEZNQCLSA-N 1 2 359.386 2.396 20 5 FEBDLO CC[N@H+]1CCO[C@H](c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)C1 ZINC000420498705 559490155 /nfs/dbraw/zinc/49/01/55/559490155.db2.gz HHASBEVBFQYYDV-AWEZNQCLSA-N 1 2 359.386 2.396 20 5 FEBDLO COCC1(O)CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425426562 559701877 /nfs/dbraw/zinc/70/18/77/559701877.db2.gz WJAGPYLMHGLLTQ-UHFFFAOYSA-N 1 2 359.220 2.331 20 5 FEBDLO C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C(=O)OC(C)(C)C ZINC000425521062 559707594 /nfs/dbraw/zinc/70/75/94/559707594.db2.gz JIGQTXRTANMXCR-XJKSGUPXSA-N 1 2 365.430 2.199 20 5 FEBDLO C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C(=O)OC(C)(C)C ZINC000425521062 559707595 /nfs/dbraw/zinc/70/75/95/559707595.db2.gz JIGQTXRTANMXCR-XJKSGUPXSA-N 1 2 365.430 2.199 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425545549 559708939 /nfs/dbraw/zinc/70/89/39/559708939.db2.gz KAEKBSABZZEKJS-VHSXEESVSA-N 1 2 364.793 2.183 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425545549 559708940 /nfs/dbraw/zinc/70/89/40/559708940.db2.gz KAEKBSABZZEKJS-VHSXEESVSA-N 1 2 364.793 2.183 20 5 FEBDLO CC[C@H]1C[N@H+](CCNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000426189271 559731448 /nfs/dbraw/zinc/73/14/48/559731448.db2.gz YTRBSYTVGIMVST-KBPBESRZSA-N 1 2 350.419 2.066 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000426189271 559731449 /nfs/dbraw/zinc/73/14/49/559731449.db2.gz YTRBSYTVGIMVST-KBPBESRZSA-N 1 2 350.419 2.066 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000426923065 559744283 /nfs/dbraw/zinc/74/42/83/559744283.db2.gz ICLJQFKAGVYMTL-UHFFFAOYSA-N 1 2 358.276 2.292 20 5 FEBDLO CC[C@@H]1C[N@H+](CCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000428063614 559769045 /nfs/dbraw/zinc/76/90/45/559769045.db2.gz MHOAPQBPUJJLBA-QGZVFWFLSA-N 1 2 364.446 2.014 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000428063614 559769046 /nfs/dbraw/zinc/76/90/46/559769046.db2.gz MHOAPQBPUJJLBA-QGZVFWFLSA-N 1 2 364.446 2.014 20 5 FEBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428367205 559774081 /nfs/dbraw/zinc/77/40/81/559774081.db2.gz PBEDNHHYLOWWAO-JQWIXIFHSA-N 1 2 364.789 2.343 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000428690578 559781271 /nfs/dbraw/zinc/78/12/71/559781271.db2.gz LIIZFLNBTZPXRF-UHFFFAOYSA-N 1 2 368.455 2.394 20 5 FEBDLO CC(C)c1n[nH]c(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000433828035 559888524 /nfs/dbraw/zinc/88/85/24/559888524.db2.gz GSJAVYLHNGGVHQ-UHFFFAOYSA-N 1 2 358.402 2.235 20 5 FEBDLO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436870131 559954852 /nfs/dbraw/zinc/95/48/52/559954852.db2.gz OXENWGQGNKRPDW-UHFFFAOYSA-N 1 2 358.354 2.053 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2nccnc2C)CC1 ZINC000440492529 560012219 /nfs/dbraw/zinc/01/22/19/560012219.db2.gz UHSQCZQXOQDMAM-UHFFFAOYSA-N 1 2 357.414 2.414 20 5 FEBDLO Cc1ccn2cc(CNS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)[nH+]c2c1 ZINC000443696705 560090606 /nfs/dbraw/zinc/09/06/06/560090606.db2.gz VWRBVWGTIWNPJL-UHFFFAOYSA-N 1 2 360.395 2.171 20 5 FEBDLO CCOC1CC(O)(CNc2cc(CC)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000443966056 560097595 /nfs/dbraw/zinc/09/75/95/560097595.db2.gz XZEKKSRFKLWGRJ-UHFFFAOYSA-N 1 2 372.425 2.378 20 5 FEBDLO CS(=O)(=O)C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000444676494 560117967 /nfs/dbraw/zinc/11/79/67/560117967.db2.gz QOLLBAAYOQYXQU-INIZCTEOSA-N 1 2 374.422 2.347 20 5 FEBDLO C[C@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCN1C(=O)c1cnn(C)c1 ZINC000449761963 560239341 /nfs/dbraw/zinc/23/93/41/560239341.db2.gz CQTBOOKRRVVTNV-PKYBCLHXSA-N 1 2 369.425 2.188 20 5 FEBDLO C[C@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCN1C(=O)c1cnn(C)c1 ZINC000449761963 560239342 /nfs/dbraw/zinc/23/93/42/560239342.db2.gz CQTBOOKRRVVTNV-PKYBCLHXSA-N 1 2 369.425 2.188 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000450196544 560253673 /nfs/dbraw/zinc/25/36/73/560253673.db2.gz NFWSOUUCRNKMPH-CABCVRRESA-N 1 2 356.382 2.279 20 5 FEBDLO O=[N+]([O-])c1ccc2c(ccnc2NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000450243994 560255478 /nfs/dbraw/zinc/25/54/78/560255478.db2.gz DOQJULOXLMIJAQ-UHFFFAOYSA-N 1 2 365.393 2.987 20 5 FEBDLO COc1cc(C[NH+]2CCN(c3ncc([N+](=O)[O-])c(C)n3)CC2)cc(OC)c1 ZINC000450366694 560260138 /nfs/dbraw/zinc/26/01/38/560260138.db2.gz UPBDSIXNHXESTQ-UHFFFAOYSA-N 1 2 373.413 2.033 20 5 FEBDLO C[C@H]1C[C@@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450824507 560274754 /nfs/dbraw/zinc/27/47/54/560274754.db2.gz CWQOQWNXXBIEJU-GXFFZTMASA-N 1 2 365.415 2.160 20 5 FEBDLO CC1(C)C[C@H](O)CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000450855153 560275846 /nfs/dbraw/zinc/27/58/46/560275846.db2.gz LZNNPQTZBVUZCT-MRXNPFEDSA-N 1 2 363.458 2.414 20 5 FEBDLO COC(=O)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000451121544 560288168 /nfs/dbraw/zinc/28/81/68/560288168.db2.gz RYUYLJJCEOOOOA-TZMCWYRMSA-N 1 2 372.381 2.052 20 5 FEBDLO CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000451546480 560313864 /nfs/dbraw/zinc/31/38/64/560313864.db2.gz SDQXUNGHMASWAA-IUODEOHRSA-N 1 2 351.403 2.289 20 5 FEBDLO CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000451546480 560313865 /nfs/dbraw/zinc/31/38/65/560313865.db2.gz SDQXUNGHMASWAA-IUODEOHRSA-N 1 2 351.403 2.289 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451887699 560334710 /nfs/dbraw/zinc/33/47/10/560334710.db2.gz KBSOQOIPRAIJMU-NRUUGDAUSA-N 1 2 361.320 2.167 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451887699 560334711 /nfs/dbraw/zinc/33/47/11/560334711.db2.gz KBSOQOIPRAIJMU-NRUUGDAUSA-N 1 2 361.320 2.167 20 5 FEBDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000451972411 560341415 /nfs/dbraw/zinc/34/14/15/560341415.db2.gz OHSWIYMFRZYNQT-LLVKDONJSA-N 1 2 361.851 2.353 20 5 FEBDLO COC(=O)[C@@H](CC(C)C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000452933946 560378458 /nfs/dbraw/zinc/37/84/58/560378458.db2.gz VCIYLZMKAAYHLQ-MRXNPFEDSA-N 1 2 374.397 2.440 20 5 FEBDLO CCN1CC[NH+](CC(C)(C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000456905444 560537018 /nfs/dbraw/zinc/53/70/18/560537018.db2.gz UBZBCINQCCCYGB-UHFFFAOYSA-N 1 2 368.865 2.394 20 5 FEBDLO C[NH+](C)Cc1csc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000457300781 560561279 /nfs/dbraw/zinc/56/12/79/560561279.db2.gz XPIFKSRMIRURRD-UHFFFAOYSA-N 1 2 364.383 2.136 20 5 FEBDLO CCOCC[N@@H+]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000458083548 560602375 /nfs/dbraw/zinc/60/23/75/560602375.db2.gz LKHOPNCCVJBFLP-GFCCVEGCSA-N 1 2 355.822 2.431 20 5 FEBDLO CCOCC[N@H+]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000458083548 560602376 /nfs/dbraw/zinc/60/23/76/560602376.db2.gz LKHOPNCCVJBFLP-GFCCVEGCSA-N 1 2 355.822 2.431 20 5 FEBDLO Cn1c[nH+]c(CCNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000459172258 560672290 /nfs/dbraw/zinc/67/22/90/560672290.db2.gz JHLDSUYZAYCLGJ-UHFFFAOYSA-N 1 2 373.413 2.124 20 5 FEBDLO O=C(Cc1cn2ccccc2[nH+]1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461390841 560769284 /nfs/dbraw/zinc/76/92/84/560769284.db2.gz XJXLHTHVPFSRRJ-UHFFFAOYSA-N 1 2 352.350 2.206 20 5 FEBDLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462131315 560798567 /nfs/dbraw/zinc/79/85/67/560798567.db2.gz AAQDPRZMTIYNEG-MRVPVSSYSA-N 1 2 368.242 2.226 20 5 FEBDLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462131315 560798568 /nfs/dbraw/zinc/79/85/68/560798568.db2.gz AAQDPRZMTIYNEG-MRVPVSSYSA-N 1 2 368.242 2.226 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)CCC2 ZINC000467044701 560902391 /nfs/dbraw/zinc/90/23/91/560902391.db2.gz JRDFDNTYGSRYSO-LLVKDONJSA-N 1 2 370.456 2.326 20 5 FEBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000469251228 560951012 /nfs/dbraw/zinc/95/10/12/560951012.db2.gz UWBATSQLSYLHRL-UHFFFAOYSA-N 1 2 363.458 2.442 20 5 FEBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000469251228 560951013 /nfs/dbraw/zinc/95/10/13/560951013.db2.gz UWBATSQLSYLHRL-UHFFFAOYSA-N 1 2 363.458 2.442 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CCN1c1nc2ccccc2o1 ZINC000475870530 561107031 /nfs/dbraw/zinc/10/70/31/561107031.db2.gz MVABZHYGAOOGQE-GFCCVEGCSA-N 1 2 356.386 2.180 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CCN1c1nc2ccccc2o1 ZINC000475870530 561107032 /nfs/dbraw/zinc/10/70/32/561107032.db2.gz MVABZHYGAOOGQE-GFCCVEGCSA-N 1 2 356.386 2.180 20 5 FEBDLO Cc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000533819644 562519034 /nfs/dbraw/zinc/51/90/34/562519034.db2.gz OQJSQOXAKFPZIL-OAHLLOKOSA-N 1 2 361.423 2.368 20 5 FEBDLO Cc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000533819644 562519035 /nfs/dbraw/zinc/51/90/35/562519035.db2.gz OQJSQOXAKFPZIL-OAHLLOKOSA-N 1 2 361.423 2.368 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc4c3OCCO4)CC2)cn1 ZINC000535072328 562550379 /nfs/dbraw/zinc/55/03/79/562550379.db2.gz IPJQGZRKRVRSRO-UHFFFAOYSA-N 1 2 356.382 2.083 20 5 FEBDLO Cc1cc[nH+]cc1N1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000535541096 562560671 /nfs/dbraw/zinc/56/06/71/562560671.db2.gz BDFHELJHNUFEFM-UHFFFAOYSA-N 1 2 355.398 2.059 20 5 FEBDLO O=C1NCCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1Cc1ccccc1 ZINC000549831521 562640527 /nfs/dbraw/zinc/64/05/27/562640527.db2.gz YUELJNOQEMKWDG-SFHVURJKSA-N 1 2 355.394 2.234 20 5 FEBDLO O=C1NCCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1Cc1ccccc1 ZINC000549831521 562640528 /nfs/dbraw/zinc/64/05/28/562640528.db2.gz YUELJNOQEMKWDG-SFHVURJKSA-N 1 2 355.394 2.234 20 5 FEBDLO Cc1noc(C)c1CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000550111831 562642865 /nfs/dbraw/zinc/64/28/65/562642865.db2.gz FRLIQQIKCDXDCI-UHFFFAOYSA-N 1 2 358.398 2.200 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000570091330 568458554 /nfs/dbraw/zinc/45/85/54/568458554.db2.gz YCSYEXXAYZLRJO-OAHLLOKOSA-N 1 2 371.397 2.097 20 5 FEBDLO Cc1cc(NCC[NH+]2CCC([NH+](C)C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566918274 602322890 /nfs/dbraw/zinc/32/28/90/602322890.db2.gz SUCUPQANRVWRGT-UHFFFAOYSA-N 1 2 350.419 2.039 20 5 FEBDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809830217 674514110 /nfs/dbraw/zinc/51/41/10/674514110.db2.gz TXBZXFGFYPDHFQ-RKDXNWHRSA-N 1 2 365.814 2.100 20 5 FEBDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809830217 674514111 /nfs/dbraw/zinc/51/41/11/674514111.db2.gz TXBZXFGFYPDHFQ-RKDXNWHRSA-N 1 2 365.814 2.100 20 5 FEBDLO C[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000809829853 674513966 /nfs/dbraw/zinc/51/39/66/674513966.db2.gz HVHLLUAXUGDUNE-UHFFFAOYSA-N 1 2 365.814 2.102 20 5 FEBDLO C[N@H+]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000809829853 674513968 /nfs/dbraw/zinc/51/39/68/674513968.db2.gz HVHLLUAXUGDUNE-UHFFFAOYSA-N 1 2 365.814 2.102 20 5 FEBDLO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000813479180 674750097 /nfs/dbraw/zinc/75/00/97/674750097.db2.gz ANFGCHOPOMWCGQ-LLVKDONJSA-N 1 2 374.224 2.448 20 5 FEBDLO Cn1c[nH+]cc1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000563486762 674895131 /nfs/dbraw/zinc/89/51/31/674895131.db2.gz QWOHTPRURNPYQT-UHFFFAOYSA-N 1 2 358.276 2.199 20 5 FEBDLO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C/C(Cl)=C/Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525556 675008979 /nfs/dbraw/zinc/00/89/79/675008979.db2.gz XSGYLMYJMZBNKK-ODFKDJIGSA-N 1 2 362.257 2.330 20 5 FEBDLO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C(Cl)=C/Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525556 675008980 /nfs/dbraw/zinc/00/89/80/675008980.db2.gz XSGYLMYJMZBNKK-ODFKDJIGSA-N 1 2 362.257 2.330 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)c(Cl)c1 ZINC000609598321 675928410 /nfs/dbraw/zinc/92/84/10/675928410.db2.gz GWUSQYGVUXCPCI-UHFFFAOYSA-N 1 2 359.835 2.107 20 5 FEBDLO CSc1ccccc1NC(=O)C[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000610704248 675990760 /nfs/dbraw/zinc/99/07/60/675990760.db2.gz LEFKEKVTQFUUDF-UHFFFAOYSA-N 1 2 363.443 2.392 20 5 FEBDLO CSc1ccccc1NC(=O)C[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000610704248 675990761 /nfs/dbraw/zinc/99/07/61/675990761.db2.gz LEFKEKVTQFUUDF-UHFFFAOYSA-N 1 2 363.443 2.392 20 5 FEBDLO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000611408882 676035780 /nfs/dbraw/zinc/03/57/80/676035780.db2.gz KYZXVGHLFVXLGR-SNVBAGLBSA-N 1 2 353.375 2.232 20 5 FEBDLO COC(=O)[C@H]1CCCCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000611575667 676045190 /nfs/dbraw/zinc/04/51/90/676045190.db2.gz JNSZAXCDJJPRBT-CQSZACIVSA-N 1 2 352.387 2.400 20 5 FEBDLO COC(=O)[C@H]1CCCCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000611575667 676045192 /nfs/dbraw/zinc/04/51/92/676045192.db2.gz JNSZAXCDJJPRBT-CQSZACIVSA-N 1 2 352.387 2.400 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H](OC(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000611580647 676045711 /nfs/dbraw/zinc/04/57/11/676045711.db2.gz YXCZTMSGGCSZFZ-ZDUSSCGKSA-N 1 2 355.341 2.188 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H](OC(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000611580647 676045714 /nfs/dbraw/zinc/04/57/14/676045714.db2.gz YXCZTMSGGCSZFZ-ZDUSSCGKSA-N 1 2 355.341 2.188 20 5 FEBDLO O=[N+]([O-])c1nn(CN2CCC[C@@H](n3cc[nH+]c3)C2)cc1Br ZINC000738147244 673604396 /nfs/dbraw/zinc/60/43/96/673604396.db2.gz BZESKPYMZFYJRD-SNVBAGLBSA-N 1 2 355.196 2.045 20 5 FEBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000598950319 673624738 /nfs/dbraw/zinc/62/47/38/673624738.db2.gz QLQLGOZLBPCZMK-VIFPVBQESA-N 1 2 365.187 2.299 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cccc1[N+](=O)[O-] ZINC000599631990 673699862 /nfs/dbraw/zinc/69/98/62/673699862.db2.gz NUIGAKIZDMYIML-IYFOKCQASA-N 1 2 365.455 2.216 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cccc1[N+](=O)[O-] ZINC000599631990 673699864 /nfs/dbraw/zinc/69/98/64/673699864.db2.gz NUIGAKIZDMYIML-IYFOKCQASA-N 1 2 365.455 2.216 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)[S@@]4=O)n2)c1 ZINC000599632662 673699990 /nfs/dbraw/zinc/69/99/90/673699990.db2.gz JRHROGLBSVXNOR-PJGQNWHFSA-N 1 2 362.411 2.130 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[S@@]4=O)n2)c1 ZINC000599632662 673699992 /nfs/dbraw/zinc/69/99/92/673699992.db2.gz JRHROGLBSVXNOR-PJGQNWHFSA-N 1 2 362.411 2.130 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])s1 ZINC000601370525 673849656 /nfs/dbraw/zinc/84/96/56/673849656.db2.gz TXHLLTKXFAXBES-ZYHUDNBSSA-N 1 2 370.456 2.433 20 5 FEBDLO Cn1cc(C[N@H+](C)[C@H](CO)c2cccc(Br)c2)c([N+](=O)[O-])n1 ZINC000602483555 673906662 /nfs/dbraw/zinc/90/66/62/673906662.db2.gz SEUPEDPIDWOTSQ-CYBMUJFWSA-N 1 2 369.219 2.256 20 5 FEBDLO Cn1cc(C[N@@H+](C)[C@H](CO)c2cccc(Br)c2)c([N+](=O)[O-])n1 ZINC000602483555 673906664 /nfs/dbraw/zinc/90/66/64/673906664.db2.gz SEUPEDPIDWOTSQ-CYBMUJFWSA-N 1 2 369.219 2.256 20 5 FEBDLO CO[C@@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@](C)(CO)C1 ZINC000602962355 673914824 /nfs/dbraw/zinc/91/48/24/673914824.db2.gz JRFCGAMELAVVAF-JSGCOSHPSA-N 1 2 359.220 2.329 20 5 FEBDLO CO[C@@H]1C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@](C)(CO)C1 ZINC000602962355 673914827 /nfs/dbraw/zinc/91/48/27/673914827.db2.gz JRFCGAMELAVVAF-JSGCOSHPSA-N 1 2 359.220 2.329 20 5 FEBDLO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCCNC1=O ZINC000822606822 675495091 /nfs/dbraw/zinc/49/50/91/675495091.db2.gz USSAIDCVDDLSGG-LBPRGKRZSA-N 1 2 356.220 2.458 20 5 FEBDLO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCCNC1=O ZINC000822606822 675495093 /nfs/dbraw/zinc/49/50/93/675495093.db2.gz USSAIDCVDDLSGG-LBPRGKRZSA-N 1 2 356.220 2.458 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000618398307 676338791 /nfs/dbraw/zinc/33/87/91/676338791.db2.gz WFJSKRGHRPPSKD-AWEZNQCLSA-N 1 2 367.833 2.493 20 5 FEBDLO CC1=CC[N@H+](CCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000762552466 680753697 /nfs/dbraw/zinc/75/36/97/680753697.db2.gz YGQBATRVBRDXAA-UHFFFAOYSA-N 1 2 359.835 2.179 20 5 FEBDLO CC1=CC[N@@H+](CCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000762552466 680753698 /nfs/dbraw/zinc/75/36/98/680753698.db2.gz YGQBATRVBRDXAA-UHFFFAOYSA-N 1 2 359.835 2.179 20 5 FEBDLO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000839720187 680774355 /nfs/dbraw/zinc/77/43/55/680774355.db2.gz IRWBHNVPGDLFSV-CAPXZKIUSA-N 1 2 353.369 2.270 20 5 FEBDLO CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000839720187 680774356 /nfs/dbraw/zinc/77/43/56/680774356.db2.gz IRWBHNVPGDLFSV-CAPXZKIUSA-N 1 2 353.369 2.270 20 5 FEBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cccc(Cl)c3Cl)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776129 680337313 /nfs/dbraw/zinc/33/73/13/680337313.db2.gz ZWESFMVQLABOGU-CJWQTGLVSA-N 1 2 370.236 2.205 20 5 FEBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(Cl)c3Cl)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776129 680337319 /nfs/dbraw/zinc/33/73/19/680337319.db2.gz ZWESFMVQLABOGU-CJWQTGLVSA-N 1 2 370.236 2.205 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1Cl ZINC000836786725 680513717 /nfs/dbraw/zinc/51/37/17/680513717.db2.gz FMVYCXNECHJMNF-CHWSQXEVSA-N 1 2 367.833 2.492 20 5 FEBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2sccc2Cl)CC1 ZINC001005379764 680573494 /nfs/dbraw/zinc/57/34/94/680573494.db2.gz VWULGOQTLDPXJT-DGCLKSJQSA-N 1 2 357.863 2.490 20 5 FEBDLO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000837542065 680617166 /nfs/dbraw/zinc/61/71/66/680617166.db2.gz MTYBVSWQQWHNPX-UHFFFAOYSA-N 1 2 354.794 2.029 20 5 FEBDLO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC001045437455 680629799 /nfs/dbraw/zinc/62/97/99/680629799.db2.gz RWNTUSIYQYTDKV-UKRRQHHQSA-N 1 2 367.833 2.182 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000768562076 680950595 /nfs/dbraw/zinc/95/05/95/680950595.db2.gz MTTCJRRQUHEAHO-GHMZBOCLSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000768562076 680950596 /nfs/dbraw/zinc/95/05/96/680950596.db2.gz MTTCJRRQUHEAHO-GHMZBOCLSA-N 1 2 361.851 2.270 20 5 FEBDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000845125054 681105210 /nfs/dbraw/zinc/10/52/10/681105210.db2.gz WNLYOGIUMFQSCB-HNNXBMFYSA-N 1 2 350.371 2.299 20 5 FEBDLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000845125054 681105212 /nfs/dbraw/zinc/10/52/12/681105212.db2.gz WNLYOGIUMFQSCB-HNNXBMFYSA-N 1 2 350.371 2.299 20 5 FEBDLO C[C@H](CC(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000845281188 681115783 /nfs/dbraw/zinc/11/57/83/681115783.db2.gz ZNYCNVIMAJROBZ-SNVBAGLBSA-N 1 2 350.306 2.063 20 5 FEBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000777219020 681473088 /nfs/dbraw/zinc/47/30/88/681473088.db2.gz AVOBQCCKBSEAEC-JTQLQIEISA-N 1 2 352.192 2.396 20 5 FEBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000777219020 681473089 /nfs/dbraw/zinc/47/30/89/681473089.db2.gz AVOBQCCKBSEAEC-JTQLQIEISA-N 1 2 352.192 2.396 20 5 FEBDLO COC[C@@H](C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)OC ZINC000852022570 682204432 /nfs/dbraw/zinc/20/44/32/682204432.db2.gz RMZJKJBTUUBGGV-SNVBAGLBSA-N 1 2 359.220 2.377 20 5 FEBDLO COC[C@@H](C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)OC ZINC000852022570 682204435 /nfs/dbraw/zinc/20/44/35/682204435.db2.gz RMZJKJBTUUBGGV-SNVBAGLBSA-N 1 2 359.220 2.377 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1C ZINC000787328772 682450927 /nfs/dbraw/zinc/45/09/27/682450927.db2.gz UHVLEOCCACCWRO-MWLCHTKSSA-N 1 2 355.778 2.070 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1C ZINC000787328772 682450930 /nfs/dbraw/zinc/45/09/30/682450930.db2.gz UHVLEOCCACCWRO-MWLCHTKSSA-N 1 2 355.778 2.070 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1Cl ZINC000855408235 682666557 /nfs/dbraw/zinc/66/65/57/682666557.db2.gz RGYUVMVBEHUWEN-NWDGAFQWSA-N 1 2 355.822 2.396 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1Cl ZINC000855408235 682666560 /nfs/dbraw/zinc/66/65/60/682666560.db2.gz RGYUVMVBEHUWEN-NWDGAFQWSA-N 1 2 355.822 2.396 20 5 FEBDLO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@H+](Cn1nccc1[N+](=O)[O-])C2 ZINC000857239139 682868116 /nfs/dbraw/zinc/86/81/16/682868116.db2.gz BKBLBFXGBFKDFI-MLGOLLRUSA-N 1 2 351.407 2.128 20 5 FEBDLO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@@H+](Cn1nccc1[N+](=O)[O-])C2 ZINC000857239139 682868119 /nfs/dbraw/zinc/86/81/19/682868119.db2.gz BKBLBFXGBFKDFI-MLGOLLRUSA-N 1 2 351.407 2.128 20 5 FEBDLO O=[N+]([O-])c1cc(S(=O)(=O)NCCn2cc[nH+]c2)c(Cl)cc1Cl ZINC000798225142 683324315 /nfs/dbraw/zinc/32/43/15/683324315.db2.gz TVCPJAAVCAOHDR-UHFFFAOYSA-N 1 2 365.198 2.077 20 5 FEBDLO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000799582825 683469542 /nfs/dbraw/zinc/46/95/42/683469542.db2.gz TXCSEHHYMISZPL-ZDUSSCGKSA-N 1 2 353.423 2.376 20 5 FEBDLO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000799582825 683469545 /nfs/dbraw/zinc/46/95/45/683469545.db2.gz TXCSEHHYMISZPL-ZDUSSCGKSA-N 1 2 353.423 2.376 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCCc2cccnc2)CC1 ZINC000929264041 683570565 /nfs/dbraw/zinc/57/05/65/683570565.db2.gz ZZBZFKMTQKCWOI-UHFFFAOYSA-N 1 2 360.439 2.442 20 5 FEBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000922645411 683761058 /nfs/dbraw/zinc/76/10/58/683761058.db2.gz JSNFOOQYUFCPNS-ZFWWWQNUSA-N 1 2 350.419 2.066 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000930863548 683794026 /nfs/dbraw/zinc/79/40/26/683794026.db2.gz OUYVCLZDUXSWAR-CQSZACIVSA-N 1 2 350.419 2.396 20 5 FEBDLO C/C(=C/C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C[NH+]1CCOCC1 ZINC000901015214 690600587 /nfs/dbraw/zinc/60/05/87/690600587.db2.gz ASOOSVHGEXCDAO-WQLSENKSSA-N 1 2 353.806 2.143 20 5 FEBDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000909034501 691770004 /nfs/dbraw/zinc/77/00/04/691770004.db2.gz RTIWQUFYAZUIPC-ZDUSSCGKSA-N 1 2 373.203 2.121 20 5 FEBDLO CC[N@H+]1CCO[C@H](C(=O)OCc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000909034501 691770008 /nfs/dbraw/zinc/77/00/08/691770008.db2.gz RTIWQUFYAZUIPC-ZDUSSCGKSA-N 1 2 373.203 2.121 20 5 FEBDLO Cc1c(C)c(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)ncc1[N+](=O)[O-] ZINC001165011669 721706253 /nfs/dbraw/zinc/70/62/53/721706253.db2.gz UYNUGGUZCBLYGO-UHFFFAOYSA-N 1 2 373.461 2.449 20 5 FEBDLO Cc1c(C)c(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)ncc1[N+](=O)[O-] ZINC001165011669 721706257 /nfs/dbraw/zinc/70/62/57/721706257.db2.gz UYNUGGUZCBLYGO-UHFFFAOYSA-N 1 2 373.461 2.449 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000007639875 539462570 /nfs/dbraw/zinc/46/25/70/539462570.db2.gz SJAVYUDLGNZAOB-UHFFFAOYSA-N 1 2 373.365 2.403 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000007639875 539462576 /nfs/dbraw/zinc/46/25/76/539462576.db2.gz SJAVYUDLGNZAOB-UHFFFAOYSA-N 1 2 373.365 2.403 20 5 FEBDLO Cc1c(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016638062 539635442 /nfs/dbraw/zinc/63/54/42/539635442.db2.gz QFTOYXZBNVCZJM-UHFFFAOYSA-N 1 2 371.353 2.169 20 5 FEBDLO O=C(CN1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)NCc1ccccc1 ZINC000021435431 539683559 /nfs/dbraw/zinc/68/35/59/539683559.db2.gz BDASAQMSRJGODU-UHFFFAOYSA-N 1 2 368.437 2.029 20 5 FEBDLO CCCCNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000024059167 539725426 /nfs/dbraw/zinc/72/54/26/539725426.db2.gz ATGWQCACNMGCNO-UHFFFAOYSA-N 1 2 371.441 2.181 20 5 FEBDLO NC(=O)c1ccc(C[NH+]2CCN(c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000027342381 539805581 /nfs/dbraw/zinc/80/55/81/539805581.db2.gz CYTRSPKSNGRIGW-UHFFFAOYSA-N 1 2 358.373 2.155 20 5 FEBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000031183037 539900320 /nfs/dbraw/zinc/90/03/20/539900320.db2.gz JEFTWKZLSVDRSS-CYBMUJFWSA-N 1 2 357.366 2.305 20 5 FEBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000031183037 539900324 /nfs/dbraw/zinc/90/03/24/539900324.db2.gz JEFTWKZLSVDRSS-CYBMUJFWSA-N 1 2 357.366 2.305 20 5 FEBDLO Cc1c([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cnn1C ZINC000032166766 539930932 /nfs/dbraw/zinc/93/09/32/539930932.db2.gz HQEGXIDRUGCWAI-NSHDSACASA-N 1 2 354.370 2.313 20 5 FEBDLO COc1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccn1 ZINC000033244091 539972343 /nfs/dbraw/zinc/97/23/43/539972343.db2.gz GMMYNNNVUJYPLO-UHFFFAOYSA-N 1 2 353.338 2.114 20 5 FEBDLO Cc1nn(C[N@@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000800855482 674083354 /nfs/dbraw/zinc/08/33/54/674083354.db2.gz FKJXUVVVJOCMAF-INIZCTEOSA-N 1 2 353.423 2.294 20 5 FEBDLO Cc1nn(C[N@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000800855482 674083358 /nfs/dbraw/zinc/08/33/58/674083358.db2.gz FKJXUVVVJOCMAF-INIZCTEOSA-N 1 2 353.423 2.294 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000042157625 540053852 /nfs/dbraw/zinc/05/38/52/540053852.db2.gz XWCBVMZUSFBHEY-CYBMUJFWSA-N 1 2 353.400 2.077 20 5 FEBDLO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000046513766 540260441 /nfs/dbraw/zinc/26/04/41/540260441.db2.gz XDKDCZKSRUOUIG-UHFFFAOYSA-N 1 2 370.409 2.489 20 5 FEBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000056281091 540715506 /nfs/dbraw/zinc/71/55/06/540715506.db2.gz VDTGVEKTDZEFLW-UHFFFAOYSA-N 1 2 365.393 2.429 20 5 FEBDLO CCN(CC)C(=O)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065534068 541244154 /nfs/dbraw/zinc/24/41/54/541244154.db2.gz VWNGYOZPFIWACC-UHFFFAOYSA-N 1 2 350.419 2.053 20 5 FEBDLO O=C(N1CCCCC1)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065532753 541244178 /nfs/dbraw/zinc/24/41/78/541244178.db2.gz HLVIGNMRNKTRNR-UHFFFAOYSA-N 1 2 362.430 2.197 20 5 FEBDLO CC(C)NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000066854754 541381504 /nfs/dbraw/zinc/38/15/04/541381504.db2.gz LOAVBDQEEBFCQU-UHFFFAOYSA-N 1 2 374.363 2.260 20 5 FEBDLO CCN(CC)C(=O)C[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000068756047 541625059 /nfs/dbraw/zinc/62/50/59/541625059.db2.gz LVAPEYBTGCERBV-UHFFFAOYSA-N 1 2 354.838 2.239 20 5 FEBDLO COc1cc(OCC(=O)NCc2cn3cc(C)ccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000068882838 541636714 /nfs/dbraw/zinc/63/67/14/541636714.db2.gz RANRTHQEYGHAQQ-UHFFFAOYSA-N 1 2 370.365 2.255 20 5 FEBDLO COC(=O)CCCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000072657522 541846580 /nfs/dbraw/zinc/84/65/80/541846580.db2.gz VPNZJPIXDKNRHH-UHFFFAOYSA-N 1 2 360.370 2.244 20 5 FEBDLO Nc1c(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000077678464 542406942 /nfs/dbraw/zinc/40/69/42/542406942.db2.gz KMAVBNHFPYHLEI-UHFFFAOYSA-N 1 2 364.402 2.336 20 5 FEBDLO CC1(C)C[NH+]=C(N2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)S1 ZINC000085262631 542724694 /nfs/dbraw/zinc/72/46/94/542724694.db2.gz DGLKHQYMQJOHMK-UHFFFAOYSA-N 1 2 366.418 2.373 20 5 FEBDLO COc1cc(F)c([N+](=O)[O-])c(Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000092649922 542877433 /nfs/dbraw/zinc/87/74/33/542877433.db2.gz GDXHYTLBXSGJCR-UHFFFAOYSA-N 1 2 365.365 2.015 20 5 FEBDLO C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000104592408 543135731 /nfs/dbraw/zinc/13/57/31/543135731.db2.gz HDKYGJZJLBJGOE-OLZOCXBDSA-N 1 2 362.430 2.008 20 5 FEBDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000104669962 543136816 /nfs/dbraw/zinc/13/68/16/543136816.db2.gz GRFBZGSGXZISTG-NSHDSACASA-N 1 2 373.356 2.305 20 5 FEBDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000104669962 543136818 /nfs/dbraw/zinc/13/68/18/543136818.db2.gz GRFBZGSGXZISTG-NSHDSACASA-N 1 2 373.356 2.305 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(N2CCCC2=O)CC1 ZINC000104730357 543140656 /nfs/dbraw/zinc/14/06/56/543140656.db2.gz GERMIVOISAIUJV-ZDUSSCGKSA-N 1 2 360.414 2.009 20 5 FEBDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000115388650 543564585 /nfs/dbraw/zinc/56/45/85/543564585.db2.gz FOXZGCGXTYVODK-UHFFFAOYSA-N 1 2 371.441 2.212 20 5 FEBDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000123577611 543770505 /nfs/dbraw/zinc/77/05/05/543770505.db2.gz FACPPIXDVYSJRK-LLVKDONJSA-N 1 2 351.384 2.217 20 5 FEBDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000123577611 543770508 /nfs/dbraw/zinc/77/05/08/543770508.db2.gz FACPPIXDVYSJRK-LLVKDONJSA-N 1 2 351.384 2.217 20 5 FEBDLO C[C@H]1C[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000124012152 543796321 /nfs/dbraw/zinc/79/63/21/543796321.db2.gz DNAMAPVEXMJYFD-UWVGGRQHSA-N 1 2 359.835 2.152 20 5 FEBDLO C[C@H]1C[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000124012152 543796325 /nfs/dbraw/zinc/79/63/25/543796325.db2.gz DNAMAPVEXMJYFD-UWVGGRQHSA-N 1 2 359.835 2.152 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000127550547 544000301 /nfs/dbraw/zinc/00/03/01/544000301.db2.gz NIASDCTUBDYBGG-HNNXBMFYSA-N 1 2 368.340 2.466 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000127550547 544000303 /nfs/dbraw/zinc/00/03/03/544000303.db2.gz NIASDCTUBDYBGG-HNNXBMFYSA-N 1 2 368.340 2.466 20 5 FEBDLO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nc2ccsc2c(=O)[nH]1 ZINC000131827062 544208344 /nfs/dbraw/zinc/20/83/44/544208344.db2.gz GRWQBAHCVBGWBS-UHFFFAOYSA-N 1 2 360.395 2.404 20 5 FEBDLO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nc2ccsc2c(=O)[nH]1 ZINC000131827062 544208346 /nfs/dbraw/zinc/20/83/46/544208346.db2.gz GRWQBAHCVBGWBS-UHFFFAOYSA-N 1 2 360.395 2.404 20 5 FEBDLO O=C(c1ccccc1)N1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136812434 544379807 /nfs/dbraw/zinc/37/98/07/544379807.db2.gz NPFBAQOEPHZQBT-GOSISDBHSA-N 1 2 355.394 2.086 20 5 FEBDLO O=C(C[NH+]1CCC(OCCCO)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000154822365 544953541 /nfs/dbraw/zinc/95/35/41/544953541.db2.gz RUJZSYHDAXPFLU-UHFFFAOYSA-N 1 2 371.821 2.050 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000182922730 327793802 /nfs/dbraw/zinc/79/38/02/327793802.db2.gz ODIGDFCGJGZUHG-AWEZNQCLSA-N 1 2 370.409 2.111 20 5 FEBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000184953579 327891702 /nfs/dbraw/zinc/89/17/02/327891702.db2.gz KOKQJYCGIQTLJK-BUHFOSPRSA-N 1 2 367.409 2.445 20 5 FEBDLO O=C(Cc1cn2ccccc2[nH+]1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188455218 328088067 /nfs/dbraw/zinc/08/80/67/328088067.db2.gz UPEXYSPANHVSTP-UHFFFAOYSA-N 1 2 352.350 2.075 20 5 FEBDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000188781224 328110477 /nfs/dbraw/zinc/11/04/77/328110477.db2.gz TZAMJTNXIARWIT-NVXWUHKLSA-N 1 2 360.366 2.353 20 5 FEBDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000188781224 328110479 /nfs/dbraw/zinc/11/04/79/328110479.db2.gz TZAMJTNXIARWIT-NVXWUHKLSA-N 1 2 360.366 2.353 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000189268412 328138125 /nfs/dbraw/zinc/13/81/25/328138125.db2.gz CFHMJBKJNNYLBF-MLGOLLRUSA-N 1 2 351.403 2.289 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000189268412 328138126 /nfs/dbraw/zinc/13/81/26/328138126.db2.gz CFHMJBKJNNYLBF-MLGOLLRUSA-N 1 2 351.403 2.289 20 5 FEBDLO COC[C@H]1C[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)O1 ZINC000189401788 328145797 /nfs/dbraw/zinc/14/57/97/328145797.db2.gz BUOCXLBPCFVVGC-TYNCELHUSA-N 1 2 362.386 2.442 20 5 FEBDLO COC[C@H]1C[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)O1 ZINC000189401788 328145799 /nfs/dbraw/zinc/14/57/99/328145799.db2.gz BUOCXLBPCFVVGC-TYNCELHUSA-N 1 2 362.386 2.442 20 5 FEBDLO Cc1cccc(OC[C@@H](O)C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000189462998 328149717 /nfs/dbraw/zinc/14/97/17/328149717.db2.gz ZCSXCQJGPQDLJV-INIZCTEOSA-N 1 2 358.394 2.406 20 5 FEBDLO Cc1ccc(OC[C@@H](O)C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000189462661 328149752 /nfs/dbraw/zinc/14/97/52/328149752.db2.gz GHQNTJMGBPXADE-INIZCTEOSA-N 1 2 358.394 2.406 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000053845882 324750045 /nfs/dbraw/zinc/75/00/45/324750045.db2.gz XEZHFJOLLODPJJ-UHFFFAOYSA-N 1 2 374.441 2.176 20 5 FEBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000080944070 325149749 /nfs/dbraw/zinc/14/97/49/325149749.db2.gz QRLXSERLBYIQTL-CYBMUJFWSA-N 1 2 353.806 2.185 20 5 FEBDLO O=C(CN1CC[NH+](Cc2cccc(O)c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000081010927 325153755 /nfs/dbraw/zinc/15/37/55/325153755.db2.gz XQJFYBKPSWCDOV-UHFFFAOYSA-N 1 2 370.409 2.057 20 5 FEBDLO Cc1ccc([C@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCO2)c(C)c1 ZINC000090550792 325362798 /nfs/dbraw/zinc/36/27/98/325362798.db2.gz YMCCPMPVYKTRDF-GOSISDBHSA-N 1 2 357.410 2.447 20 5 FEBDLO Cc1ccc([C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCO2)c(C)c1 ZINC000090550792 325362801 /nfs/dbraw/zinc/36/28/01/325362801.db2.gz YMCCPMPVYKTRDF-GOSISDBHSA-N 1 2 357.410 2.447 20 5 FEBDLO COCC[N@H+](CC(=O)N(C)C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000091774056 325393382 /nfs/dbraw/zinc/39/33/82/325393382.db2.gz PWACVPWPGZGVMT-UHFFFAOYSA-N 1 2 361.398 2.391 20 5 FEBDLO COCC[N@@H+](CC(=O)N(C)C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000091774056 325393384 /nfs/dbraw/zinc/39/33/84/325393384.db2.gz PWACVPWPGZGVMT-UHFFFAOYSA-N 1 2 361.398 2.391 20 5 FEBDLO Cc1cccn2cc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)[nH+]c12 ZINC000106997284 325618179 /nfs/dbraw/zinc/61/81/79/325618179.db2.gz PISOWQHFHCYQRT-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO CCOC(=O)c1c[nH]n(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c1=N ZINC000118838846 326106332 /nfs/dbraw/zinc/10/63/32/326106332.db2.gz RAFJTEUMPJFSCE-UHFFFAOYSA-N 1 2 373.413 2.218 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCc2cn3ccccc3[nH+]2)s1 ZINC000129108711 326534820 /nfs/dbraw/zinc/53/48/20/326534820.db2.gz UCVQKXAVJRJDHG-UHFFFAOYSA-N 1 2 366.424 2.362 20 5 FEBDLO Cc1cc(C[C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[nH]n1 ZINC000161487037 327000974 /nfs/dbraw/zinc/00/09/74/327000974.db2.gz OBPZCKJDAAWSIA-NSHDSACASA-N 1 2 354.370 2.173 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCS[C@H]2COCC[C@@H]21 ZINC000162493112 327027138 /nfs/dbraw/zinc/02/71/38/327027138.db2.gz SQSWVQBGHJMPCG-HOCLYGCPSA-N 1 2 374.422 2.127 20 5 FEBDLO CC1(C)C[N@H+](CCNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCO1 ZINC000170640465 327089913 /nfs/dbraw/zinc/08/99/13/327089913.db2.gz MQQXYJCSTRGYQJ-UHFFFAOYSA-N 1 2 362.430 2.010 20 5 FEBDLO CC1(C)C[N@@H+](CCNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCO1 ZINC000170640465 327089914 /nfs/dbraw/zinc/08/99/14/327089914.db2.gz MQQXYJCSTRGYQJ-UHFFFAOYSA-N 1 2 362.430 2.010 20 5 FEBDLO CCc1n[nH]c(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)c1[N+](=O)[O-] ZINC000171369547 327135399 /nfs/dbraw/zinc/13/53/99/327135399.db2.gz NUPROCWJNBPUNX-ZDUSSCGKSA-N 1 2 372.360 2.272 20 5 FEBDLO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC(n2cc[nH+]c2)CC1 ZINC000263830971 328966738 /nfs/dbraw/zinc/96/67/38/328966738.db2.gz UBIVFQKRZRKZLJ-UHFFFAOYSA-N 1 2 358.354 2.040 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264044045 328987583 /nfs/dbraw/zinc/98/75/83/328987583.db2.gz WJXQFCZVQFSGIR-HNNXBMFYSA-N 1 2 372.425 2.286 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)[nH]1 ZINC000265056219 329086563 /nfs/dbraw/zinc/08/65/63/329086563.db2.gz UKLCXNWYRAWALE-UHFFFAOYSA-N 1 2 355.354 2.472 20 5 FEBDLO C[C@H](c1cccnc1)[NH+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000265526979 329135870 /nfs/dbraw/zinc/13/58/70/329135870.db2.gz ULFVIRTWZHALIY-OAHLLOKOSA-N 1 2 369.425 2.307 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000265606955 329142567 /nfs/dbraw/zinc/14/25/67/329142567.db2.gz KOGJYLWPYHNFQJ-ORPWPGRKSA-N 1 2 353.444 2.073 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000265606955 329142569 /nfs/dbraw/zinc/14/25/69/329142569.db2.gz KOGJYLWPYHNFQJ-ORPWPGRKSA-N 1 2 353.444 2.073 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000266034979 329183766 /nfs/dbraw/zinc/18/37/66/329183766.db2.gz VZHJWJBUGDXMSD-UHFFFAOYSA-N 1 2 356.382 2.065 20 5 FEBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000267284300 329310690 /nfs/dbraw/zinc/31/06/90/329310690.db2.gz ILZUZEKRLIIZBB-CYBMUJFWSA-N 1 2 355.398 2.091 20 5 FEBDLO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccco1 ZINC000276106916 330119858 /nfs/dbraw/zinc/11/98/58/330119858.db2.gz UVQYVFOUMFIKRC-ZDUSSCGKSA-N 1 2 353.400 2.306 20 5 FEBDLO O=C(N1CC[NH2+][C@@H](c2cccnc2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000367243683 330235397 /nfs/dbraw/zinc/23/53/97/330235397.db2.gz LLICWGCPFRIGBN-OAHLLOKOSA-N 1 2 362.336 2.255 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000371448142 330242760 /nfs/dbraw/zinc/24/27/60/330242760.db2.gz ACXQVSINPXMIQN-LLVKDONJSA-N 1 2 371.319 2.395 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000371448142 330242761 /nfs/dbraw/zinc/24/27/61/330242761.db2.gz ACXQVSINPXMIQN-LLVKDONJSA-N 1 2 371.319 2.395 20 5 FEBDLO O=C(NCCOCC(F)(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448645187 330280547 /nfs/dbraw/zinc/28/05/47/330280547.db2.gz VTDGVDRYOOKXBQ-UHFFFAOYSA-N 1 2 358.276 2.089 20 5 FEBDLO O=C(C1CCC1)N1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000477876832 561155384 /nfs/dbraw/zinc/15/53/84/561155384.db2.gz LBDKHVZZZQEMSY-UHFFFAOYSA-N 1 2 350.394 2.090 20 5 FEBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C1([NH+]2CCOCC2)CCCC1 ZINC000158040611 545816509 /nfs/dbraw/zinc/81/65/09/545816509.db2.gz HTZBGDDGKHFITL-ZDUSSCGKSA-N 1 2 363.414 2.064 20 5 FEBDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000159764942 545978531 /nfs/dbraw/zinc/97/85/31/545978531.db2.gz KRXXURXQCRQTAB-NSHDSACASA-N 1 2 357.407 2.126 20 5 FEBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161011470 546092619 /nfs/dbraw/zinc/09/26/19/546092619.db2.gz RXIVQVJITYLGKX-UHFFFAOYSA-N 1 2 369.425 2.060 20 5 FEBDLO COc1ccccc1C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000171111129 546191140 /nfs/dbraw/zinc/19/11/40/546191140.db2.gz AUHYONDMVOTOMX-UHFFFAOYSA-N 1 2 370.409 2.265 20 5 FEBDLO COC(=O)[C@@]1(C)CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000177429903 546616384 /nfs/dbraw/zinc/61/63/84/546616384.db2.gz ZJPBVHBBNADJAI-HNNXBMFYSA-N 1 2 355.778 2.072 20 5 FEBDLO COC(=O)[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000177429903 546616387 /nfs/dbraw/zinc/61/63/87/546616387.db2.gz ZJPBVHBBNADJAI-HNNXBMFYSA-N 1 2 355.778 2.072 20 5 FEBDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000481205787 561227844 /nfs/dbraw/zinc/22/78/44/561227844.db2.gz XIEGVHQDQBLRGR-HIFRSBDPSA-N 1 2 350.325 2.376 20 5 FEBDLO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000481205787 561227845 /nfs/dbraw/zinc/22/78/45/561227845.db2.gz XIEGVHQDQBLRGR-HIFRSBDPSA-N 1 2 350.325 2.376 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000179860104 547022019 /nfs/dbraw/zinc/02/20/19/547022019.db2.gz UVUPBGYWUWRHHY-UHFFFAOYSA-N 1 2 365.393 2.201 20 5 FEBDLO COc1cc(C[N@H+](C)C2(C(N)=O)CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000180700207 547161551 /nfs/dbraw/zinc/16/15/51/547161551.db2.gz IEMVASGGOPZLLY-UHFFFAOYSA-N 1 2 373.356 2.435 20 5 FEBDLO COc1cc(C[N@@H+](C)C2(C(N)=O)CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000180700207 547161556 /nfs/dbraw/zinc/16/15/56/547161556.db2.gz IEMVASGGOPZLLY-UHFFFAOYSA-N 1 2 373.356 2.435 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000483056522 561266185 /nfs/dbraw/zinc/26/61/85/561266185.db2.gz LEHUFVUEBUZDSQ-ZFWWWQNUSA-N 1 2 363.414 2.192 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccn3cc[nH+]c3c2)s1 ZINC000181530572 547329348 /nfs/dbraw/zinc/32/93/48/547329348.db2.gz GXHVRYWGVONNSI-UHFFFAOYSA-N 1 2 352.397 2.320 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000182596539 547519865 /nfs/dbraw/zinc/51/98/65/547519865.db2.gz QOLLWFBHCZCKRV-MRXNPFEDSA-N 1 2 360.458 2.204 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000182596539 547519868 /nfs/dbraw/zinc/51/98/68/547519868.db2.gz QOLLWFBHCZCKRV-MRXNPFEDSA-N 1 2 360.458 2.204 20 5 FEBDLO O=C(CNc1ccccc1[N+](=O)[O-])N1CCCN(c2cccc[nH+]2)CC1 ZINC000184228744 547791655 /nfs/dbraw/zinc/79/16/55/547791655.db2.gz PWXRDPJSNDEZMY-UHFFFAOYSA-N 1 2 355.398 2.141 20 5 FEBDLO Cc1ccc(NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)cc1[N+](=O)[O-] ZINC000485414619 561318629 /nfs/dbraw/zinc/31/86/29/561318629.db2.gz XYIANNABZGGEJW-OAHLLOKOSA-N 1 2 373.413 2.338 20 5 FEBDLO Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)cc1[N+](=O)[O-] ZINC000485414619 561318630 /nfs/dbraw/zinc/31/86/30/561318630.db2.gz XYIANNABZGGEJW-OAHLLOKOSA-N 1 2 373.413 2.338 20 5 FEBDLO CN(C)c1[nH+]cccc1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000485826347 561329198 /nfs/dbraw/zinc/32/91/98/561329198.db2.gz HZPIDNGLZBMDDD-UHFFFAOYSA-N 1 2 350.325 2.193 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000186476750 548141104 /nfs/dbraw/zinc/14/11/04/548141104.db2.gz DCGKHMSBXRNOOR-UHFFFAOYSA-N 1 2 356.382 2.351 20 5 FEBDLO CC(C)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000486626526 561352612 /nfs/dbraw/zinc/35/26/12/561352612.db2.gz IGLMEWOVUVNTLM-CYBMUJFWSA-N 1 2 361.851 2.209 20 5 FEBDLO CC(C)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000486626526 561352613 /nfs/dbraw/zinc/35/26/13/561352613.db2.gz IGLMEWOVUVNTLM-CYBMUJFWSA-N 1 2 361.851 2.209 20 5 FEBDLO C[N@@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000194775854 548530950 /nfs/dbraw/zinc/53/09/50/548530950.db2.gz XDWOBPXIIDQPQP-KRWDZBQOSA-N 1 2 361.423 2.272 20 5 FEBDLO C[N@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000194775854 548530953 /nfs/dbraw/zinc/53/09/53/548530953.db2.gz XDWOBPXIIDQPQP-KRWDZBQOSA-N 1 2 361.423 2.272 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195232596 548600411 /nfs/dbraw/zinc/60/04/11/548600411.db2.gz JJCMIQNPNYSZRG-OAHLLOKOSA-N 1 2 353.444 2.016 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195232596 548600416 /nfs/dbraw/zinc/60/04/16/548600416.db2.gz JJCMIQNPNYSZRG-OAHLLOKOSA-N 1 2 353.444 2.016 20 5 FEBDLO O=[N+]([O-])c1cnn(CCNc2cc(N3CCc4ccccc43)nc[nH+]2)c1 ZINC000488089939 561383343 /nfs/dbraw/zinc/38/33/43/561383343.db2.gz PZBYSWBIHUBIEB-UHFFFAOYSA-N 1 2 351.370 2.388 20 5 FEBDLO Cc1ccc(-n2cnc3c2CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C3)cc1 ZINC000488095776 561383426 /nfs/dbraw/zinc/38/34/26/561383426.db2.gz RWDNSWUHVSVKAA-UHFFFAOYSA-N 1 2 352.398 2.381 20 5 FEBDLO Cc1ccc(-n2cnc3c2CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C3)cc1 ZINC000488095776 561383427 /nfs/dbraw/zinc/38/34/27/561383427.db2.gz RWDNSWUHVSVKAA-UHFFFAOYSA-N 1 2 352.398 2.381 20 5 FEBDLO Cc1ccc(-n2c[nH+]c3c2CCN(Cc2c([N+](=O)[O-])ncn2C)C3)cc1 ZINC000488095776 561383428 /nfs/dbraw/zinc/38/34/28/561383428.db2.gz RWDNSWUHVSVKAA-UHFFFAOYSA-N 1 2 352.398 2.381 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000248753620 549497169 /nfs/dbraw/zinc/49/71/69/549497169.db2.gz GTILSECGLDTYAI-CLLJXQQHSA-N 1 2 351.403 2.166 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000248753620 549497172 /nfs/dbraw/zinc/49/71/72/549497172.db2.gz GTILSECGLDTYAI-CLLJXQQHSA-N 1 2 351.403 2.166 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C ZINC000249057943 549543955 /nfs/dbraw/zinc/54/39/55/549543955.db2.gz JBUGDRXZRDVPSH-SMDDNHRTSA-N 1 2 360.370 2.276 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C ZINC000249057943 549543959 /nfs/dbraw/zinc/54/39/59/549543959.db2.gz JBUGDRXZRDVPSH-SMDDNHRTSA-N 1 2 360.370 2.276 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000249779133 549628132 /nfs/dbraw/zinc/62/81/32/549628132.db2.gz YMIAWOHVFYKGCA-LBPRGKRZSA-N 1 2 373.862 2.415 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000249779133 549628137 /nfs/dbraw/zinc/62/81/37/549628137.db2.gz YMIAWOHVFYKGCA-LBPRGKRZSA-N 1 2 373.862 2.415 20 5 FEBDLO COC(=O)C(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000489916367 561422419 /nfs/dbraw/zinc/42/24/19/561422419.db2.gz WMVXZNLUVOSNOX-UHFFFAOYSA-N 1 2 358.398 2.217 20 5 FEBDLO Cc1nn(C)c(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000255696204 549707641 /nfs/dbraw/zinc/70/76/41/549707641.db2.gz FEKCDUMOMPTNDS-TWGQIWQCSA-N 1 2 369.425 2.108 20 5 FEBDLO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269188326 550165174 /nfs/dbraw/zinc/16/51/74/550165174.db2.gz NGXDVNAKRRUKMM-UHFFFAOYSA-N 1 2 371.393 2.063 20 5 FEBDLO Cn1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000492791963 561452777 /nfs/dbraw/zinc/45/27/77/561452777.db2.gz HTECRRXAPZBBOF-LBPRGKRZSA-N 1 2 366.381 2.006 20 5 FEBDLO Cn1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000492791963 561452778 /nfs/dbraw/zinc/45/27/78/561452778.db2.gz HTECRRXAPZBBOF-LBPRGKRZSA-N 1 2 366.381 2.006 20 5 FEBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269560137 550206302 /nfs/dbraw/zinc/20/63/02/550206302.db2.gz FDQBFHIAMLOLRJ-UHFFFAOYSA-N 1 2 374.401 2.234 20 5 FEBDLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269670464 550215603 /nfs/dbraw/zinc/21/56/03/550215603.db2.gz UHXBJZPDLPAANI-QGZVFWFLSA-N 1 2 364.423 2.164 20 5 FEBDLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269670464 550215605 /nfs/dbraw/zinc/21/56/05/550215605.db2.gz UHXBJZPDLPAANI-QGZVFWFLSA-N 1 2 364.423 2.164 20 5 FEBDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000270701545 550298237 /nfs/dbraw/zinc/29/82/37/550298237.db2.gz MIFNEPRYTISDPG-IUODEOHRSA-N 1 2 350.325 2.376 20 5 FEBDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000270701545 550298238 /nfs/dbraw/zinc/29/82/38/550298238.db2.gz MIFNEPRYTISDPG-IUODEOHRSA-N 1 2 350.325 2.376 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+]CCN1CCOCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272471531 550451092 /nfs/dbraw/zinc/45/10/92/550451092.db2.gz ALMOSWHZXSFARB-QGZVFWFLSA-N 1 2 373.457 2.118 20 5 FEBDLO O=C(C[N@H+](Cc1ccccn1)C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000272499724 550453641 /nfs/dbraw/zinc/45/36/41/550453641.db2.gz GMTBRCGFEQMSAO-UHFFFAOYSA-N 1 2 370.365 2.322 20 5 FEBDLO O=C(C[N@@H+](Cc1ccccn1)C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000272499724 550453643 /nfs/dbraw/zinc/45/36/43/550453643.db2.gz GMTBRCGFEQMSAO-UHFFFAOYSA-N 1 2 370.365 2.322 20 5 FEBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(CN(C)c3ccccc3[N+](=O)[O-])n2)C1 ZINC000272581652 550458929 /nfs/dbraw/zinc/45/89/29/550458929.db2.gz FAUIUSMZXMSOOE-OAHLLOKOSA-N 1 2 361.402 2.396 20 5 FEBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(CN(C)c3ccccc3[N+](=O)[O-])n2)C1 ZINC000272581652 550458931 /nfs/dbraw/zinc/45/89/31/550458931.db2.gz FAUIUSMZXMSOOE-OAHLLOKOSA-N 1 2 361.402 2.396 20 5 FEBDLO O=C(C[N@H+](Cc1cccnc1)C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000272603749 550460456 /nfs/dbraw/zinc/46/04/56/550460456.db2.gz UTZCTIIYYYAYJV-UHFFFAOYSA-N 1 2 370.365 2.322 20 5 FEBDLO O=C(C[N@@H+](Cc1cccnc1)C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000272603749 550460458 /nfs/dbraw/zinc/46/04/58/550460458.db2.gz UTZCTIIYYYAYJV-UHFFFAOYSA-N 1 2 370.365 2.322 20 5 FEBDLO CCc1nc(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)no1 ZINC000274142150 550525108 /nfs/dbraw/zinc/52/51/08/550525108.db2.gz XJFLTTRKCKBFJG-UHFFFAOYSA-N 1 2 371.401 2.129 20 5 FEBDLO CCc1nc(C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)no1 ZINC000274142150 550525109 /nfs/dbraw/zinc/52/51/09/550525109.db2.gz XJFLTTRKCKBFJG-UHFFFAOYSA-N 1 2 371.401 2.129 20 5 FEBDLO Cc1nnc(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)s1 ZINC000274799821 550555330 /nfs/dbraw/zinc/55/53/30/550555330.db2.gz DYWSQLCALKBQAP-UHFFFAOYSA-N 1 2 373.442 2.343 20 5 FEBDLO Cc1nnc(C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)s1 ZINC000274799821 550555331 /nfs/dbraw/zinc/55/53/31/550555331.db2.gz DYWSQLCALKBQAP-UHFFFAOYSA-N 1 2 373.442 2.343 20 5 FEBDLO COc1cc(CCNc2nc[nH+]c(N)c2Cl)c([N+](=O)[O-])cc1OC ZINC000277464486 550673683 /nfs/dbraw/zinc/67/36/83/550673683.db2.gz OHXXLQFPMOBOQE-UHFFFAOYSA-N 1 2 353.766 2.292 20 5 FEBDLO COc1cc(CCNc2[nH+]cnc(N)c2Cl)c([N+](=O)[O-])cc1OC ZINC000277464486 550673685 /nfs/dbraw/zinc/67/36/85/550673685.db2.gz OHXXLQFPMOBOQE-UHFFFAOYSA-N 1 2 353.766 2.292 20 5 FEBDLO O=[N+]([O-])c1ccc2c(c1NCc1ccc(N3CCOCC3)[nH+]c1)CCN2 ZINC000278146476 550754466 /nfs/dbraw/zinc/75/44/66/550754466.db2.gz BAJCBURNKCZJGL-UHFFFAOYSA-N 1 2 355.398 2.407 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]c(NCc3cc[nH+]c(N4CCOCC4)c3)nc2c1 ZINC000278546161 550797906 /nfs/dbraw/zinc/79/79/06/550797906.db2.gz VJMGXRDVSXWEFQ-UHFFFAOYSA-N 1 2 354.370 2.315 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000278890349 550833138 /nfs/dbraw/zinc/83/31/38/550833138.db2.gz PPKIOEOFCQNPHI-NSHDSACASA-N 1 2 356.810 2.433 20 5 FEBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000279664309 550914163 /nfs/dbraw/zinc/91/41/63/550914163.db2.gz IXJMKERKBWBJMF-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000279664309 550914165 /nfs/dbraw/zinc/91/41/65/550914165.db2.gz IXJMKERKBWBJMF-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000279703791 550919036 /nfs/dbraw/zinc/91/90/36/550919036.db2.gz HGIPSSRQOXNCOC-MMQJMDILSA-N 1 2 363.414 2.190 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000279703791 550919037 /nfs/dbraw/zinc/91/90/37/550919037.db2.gz HGIPSSRQOXNCOC-MMQJMDILSA-N 1 2 363.414 2.190 20 5 FEBDLO CC1(C)C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@]2(CCOC2)O1 ZINC000280492711 550999946 /nfs/dbraw/zinc/99/99/46/550999946.db2.gz MKDRREBHXLHCLG-GOSISDBHSA-N 1 2 374.397 2.415 20 5 FEBDLO CC1(C)C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@]2(CCOC2)O1 ZINC000280492711 550999947 /nfs/dbraw/zinc/99/99/47/550999947.db2.gz MKDRREBHXLHCLG-GOSISDBHSA-N 1 2 374.397 2.415 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@H+](CCCO)Cc2ccccn2)c2c(c1)COCO2 ZINC000280699747 551022956 /nfs/dbraw/zinc/02/29/56/551022956.db2.gz ALYWBMRHHOHBBO-UHFFFAOYSA-N 1 2 359.382 2.241 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@@H+](CCCO)Cc2ccccn2)c2c(c1)COCO2 ZINC000280699747 551022957 /nfs/dbraw/zinc/02/29/57/551022957.db2.gz ALYWBMRHHOHBBO-UHFFFAOYSA-N 1 2 359.382 2.241 20 5 FEBDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000496943741 561496581 /nfs/dbraw/zinc/49/65/81/561496581.db2.gz GIGNIBVSLXIBIA-LBPRGKRZSA-N 1 2 374.378 2.047 20 5 FEBDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000496943741 561496582 /nfs/dbraw/zinc/49/65/82/561496582.db2.gz GIGNIBVSLXIBIA-LBPRGKRZSA-N 1 2 374.378 2.047 20 5 FEBDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000282805427 551272458 /nfs/dbraw/zinc/27/24/58/551272458.db2.gz SGGWFTKUNYKJHE-OAHLLOKOSA-N 1 2 350.396 2.474 20 5 FEBDLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000282805427 551272459 /nfs/dbraw/zinc/27/24/59/551272459.db2.gz SGGWFTKUNYKJHE-OAHLLOKOSA-N 1 2 350.396 2.474 20 5 FEBDLO C[N@@H+]1C[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](c2ccccc2)C1 ZINC000497801934 561509201 /nfs/dbraw/zinc/50/92/01/561509201.db2.gz DZUDCVXMJGIVTM-NVXWUHKLSA-N 1 2 365.393 2.299 20 5 FEBDLO C[N@H+]1C[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](c2ccccc2)C1 ZINC000497801934 561509202 /nfs/dbraw/zinc/50/92/02/561509202.db2.gz DZUDCVXMJGIVTM-NVXWUHKLSA-N 1 2 365.393 2.299 20 5 FEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000497993699 561513409 /nfs/dbraw/zinc/51/34/09/561513409.db2.gz PGXZSXFRQJXFGW-UONOGXRCSA-N 1 2 355.460 2.315 20 5 FEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000497993699 561513410 /nfs/dbraw/zinc/51/34/10/561513410.db2.gz PGXZSXFRQJXFGW-UONOGXRCSA-N 1 2 355.460 2.315 20 5 FEBDLO CC(C)(CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[NH+]1CCOCC1 ZINC000284124515 551488330 /nfs/dbraw/zinc/48/83/30/551488330.db2.gz UKWCPJZAVIEYIS-UHFFFAOYSA-N 1 2 356.810 2.481 20 5 FEBDLO C[N@@H+]1CCO[C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000284417888 551544978 /nfs/dbraw/zinc/54/49/78/551544978.db2.gz RAFGWVVTKBZQCH-ZFWWWQNUSA-N 1 2 357.357 2.101 20 5 FEBDLO C[N@H+]1CCO[C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000284417888 551544979 /nfs/dbraw/zinc/54/49/79/551544979.db2.gz RAFGWVVTKBZQCH-ZFWWWQNUSA-N 1 2 357.357 2.101 20 5 FEBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H](C)O1 ZINC000285226032 551723565 /nfs/dbraw/zinc/72/35/65/551723565.db2.gz VBUUMHOYLOBTBT-VXGBXAGGSA-N 1 2 359.386 2.179 20 5 FEBDLO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285310721 551735820 /nfs/dbraw/zinc/73/58/20/551735820.db2.gz MUWAEVJITUNBNN-QMMMGPOBSA-N 1 2 367.274 2.373 20 5 FEBDLO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285310721 551735821 /nfs/dbraw/zinc/73/58/21/551735821.db2.gz MUWAEVJITUNBNN-QMMMGPOBSA-N 1 2 367.274 2.373 20 5 FEBDLO CC[C@@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H](C)[S@]1=O ZINC000285888103 551823707 /nfs/dbraw/zinc/82/37/07/551823707.db2.gz JWNZHUQQSDVYKD-TUBUTJRMSA-N 1 2 356.444 2.214 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H](C)[S@]1=O ZINC000285888103 551823709 /nfs/dbraw/zinc/82/37/09/551823709.db2.gz JWNZHUQQSDVYKD-TUBUTJRMSA-N 1 2 356.444 2.214 20 5 FEBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000499256454 561546879 /nfs/dbraw/zinc/54/68/79/561546879.db2.gz OGACNOKPLFCDEF-RISCZKNCSA-N 1 2 357.370 2.012 20 5 FEBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000499256454 561546880 /nfs/dbraw/zinc/54/68/80/561546880.db2.gz OGACNOKPLFCDEF-RISCZKNCSA-N 1 2 357.370 2.012 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000289874086 552392429 /nfs/dbraw/zinc/39/24/29/552392429.db2.gz AFEVJRKJGYRWQY-UHFFFAOYSA-N 1 2 371.397 2.225 20 5 FEBDLO C[C@@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000292216919 552705487 /nfs/dbraw/zinc/70/54/87/552705487.db2.gz HTZYOQNCEQWBHJ-KGLIPLIRSA-N 1 2 364.446 2.238 20 5 FEBDLO CCOc1cc([N+](=O)[O-])c(C(=O)NCc2c[nH+]ccc2OC)cc1OC ZINC000293463643 552826363 /nfs/dbraw/zinc/82/63/63/552826363.db2.gz VXILRTFGZRZEIT-UHFFFAOYSA-N 1 2 361.354 2.336 20 5 FEBDLO CC[N@H+](CC(=O)NCCn1cc([N+](=O)[O-])cn1)Cc1ccccc1Cl ZINC000501650128 561602999 /nfs/dbraw/zinc/60/29/99/561602999.db2.gz UHYYRTDISLUXJS-UHFFFAOYSA-N 1 2 365.821 2.083 20 5 FEBDLO CC[N@@H+](CC(=O)NCCn1cc([N+](=O)[O-])cn1)Cc1ccccc1Cl ZINC000501650128 561603000 /nfs/dbraw/zinc/60/30/00/561603000.db2.gz UHYYRTDISLUXJS-UHFFFAOYSA-N 1 2 365.821 2.083 20 5 FEBDLO Cc1ccc2[nH+]cc(CN3CCN(c4ncccc4[N+](=O)[O-])CC3)n2c1 ZINC000296028776 553092486 /nfs/dbraw/zinc/09/24/86/553092486.db2.gz OATAIQDVUVVUGB-UHFFFAOYSA-N 1 2 352.398 2.268 20 5 FEBDLO Cc1cc(Cl)c(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000296093815 553103483 /nfs/dbraw/zinc/10/34/83/553103483.db2.gz DCWGOHAGYJRMPK-LBPRGKRZSA-N 1 2 355.822 2.349 20 5 FEBDLO COC(=O)c1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)oc1C ZINC000296126830 553109114 /nfs/dbraw/zinc/10/91/14/553109114.db2.gz VVTROYUXSQSSOZ-UHFFFAOYSA-N 1 2 360.370 2.000 20 5 FEBDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296890649 553225762 /nfs/dbraw/zinc/22/57/62/553225762.db2.gz CVAUVXDINAUTGV-UHFFFAOYSA-N 1 2 356.386 2.356 20 5 FEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000298068965 553379765 /nfs/dbraw/zinc/37/97/65/553379765.db2.gz KWJGODGAPPWHFN-OAHLLOKOSA-N 1 2 364.352 2.124 20 5 FEBDLO Cc1cc(OCC(=O)N2CC[NH+](Cc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000298530198 553436638 /nfs/dbraw/zinc/43/66/38/553436638.db2.gz ZZVJUDQSFROKES-UHFFFAOYSA-N 1 2 370.409 2.021 20 5 FEBDLO COc1ccc(NC(=O)CC[N@@H+]2CCOC[C@@H]2CC(F)F)c([N+](=O)[O-])c1 ZINC000298581119 553443678 /nfs/dbraw/zinc/44/36/78/553443678.db2.gz RANKRAPEMXKGRG-NSHDSACASA-N 1 2 373.356 2.288 20 5 FEBDLO COc1ccc(NC(=O)CC[N@H+]2CCOC[C@@H]2CC(F)F)c([N+](=O)[O-])c1 ZINC000298581119 553443680 /nfs/dbraw/zinc/44/36/80/553443680.db2.gz RANKRAPEMXKGRG-NSHDSACASA-N 1 2 373.356 2.288 20 5 FEBDLO O=C1CCc2cc([N+](=O)[O-])c(N3CC[NH+](Cc4ccco4)CC3)cc2N1 ZINC000298725265 553464530 /nfs/dbraw/zinc/46/45/30/553464530.db2.gz QLEBYUUXMPGZBO-UHFFFAOYSA-N 1 2 356.382 2.395 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000299310930 553546020 /nfs/dbraw/zinc/54/60/20/553546020.db2.gz OUNAVAOGTKEMHE-CYBMUJFWSA-N 1 2 371.397 2.279 20 5 FEBDLO Cc1cc(N2C[C@@H](C(N)=O)CC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301110513 553622895 /nfs/dbraw/zinc/62/28/95/553622895.db2.gz MXZGYLHVSSVNFR-JSGCOSHPSA-N 1 2 355.398 2.450 20 5 FEBDLO CCc1cc(NC[C@H]2C[N@H+](C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301168606 553627870 /nfs/dbraw/zinc/62/78/70/553627870.db2.gz WIIIMQUIJLEVPI-INIZCTEOSA-N 1 2 357.414 2.357 20 5 FEBDLO CCc1cc(NC[C@H]2C[N@@H+](C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301168606 553627871 /nfs/dbraw/zinc/62/78/71/553627871.db2.gz WIIIMQUIJLEVPI-INIZCTEOSA-N 1 2 357.414 2.357 20 5 FEBDLO Cc1ccc(N2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000301431757 553651528 /nfs/dbraw/zinc/65/15/28/553651528.db2.gz GZXHIMSHENVFJK-OAHLLOKOSA-N 1 2 360.458 2.473 20 5 FEBDLO COCc1cc([N+](=O)[O-])ccc1N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000301597792 553664616 /nfs/dbraw/zinc/66/46/16/553664616.db2.gz SVTBGKRQHOWPIK-LBPRGKRZSA-N 1 2 350.444 2.355 20 5 FEBDLO O=[N+]([O-])c1cnc2ccc(NC[C@@H](c3ccccc3)[NH+]3CCOCC3)nn21 ZINC000301929893 553692445 /nfs/dbraw/zinc/69/24/45/553692445.db2.gz NZFNJHIHQCGAAW-HNNXBMFYSA-N 1 2 368.397 2.123 20 5 FEBDLO O=[N+]([O-])c1cnc2ccc(N3CC[NH+](Cc4ccc(Cl)nc4)CC3)nn21 ZINC000301991222 553696746 /nfs/dbraw/zinc/69/67/46/553696746.db2.gz MMLLQVJKBMOXKO-UHFFFAOYSA-N 1 2 373.804 2.008 20 5 FEBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000505490570 561672166 /nfs/dbraw/zinc/67/21/66/561672166.db2.gz FIYCYVXVJOXFJM-INIZCTEOSA-N 1 2 358.423 2.255 20 5 FEBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000505490571 561672190 /nfs/dbraw/zinc/67/21/90/561672190.db2.gz FIYCYVXVJOXFJM-MRXNPFEDSA-N 1 2 358.423 2.255 20 5 FEBDLO COC(=O)C[C@@](C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccn1 ZINC000509123070 561785603 /nfs/dbraw/zinc/78/56/03/561785603.db2.gz FTSYYHRNELDEFF-GOSISDBHSA-N 1 2 369.381 2.434 20 5 FEBDLO Cc1cc(N[C@H]2CC(=O)N3CCCC[C@H]23)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000509480857 561801315 /nfs/dbraw/zinc/80/13/15/561801315.db2.gz TXRWMXWSIHZOIT-JKSUJKDBSA-N 1 2 367.409 2.347 20 5 FEBDLO Cc1ccc(S(=O)(=O)NCc2cn3cc(C)ccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000509778062 561813545 /nfs/dbraw/zinc/81/35/45/561813545.db2.gz SHPSQCZDRUDOIA-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000511300188 561864386 /nfs/dbraw/zinc/86/43/86/561864386.db2.gz KCKRFYKDZGUIDA-CYBMUJFWSA-N 1 2 370.818 2.411 20 5 FEBDLO Cn1cc[nH+]c1CNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000361278457 554914287 /nfs/dbraw/zinc/91/42/87/554914287.db2.gz MMALYZRAPQHKKG-NVXWUHKLSA-N 1 2 369.425 2.176 20 5 FEBDLO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCOC[C@H]1C1CC1 ZINC000362066557 554947355 /nfs/dbraw/zinc/94/73/55/554947355.db2.gz VXAHHCWWOONHHO-SFHVURJKSA-N 1 2 359.426 2.197 20 5 FEBDLO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCOC[C@H]1C1CC1 ZINC000362066557 554947357 /nfs/dbraw/zinc/94/73/57/554947357.db2.gz VXAHHCWWOONHHO-SFHVURJKSA-N 1 2 359.426 2.197 20 5 FEBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3nc(-c4ccccn4)no3)CC2)c1 ZINC000363214465 555055482 /nfs/dbraw/zinc/05/54/82/555055482.db2.gz IRAXZODRHLKGRL-UHFFFAOYSA-N 1 2 366.381 2.362 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC000363646857 555154063 /nfs/dbraw/zinc/15/40/63/555154063.db2.gz ZVNAKOYZEUVCEE-UHFFFAOYSA-N 1 2 374.441 2.222 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1C ZINC000363962633 555222890 /nfs/dbraw/zinc/22/28/90/555222890.db2.gz CBCNPNNQZFRDCN-LBPRGKRZSA-N 1 2 350.400 2.461 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512824201 561916981 /nfs/dbraw/zinc/91/69/81/561916981.db2.gz PEQCHKKAQJQQSE-MNOVXSKESA-N 1 2 373.356 2.492 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](COC(F)F)C1 ZINC000512824201 561916982 /nfs/dbraw/zinc/91/69/82/561916982.db2.gz PEQCHKKAQJQQSE-MNOVXSKESA-N 1 2 373.356 2.492 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000365266659 555526887 /nfs/dbraw/zinc/52/68/87/555526887.db2.gz JHBXIULPDIOSIT-UHFFFAOYSA-N 1 2 353.338 2.114 20 5 FEBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccccc1F ZINC000365338353 555547564 /nfs/dbraw/zinc/54/75/64/555547564.db2.gz TYOCEUBGHWBEJH-CQSZACIVSA-N 1 2 371.328 2.087 20 5 FEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000513369546 561935558 /nfs/dbraw/zinc/93/55/58/561935558.db2.gz DBBRJQXRDRXIBH-LBPRGKRZSA-N 1 2 371.340 2.249 20 5 FEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCOC[C@@H]1CC(F)F ZINC000513369546 561935559 /nfs/dbraw/zinc/93/55/59/561935559.db2.gz DBBRJQXRDRXIBH-LBPRGKRZSA-N 1 2 371.340 2.249 20 5 FEBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000366286004 555801816 /nfs/dbraw/zinc/80/18/16/555801816.db2.gz RCTALQGDXDCNDQ-ZBFHGGJFSA-N 1 2 351.359 2.273 20 5 FEBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000366286004 555801818 /nfs/dbraw/zinc/80/18/18/555801818.db2.gz RCTALQGDXDCNDQ-ZBFHGGJFSA-N 1 2 351.359 2.273 20 5 FEBDLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000366477507 555855152 /nfs/dbraw/zinc/85/51/52/555855152.db2.gz NUSRYVQOUOPZEL-ACJLOTCBSA-N 1 2 366.414 2.382 20 5 FEBDLO COc1cc(C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000366477507 555855155 /nfs/dbraw/zinc/85/51/55/555855155.db2.gz NUSRYVQOUOPZEL-ACJLOTCBSA-N 1 2 366.414 2.382 20 5 FEBDLO C[N@@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H](c2ccccc2)C1 ZINC000514708922 561975227 /nfs/dbraw/zinc/97/52/27/561975227.db2.gz ZFTXYDQWFWILFG-MRXNPFEDSA-N 1 2 369.377 2.452 20 5 FEBDLO C[N@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H](c2ccccc2)C1 ZINC000514708922 561975229 /nfs/dbraw/zinc/97/52/29/561975229.db2.gz ZFTXYDQWFWILFG-MRXNPFEDSA-N 1 2 369.377 2.452 20 5 FEBDLO CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000514730891 561976606 /nfs/dbraw/zinc/97/66/06/561976606.db2.gz NFNLYCICYIUGKJ-UHFFFAOYSA-N 1 2 371.397 2.116 20 5 FEBDLO COc1cc(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000367529572 556075128 /nfs/dbraw/zinc/07/51/28/556075128.db2.gz QYQJZUMUJQSMIV-CWRNSKLLSA-N 1 2 366.414 2.380 20 5 FEBDLO COc1cc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000367529572 556075129 /nfs/dbraw/zinc/07/51/29/556075129.db2.gz QYQJZUMUJQSMIV-CWRNSKLLSA-N 1 2 366.414 2.380 20 5 FEBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)o1 ZINC000367687922 556114864 /nfs/dbraw/zinc/11/48/64/556114864.db2.gz RAMMYAGFPYLZID-YVEFUNNKSA-N 1 2 362.407 2.474 20 5 FEBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)o1 ZINC000367687922 556114867 /nfs/dbraw/zinc/11/48/67/556114867.db2.gz RAMMYAGFPYLZID-YVEFUNNKSA-N 1 2 362.407 2.474 20 5 FEBDLO CCOc1cccc(NC[C@]2([NH+]3CCOCC3)CCCOC2)c1[N+](=O)[O-] ZINC000368097318 556218808 /nfs/dbraw/zinc/21/88/08/556218808.db2.gz IVRAHPPKNWEYEF-GOSISDBHSA-N 1 2 365.430 2.287 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccnn3-c3ccccc3)CC2)cn1 ZINC000515124249 561997156 /nfs/dbraw/zinc/99/71/56/561997156.db2.gz LWAJZKIXJRVJBA-UHFFFAOYSA-N 1 2 364.409 2.498 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](NC(=O)C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000369066789 556494677 /nfs/dbraw/zinc/49/46/77/556494677.db2.gz SEIVIRDCNAMXGI-HIFRSBDPSA-N 1 2 374.441 2.221 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](NC(=O)C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000369066789 556494680 /nfs/dbraw/zinc/49/46/80/556494680.db2.gz SEIVIRDCNAMXGI-HIFRSBDPSA-N 1 2 374.441 2.221 20 5 FEBDLO COc1ccc(CNC(=O)NCc2ccc[nH+]c2N(C)C)cc1[N+](=O)[O-] ZINC000515831108 562022944 /nfs/dbraw/zinc/02/29/44/562022944.db2.gz BODRRZYOCAQYOL-UHFFFAOYSA-N 1 2 359.386 2.064 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000369369844 556581937 /nfs/dbraw/zinc/58/19/37/556581937.db2.gz MAJREZQUIWXYBG-NSHDSACASA-N 1 2 359.342 2.256 20 5 FEBDLO O=C1NCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1Cc1nc2ccccc2o1 ZINC000370421312 556868081 /nfs/dbraw/zinc/86/80/81/556868081.db2.gz NRBYKFVTPNTWDP-MRXNPFEDSA-N 1 2 366.377 2.279 20 5 FEBDLO O=C1NCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1Cc1nc2ccccc2o1 ZINC000370421312 556868083 /nfs/dbraw/zinc/86/80/83/556868083.db2.gz NRBYKFVTPNTWDP-MRXNPFEDSA-N 1 2 366.377 2.279 20 5 FEBDLO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000370469575 556882350 /nfs/dbraw/zinc/88/23/50/556882350.db2.gz OVFVCDAQOXSHCC-UHFFFAOYSA-N 1 2 363.414 2.065 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ncc[nH]1 ZINC000371443754 557189168 /nfs/dbraw/zinc/18/91/68/557189168.db2.gz SUICAQWJBSGVDQ-CQSZACIVSA-N 1 2 352.354 2.481 20 5 FEBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371963195 557341502 /nfs/dbraw/zinc/34/15/02/557341502.db2.gz ZQOSVLQQCGTISC-NSHDSACASA-N 1 2 354.363 2.291 20 5 FEBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000518959235 562121824 /nfs/dbraw/zinc/12/18/24/562121824.db2.gz IUMVKANUULKUDO-HNNXBMFYSA-N 1 2 351.378 2.061 20 5 FEBDLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000372297918 557433016 /nfs/dbraw/zinc/43/30/16/557433016.db2.gz LJGFYXWWNMCAIR-MRXNPFEDSA-N 1 2 356.338 2.420 20 5 FEBDLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000372297918 557433018 /nfs/dbraw/zinc/43/30/18/557433018.db2.gz LJGFYXWWNMCAIR-MRXNPFEDSA-N 1 2 356.338 2.420 20 5 FEBDLO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3CCCN(c4cccc[nH+]4)C3)n2)n1C ZINC000373220680 557652622 /nfs/dbraw/zinc/65/26/22/557652622.db2.gz OVIJXBAENBPLNO-LBPRGKRZSA-N 1 2 369.385 2.466 20 5 FEBDLO O=C(N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1([NH+]2CCOCC2)CCC1 ZINC000373305784 557669456 /nfs/dbraw/zinc/66/94/56/557669456.db2.gz VLZWFTAIGVJUDV-UHFFFAOYSA-N 1 2 359.426 2.341 20 5 FEBDLO COc1cc(C[N@@H+]2CCCN(c3ncccn3)CC2)c([N+](=O)[O-])cc1F ZINC000373338052 557675143 /nfs/dbraw/zinc/67/51/43/557675143.db2.gz CBUWOIXPPKTSRN-UHFFFAOYSA-N 1 2 361.377 2.245 20 5 FEBDLO COc1cc(C[N@H+]2CCCN(c3ncccn3)CC2)c([N+](=O)[O-])cc1F ZINC000373338052 557675146 /nfs/dbraw/zinc/67/51/46/557675146.db2.gz CBUWOIXPPKTSRN-UHFFFAOYSA-N 1 2 361.377 2.245 20 5 FEBDLO CCOc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373580300 557722295 /nfs/dbraw/zinc/72/22/95/557722295.db2.gz CATXWPQJBGNOHC-AWEZNQCLSA-N 1 2 373.413 2.466 20 5 FEBDLO CCOc1ccccc1NC(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373580300 557722296 /nfs/dbraw/zinc/72/22/96/557722296.db2.gz CATXWPQJBGNOHC-AWEZNQCLSA-N 1 2 373.413 2.466 20 5 FEBDLO C[C@@H](C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000374347058 557869453 /nfs/dbraw/zinc/86/94/53/557869453.db2.gz BXIGJNZZUGGXRW-SJKOYZFVSA-N 1 2 358.373 2.406 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374433330 557883500 /nfs/dbraw/zinc/88/35/00/557883500.db2.gz AOYHVMYBUBVWOZ-CABCVRRESA-N 1 2 356.382 2.279 20 5 FEBDLO COc1cc(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)c([N+](=O)[O-])cc1OC ZINC000374437133 557883911 /nfs/dbraw/zinc/88/39/11/557883911.db2.gz MHQZLLXIQYLLOH-LBPRGKRZSA-N 1 2 374.397 2.424 20 5 FEBDLO O=C(N1CC[NH+]([C@@H]2CCSC2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000375831254 558086484 /nfs/dbraw/zinc/08/64/84/558086484.db2.gz SCXHTTBHWGUULO-CQSZACIVSA-N 1 2 371.409 2.336 20 5 FEBDLO CCN1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000376461295 558176295 /nfs/dbraw/zinc/17/62/95/558176295.db2.gz LBHIGDSZKMIYHI-MRXNPFEDSA-N 1 2 373.413 2.296 20 5 FEBDLO Cc1nc(N2CCC3(CC2)NC(=O)C2(CCCCC2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000378140768 558489551 /nfs/dbraw/zinc/48/95/51/558489551.db2.gz VBRQRFHYMXKRFI-UHFFFAOYSA-N 1 2 359.430 2.017 20 5 FEBDLO O=C([C@H]1CCCO1)N1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000378171080 558495740 /nfs/dbraw/zinc/49/57/40/558495740.db2.gz VAOKORQHAVZKKY-MRXNPFEDSA-N 1 2 367.833 2.462 20 5 FEBDLO O=C([C@H]1CCCO1)N1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000378171080 558495742 /nfs/dbraw/zinc/49/57/42/558495742.db2.gz VAOKORQHAVZKKY-MRXNPFEDSA-N 1 2 367.833 2.462 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000378648773 558600351 /nfs/dbraw/zinc/60/03/51/558600351.db2.gz JEBSDKYRPCALDX-ZDUSSCGKSA-N 1 2 350.396 2.451 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000378648773 558600352 /nfs/dbraw/zinc/60/03/52/558600352.db2.gz JEBSDKYRPCALDX-ZDUSSCGKSA-N 1 2 350.396 2.451 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000408182380 558654161 /nfs/dbraw/zinc/65/41/61/558654161.db2.gz JRRQYOFYMOXLMD-DZGCQCFKSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000408182380 558654163 /nfs/dbraw/zinc/65/41/63/558654163.db2.gz JRRQYOFYMOXLMD-DZGCQCFKSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000408182381 558654311 /nfs/dbraw/zinc/65/43/11/558654311.db2.gz JRRQYOFYMOXLMD-HIFRSBDPSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000408182381 558654314 /nfs/dbraw/zinc/65/43/14/558654314.db2.gz JRRQYOFYMOXLMD-HIFRSBDPSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000408182412 558654321 /nfs/dbraw/zinc/65/43/21/558654321.db2.gz KBSYJJWUMNYPQS-JSGCOSHPSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000408182412 558654324 /nfs/dbraw/zinc/65/43/24/558654324.db2.gz KBSYJJWUMNYPQS-JSGCOSHPSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000408340688 558668879 /nfs/dbraw/zinc/66/88/79/558668879.db2.gz PCOPYNVRTUZWAU-GJZGRUSLSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000408340688 558668880 /nfs/dbraw/zinc/66/88/80/558668880.db2.gz PCOPYNVRTUZWAU-GJZGRUSLSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000411254619 558861709 /nfs/dbraw/zinc/86/17/09/558861709.db2.gz NZLCMNLAGYNBBK-UHFFFAOYSA-N 1 2 373.413 2.319 20 5 FEBDLO Cn1cccc1[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411548969 558915024 /nfs/dbraw/zinc/91/50/24/558915024.db2.gz GIMHAJVUVGQQBQ-KRWDZBQOSA-N 1 2 358.398 2.335 20 5 FEBDLO Cn1cccc1[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411548969 558915025 /nfs/dbraw/zinc/91/50/25/558915025.db2.gz GIMHAJVUVGQQBQ-KRWDZBQOSA-N 1 2 358.398 2.335 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000411579194 558921547 /nfs/dbraw/zinc/92/15/47/558921547.db2.gz CZKJBGQWHCQYQE-YPMHNXCESA-N 1 2 357.370 2.169 20 5 FEBDLO CC(C)OC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000411784321 558962462 /nfs/dbraw/zinc/96/24/62/558962462.db2.gz HMYZAVVLTXFKAN-INIZCTEOSA-N 1 2 351.403 2.489 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413069081 559074603 /nfs/dbraw/zinc/07/46/03/559074603.db2.gz LOBPWYYMTNVQFC-STQMWFEESA-N 1 2 373.413 2.213 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413069081 559074604 /nfs/dbraw/zinc/07/46/04/559074604.db2.gz LOBPWYYMTNVQFC-STQMWFEESA-N 1 2 373.413 2.213 20 5 FEBDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413308888 559097305 /nfs/dbraw/zinc/09/73/05/559097305.db2.gz KSRLLZWWLCHQCV-CYBMUJFWSA-N 1 2 358.398 2.440 20 5 FEBDLO COC(=O)C[N@H+]1CCC[C@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413308888 559097306 /nfs/dbraw/zinc/09/73/06/559097306.db2.gz KSRLLZWWLCHQCV-CYBMUJFWSA-N 1 2 358.398 2.440 20 5 FEBDLO CN1CC[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000414119315 559149816 /nfs/dbraw/zinc/14/98/16/559149816.db2.gz CVNFFCZZXXAUNL-GOSISDBHSA-N 1 2 371.437 2.249 20 5 FEBDLO CSc1cccc(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000416030946 559289945 /nfs/dbraw/zinc/28/99/45/559289945.db2.gz SXDZGGIXVZNZMM-UHFFFAOYSA-N 1 2 367.471 2.500 20 5 FEBDLO C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)C[N@@H+]1CCO ZINC000416302689 559304093 /nfs/dbraw/zinc/30/40/93/559304093.db2.gz WWFIKXVHUZLCTB-NEPJUHHUSA-N 1 2 363.439 2.337 20 5 FEBDLO C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)C[N@H+]1CCO ZINC000416302689 559304094 /nfs/dbraw/zinc/30/40/94/559304094.db2.gz WWFIKXVHUZLCTB-NEPJUHHUSA-N 1 2 363.439 2.337 20 5 FEBDLO CC(C)(NC(=O)NC[C@@H]1CC[NH2+]CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000418766009 559414909 /nfs/dbraw/zinc/41/49/09/559414909.db2.gz OXVKXPNILSAAED-LBPRGKRZSA-N 1 2 356.373 2.374 20 5 FEBDLO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000420598061 559493508 /nfs/dbraw/zinc/49/35/08/559493508.db2.gz JEYHMRGRWVTYTO-UHFFFAOYSA-N 1 2 358.373 2.155 20 5 FEBDLO O=C(NC[C@@H]1CC[NH2+]CC1(F)F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423698581 559636338 /nfs/dbraw/zinc/63/63/38/559636338.db2.gz NRKKHVNFRWHYJK-JTQLQIEISA-N 1 2 350.325 2.118 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)n1 ZINC000427383272 559754408 /nfs/dbraw/zinc/75/44/08/559754408.db2.gz IROLNFQLMBAUPB-UHFFFAOYSA-N 1 2 368.397 2.328 20 5 FEBDLO CN(Cc1[nH]cc[nH+]1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000428123057 559770129 /nfs/dbraw/zinc/77/01/29/559770129.db2.gz VUCLCEOBCQKVLU-UHFFFAOYSA-N 1 2 360.761 2.154 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000429016166 559788429 /nfs/dbraw/zinc/78/84/29/559788429.db2.gz AUHSQVRTJQQJNO-LLVKDONJSA-N 1 2 373.182 2.053 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(C(=O)N(C)C)CC1(C)C ZINC000430217075 559815608 /nfs/dbraw/zinc/81/56/08/559815608.db2.gz GKIKCNORBWYIOA-UHFFFAOYSA-N 1 2 350.419 2.181 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(C(=O)N(C)C)CC1(C)C ZINC000430217075 559815609 /nfs/dbraw/zinc/81/56/09/559815609.db2.gz GKIKCNORBWYIOA-UHFFFAOYSA-N 1 2 350.419 2.181 20 5 FEBDLO CCN1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1c1[nH]cc[nH+]1 ZINC000431992072 559850040 /nfs/dbraw/zinc/85/00/40/559850040.db2.gz MIGFFGPZPMVVSO-AWEZNQCLSA-N 1 2 374.401 2.237 20 5 FEBDLO CCN1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433111028 559872118 /nfs/dbraw/zinc/87/21/18/559872118.db2.gz RDHWKROHCXLNAY-MRXNPFEDSA-N 1 2 357.414 2.156 20 5 FEBDLO C[N@H+](CC(=O)NCc1ccccc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000435066912 559915447 /nfs/dbraw/zinc/91/54/47/559915447.db2.gz ORWMEUQXBMHMAT-UHFFFAOYSA-N 1 2 354.366 2.484 20 5 FEBDLO C[N@@H+](CC(=O)NCc1ccccc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000435066912 559915448 /nfs/dbraw/zinc/91/54/48/559915448.db2.gz ORWMEUQXBMHMAT-UHFFFAOYSA-N 1 2 354.366 2.484 20 5 FEBDLO Cc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)n(C2CC[NH+](C)CC2)n1 ZINC000436958456 559957530 /nfs/dbraw/zinc/95/75/30/559957530.db2.gz BBNRIBCTCDQXGG-UHFFFAOYSA-N 1 2 359.386 2.324 20 5 FEBDLO Cc1cc(N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC000440643697 560015344 /nfs/dbraw/zinc/01/53/44/560015344.db2.gz GLQJVIQWPZXIIO-QGZVFWFLSA-N 1 2 350.419 2.198 20 5 FEBDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000442811444 560057983 /nfs/dbraw/zinc/05/79/83/560057983.db2.gz CHCWYPUDVBJGBQ-INIZCTEOSA-N 1 2 369.443 2.192 20 5 FEBDLO Cn1c(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])nnc1C1CC1 ZINC000447817285 560169836 /nfs/dbraw/zinc/16/98/36/560169836.db2.gz PLZDJVXGOXBIJY-UHFFFAOYSA-N 1 2 372.429 2.045 20 5 FEBDLO CCOC(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448560784 560190134 /nfs/dbraw/zinc/19/01/34/560190134.db2.gz JUAODPOLUWBAGY-AWEZNQCLSA-N 1 2 372.381 2.196 20 5 FEBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449653804 560235739 /nfs/dbraw/zinc/23/57/39/560235739.db2.gz TXQODSKJKLRTSG-LBPRGKRZSA-N 1 2 356.373 2.148 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000449744330 560238705 /nfs/dbraw/zinc/23/87/05/560238705.db2.gz GIANBRABDLECOQ-CQSZACIVSA-N 1 2 350.419 2.229 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000449744330 560238706 /nfs/dbraw/zinc/23/87/06/560238706.db2.gz GIANBRABDLECOQ-CQSZACIVSA-N 1 2 350.419 2.229 20 5 FEBDLO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000449956782 560246368 /nfs/dbraw/zinc/24/63/68/560246368.db2.gz AXKDMDSGLSLUTB-KRWDZBQOSA-N 1 2 357.414 2.397 20 5 FEBDLO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000449956782 560246369 /nfs/dbraw/zinc/24/63/69/560246369.db2.gz AXKDMDSGLSLUTB-KRWDZBQOSA-N 1 2 357.414 2.397 20 5 FEBDLO CCC1(CO)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450310555 560257966 /nfs/dbraw/zinc/25/79/66/560257966.db2.gz ATNUJGBFSPYLHW-UHFFFAOYSA-N 1 2 358.398 2.405 20 5 FEBDLO CCOC(=O)C[N@@H+]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450349547 560259403 /nfs/dbraw/zinc/25/94/03/560259403.db2.gz OZKGOOAHCNGZRU-UHFFFAOYSA-N 1 2 358.398 2.218 20 5 FEBDLO CCOC(=O)C[N@H+]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450349547 560259404 /nfs/dbraw/zinc/25/94/04/560259404.db2.gz OZKGOOAHCNGZRU-UHFFFAOYSA-N 1 2 358.398 2.218 20 5 FEBDLO CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ncon1 ZINC000451439250 560307115 /nfs/dbraw/zinc/30/71/15/560307115.db2.gz VVWIVMMFXUOOCD-CQSZACIVSA-N 1 2 356.342 2.291 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451884227 560334568 /nfs/dbraw/zinc/33/45/68/560334568.db2.gz FHGVPSCLSFZFBR-QMTHXVAHSA-N 1 2 361.320 2.087 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451884227 560334569 /nfs/dbraw/zinc/33/45/69/560334569.db2.gz FHGVPSCLSFZFBR-QMTHXVAHSA-N 1 2 361.320 2.087 20 5 FEBDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000451945242 560339824 /nfs/dbraw/zinc/33/98/24/560339824.db2.gz IEOMCFGKSOICAU-PSASIEDQSA-N 1 2 356.791 2.429 20 5 FEBDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000452021918 560345993 /nfs/dbraw/zinc/34/59/93/560345993.db2.gz TZYSZRVVBTYASX-CQSZACIVSA-N 1 2 373.413 2.485 20 5 FEBDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000452021918 560345994 /nfs/dbraw/zinc/34/59/94/560345994.db2.gz TZYSZRVVBTYASX-CQSZACIVSA-N 1 2 373.413 2.485 20 5 FEBDLO COc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c(OC)c1 ZINC000453580329 560389422 /nfs/dbraw/zinc/38/94/22/560389422.db2.gz TWMOFHLZKBPQSQ-UHFFFAOYSA-N 1 2 358.398 2.329 20 5 FEBDLO CN(C)[C@@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)c1c[nH+]cn1C ZINC000456155333 560508969 /nfs/dbraw/zinc/50/89/69/560508969.db2.gz XQRVHMAKCCMBDD-MAUKXSAKSA-N 1 2 371.441 2.337 20 5 FEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456207238 560511243 /nfs/dbraw/zinc/51/12/43/560511243.db2.gz SQRNDZSDTCXJHM-RYQLBKOJSA-N 1 2 361.442 2.143 20 5 FEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456207238 560511244 /nfs/dbraw/zinc/51/12/44/560511244.db2.gz SQRNDZSDTCXJHM-RYQLBKOJSA-N 1 2 361.442 2.143 20 5 FEBDLO CC(C)(C)c1ccc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000456214200 560511835 /nfs/dbraw/zinc/51/18/35/560511835.db2.gz JFWRXKBGPOZBQW-GASCZTMLSA-N 1 2 361.442 2.485 20 5 FEBDLO CC(C)(C)c1ccc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000456214200 560511836 /nfs/dbraw/zinc/51/18/36/560511836.db2.gz JFWRXKBGPOZBQW-GASCZTMLSA-N 1 2 361.442 2.485 20 5 FEBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000457715342 560583406 /nfs/dbraw/zinc/58/34/06/560583406.db2.gz FBUXUYDEPSBNEA-UHFFFAOYSA-N 1 2 356.220 2.488 20 5 FEBDLO Cc1c(Br)cc(C(=O)NCCc2cn(C)c[nH+]2)cc1[N+](=O)[O-] ZINC000457852028 560590666 /nfs/dbraw/zinc/59/06/66/560590666.db2.gz IEXMPNPBBCMSID-UHFFFAOYSA-N 1 2 367.203 2.372 20 5 FEBDLO COc1cc(N2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)ncn1 ZINC000462076095 560795302 /nfs/dbraw/zinc/79/53/02/560795302.db2.gz SCYQIMXAVUUQRZ-XQRVVYSFSA-N 1 2 355.398 2.229 20 5 FEBDLO COc1ccc(OCC[N@@H+]2CC(=O)N(C(C)C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000464726592 560849205 /nfs/dbraw/zinc/84/92/05/560849205.db2.gz APSZQKKAGXBTQK-UHFFFAOYSA-N 1 2 365.430 2.313 20 5 FEBDLO COc1ccc(OCC[N@H+]2CC(=O)N(C(C)C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000464726592 560849206 /nfs/dbraw/zinc/84/92/06/560849206.db2.gz APSZQKKAGXBTQK-UHFFFAOYSA-N 1 2 365.430 2.313 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1c2ccccc2C[C@@H]1O ZINC000472352899 561025014 /nfs/dbraw/zinc/02/50/14/561025014.db2.gz FTMGLNFRQQSYSJ-PMACEKPBSA-N 1 2 369.421 2.497 20 5 FEBDLO COc1ccc(CC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000531834924 562458436 /nfs/dbraw/zinc/45/84/36/562458436.db2.gz WWCGUUBFUZPDQD-CZUORRHYSA-N 1 2 358.398 2.452 20 5 FEBDLO CC(C)OC1CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000541348284 562609944 /nfs/dbraw/zinc/60/99/44/562609944.db2.gz DBGUQTFCSJVPGB-UHFFFAOYSA-N 1 2 356.444 2.258 20 5 FEBDLO CCc1cnc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000541763581 562619303 /nfs/dbraw/zinc/61/93/03/562619303.db2.gz OGLJTHAHPAIUFW-UHFFFAOYSA-N 1 2 355.441 2.177 20 5 FEBDLO COC(=O)C[C@@](C)([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cccc(F)c1 ZINC000602830794 568047659 /nfs/dbraw/zinc/04/76/59/568047659.db2.gz XBUQGTPXCDNOJA-MRXNPFEDSA-N 1 2 350.350 2.036 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(CC(=O)NCCCCn2cc[nH+]c2)c1F ZINC000563228094 674862217 /nfs/dbraw/zinc/86/22/17/674862217.db2.gz PWPAHHWJKLKSRB-UHFFFAOYSA-N 1 2 350.350 2.078 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1C ZINC000609134676 675911474 /nfs/dbraw/zinc/91/14/74/675911474.db2.gz GKHFRHKMHITOKI-AWEZNQCLSA-N 1 2 364.427 2.434 20 5 FEBDLO Cc1cc(F)cc(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000176717792 672376417 /nfs/dbraw/zinc/37/64/17/672376417.db2.gz FNPZZSBDPALNON-OAHLLOKOSA-N 1 2 353.394 2.129 20 5 FEBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000587050793 672440461 /nfs/dbraw/zinc/44/04/61/672440461.db2.gz DOIJEOFCUVCRMV-SECBINFHSA-N 1 2 352.297 2.138 20 5 FEBDLO COc1cc(CN2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000590602300 672595533 /nfs/dbraw/zinc/59/55/33/672595533.db2.gz VJVQRRYUGGFPQE-UHFFFAOYSA-N 1 2 354.313 2.486 20 5 FEBDLO O=[N+]([O-])c1c(N2CCC[N@H+](Cc3cscn3)CC2)nc2ccccn21 ZINC000727433293 673169275 /nfs/dbraw/zinc/16/92/75/673169275.db2.gz NYHFPMLXFKSNNN-UHFFFAOYSA-N 1 2 358.427 2.411 20 5 FEBDLO O=[N+]([O-])c1c(N2CCC[N@@H+](Cc3cscn3)CC2)nc2ccccn21 ZINC000727433293 673169280 /nfs/dbraw/zinc/16/92/80/673169280.db2.gz NYHFPMLXFKSNNN-UHFFFAOYSA-N 1 2 358.427 2.411 20 5 FEBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000595393524 673241188 /nfs/dbraw/zinc/24/11/88/673241188.db2.gz RBWORVUOFKDORA-INIZCTEOSA-N 1 2 361.423 2.148 20 5 FEBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000595393524 673241189 /nfs/dbraw/zinc/24/11/89/673241189.db2.gz RBWORVUOFKDORA-INIZCTEOSA-N 1 2 361.423 2.148 20 5 FEBDLO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC000595921315 673340152 /nfs/dbraw/zinc/34/01/52/673340152.db2.gz XGQISLCOIUKQAS-PVXIVEMSSA-N 1 2 360.357 2.079 20 5 FEBDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC000595921315 673340157 /nfs/dbraw/zinc/34/01/57/673340157.db2.gz XGQISLCOIUKQAS-PVXIVEMSSA-N 1 2 360.357 2.079 20 5 FEBDLO O=[N+]([O-])c1cccc(Br)c1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000596111940 673359606 /nfs/dbraw/zinc/35/96/06/673359606.db2.gz FBOKKPAHOHSLEQ-GXTWGEPZSA-N 1 2 370.247 2.393 20 5 FEBDLO COc1ccc(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000598643328 673593236 /nfs/dbraw/zinc/59/32/36/673593236.db2.gz AIPLLTGAEKWWLA-OAHLLOKOSA-N 1 2 362.407 2.363 20 5 FEBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598948088 673624419 /nfs/dbraw/zinc/62/44/19/673624419.db2.gz OTOFMSBWTQMYPS-ZYHUDNBSSA-N 1 2 364.789 2.343 20 5 FEBDLO COC1CC[NH+](Cc2cn(-c3ccc(Cl)cc3[N+](=O)[O-])nn2)CC1 ZINC000600971478 673815220 /nfs/dbraw/zinc/81/52/20/673815220.db2.gz ZUTSMXRXDJHEFU-UHFFFAOYSA-N 1 2 351.794 2.440 20 5 FEBDLO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602642766 673909007 /nfs/dbraw/zinc/90/90/07/673909007.db2.gz MYHUUAYRGBNIGX-GFCCVEGCSA-N 1 2 362.249 2.377 20 5 FEBDLO CNC(=O)[C@]1(C)CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602642766 673909013 /nfs/dbraw/zinc/90/90/13/673909013.db2.gz MYHUUAYRGBNIGX-GFCCVEGCSA-N 1 2 362.249 2.377 20 5 FEBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC000602837935 673911944 /nfs/dbraw/zinc/91/19/44/673911944.db2.gz DMUUSTLNXMAIMG-CHWSQXEVSA-N 1 2 351.451 2.067 20 5 FEBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000548417062 673956865 /nfs/dbraw/zinc/95/68/65/673956865.db2.gz OKFICZFYOBXRJT-AWEZNQCLSA-N 1 2 352.366 2.062 20 5 FEBDLO C[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC000840154062 680802801 /nfs/dbraw/zinc/80/28/01/680802801.db2.gz BMEWXEHJRCFYOH-OLZOCXBDSA-N 1 2 353.423 2.232 20 5 FEBDLO C[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC000840154062 680802803 /nfs/dbraw/zinc/80/28/03/680802803.db2.gz BMEWXEHJRCFYOH-OLZOCXBDSA-N 1 2 353.423 2.232 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCO)CC2)c(Br)c1 ZINC000750178694 680105796 /nfs/dbraw/zinc/10/57/96/680105796.db2.gz GONFVMJFJBEEPF-UHFFFAOYSA-N 1 2 358.236 2.252 20 5 FEBDLO O=C(NCC1C[NH+](Cc2c(Cl)oc3ccccc32)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031662885 680405396 /nfs/dbraw/zinc/40/53/96/680405396.db2.gz OFBUIUPEMOQTNE-TZMCWYRMSA-N 1 2 363.801 2.299 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](C/C(Cl)=C\Cl)C2)CC1 ZINC001035187474 680443508 /nfs/dbraw/zinc/44/35/08/680443508.db2.gz UFOWFCTWWLXSKZ-NALFIARHSA-N 1 2 362.257 2.285 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@@H+](C/C(Cl)=C\Cl)C2)CC1 ZINC001035187474 680443510 /nfs/dbraw/zinc/44/35/10/680443510.db2.gz UFOWFCTWWLXSKZ-NALFIARHSA-N 1 2 362.257 2.285 20 5 FEBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC001005379757 680573346 /nfs/dbraw/zinc/57/33/46/680573346.db2.gz VKCZNXVSUVKVCD-GDBMZVCRSA-N 1 2 353.369 2.053 20 5 FEBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccsc1 ZINC000768804808 680958973 /nfs/dbraw/zinc/95/89/73/680958973.db2.gz BLDNAJOEEYWAGU-NSHDSACASA-N 1 2 361.470 2.299 20 5 FEBDLO CC(C)c1ccc(CN2CC[NH+](CC[S@@](C)=O)CC2)cc1[N+](=O)[O-] ZINC000769478683 680984344 /nfs/dbraw/zinc/98/43/44/680984344.db2.gz FHCHZPXUSLDNFR-XMMPIXPASA-N 1 2 353.488 2.214 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000770717853 681025577 /nfs/dbraw/zinc/02/55/77/681025577.db2.gz ZXHRRRHRPQFZOW-WDEREUQCSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000770717853 681025578 /nfs/dbraw/zinc/02/55/78/681025578.db2.gz ZXHRRRHRPQFZOW-WDEREUQCSA-N 1 2 361.851 2.270 20 5 FEBDLO CC(=O)NC[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774627660 681212170 /nfs/dbraw/zinc/21/21/70/681212170.db2.gz PVEXAXHQIZKPCT-GFCCVEGCSA-N 1 2 365.821 2.404 20 5 FEBDLO CC(=O)NC[C@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774627660 681212175 /nfs/dbraw/zinc/21/21/75/681212175.db2.gz PVEXAXHQIZKPCT-GFCCVEGCSA-N 1 2 365.821 2.404 20 5 FEBDLO Cc1cc(F)cc(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000847182289 681341252 /nfs/dbraw/zinc/34/12/52/681341252.db2.gz PSLJRUGAAQTQOD-RWMBFGLXSA-N 1 2 353.394 2.270 20 5 FEBDLO Cc1cc(F)cc(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000847182289 681341255 /nfs/dbraw/zinc/34/12/55/681341255.db2.gz PSLJRUGAAQTQOD-RWMBFGLXSA-N 1 2 353.394 2.270 20 5 FEBDLO O=C1NCCN1CC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000933578853 681436567 /nfs/dbraw/zinc/43/65/67/681436567.db2.gz BWZBLRRVLQGAEF-UHFFFAOYSA-N 1 2 354.357 2.110 20 5 FEBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000914239580 685500434 /nfs/dbraw/zinc/50/04/34/685500434.db2.gz IKWHYKGNHXLORS-ZFWWWQNUSA-N 1 2 350.419 2.066 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cc1Cl ZINC000855408234 682666794 /nfs/dbraw/zinc/66/67/94/682666794.db2.gz RGYUVMVBEHUWEN-NEPJUHHUSA-N 1 2 355.822 2.396 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cc1Cl ZINC000855408234 682666796 /nfs/dbraw/zinc/66/67/96/682666796.db2.gz RGYUVMVBEHUWEN-NEPJUHHUSA-N 1 2 355.822 2.396 20 5 FEBDLO CO[C@@H](C)C[N@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795745579 683088158 /nfs/dbraw/zinc/08/81/58/683088158.db2.gz CZWHHTSELZWEKF-VIFPVBQESA-N 1 2 372.219 2.237 20 5 FEBDLO CO[C@@H](C)C[N@@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795745579 683088164 /nfs/dbraw/zinc/08/81/64/683088164.db2.gz CZWHHTSELZWEKF-VIFPVBQESA-N 1 2 372.219 2.237 20 5 FEBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000921806628 683580093 /nfs/dbraw/zinc/58/00/93/683580093.db2.gz KNUHYQXRIBLEMB-UONOGXRCSA-N 1 2 350.419 2.066 20 5 FEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864883547 683904684 /nfs/dbraw/zinc/90/46/84/683904684.db2.gz BUVJLBCBMLIMAE-SNVBAGLBSA-N 1 2 367.203 2.301 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000931627294 684315260 /nfs/dbraw/zinc/31/52/60/684315260.db2.gz ZIMAHTFMYHDBDH-NSHDSACASA-N 1 2 356.810 2.399 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000931627294 684315264 /nfs/dbraw/zinc/31/52/64/684315264.db2.gz ZIMAHTFMYHDBDH-NSHDSACASA-N 1 2 356.810 2.399 20 5 FEBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000875116543 685734858 /nfs/dbraw/zinc/73/48/58/685734858.db2.gz HTDRUYWRASOUNL-HIFRSBDPSA-N 1 2 350.419 2.066 20 5 FEBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000875116543 685734865 /nfs/dbraw/zinc/73/48/65/685734865.db2.gz HTDRUYWRASOUNL-HIFRSBDPSA-N 1 2 350.419 2.066 20 5 FEBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000875625277 686051019 /nfs/dbraw/zinc/05/10/19/686051019.db2.gz GUONOWFJTOJUCP-ZFWWWQNUSA-N 1 2 350.419 2.066 20 5 FEBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000875625277 686051022 /nfs/dbraw/zinc/05/10/22/686051022.db2.gz GUONOWFJTOJUCP-ZFWWWQNUSA-N 1 2 350.419 2.066 20 5 FEBDLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000876658717 686238168 /nfs/dbraw/zinc/23/81/68/686238168.db2.gz DFUGRFJRUQENQV-ZDUSSCGKSA-N 1 2 353.423 2.160 20 5 FEBDLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000876658717 686238176 /nfs/dbraw/zinc/23/81/76/686238176.db2.gz DFUGRFJRUQENQV-ZDUSSCGKSA-N 1 2 353.423 2.160 20 5 FEBDLO NC(=O)[C@@H](F)C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000879042295 686722350 /nfs/dbraw/zinc/72/23/50/686722350.db2.gz YMDWNTNTHRBDCG-ZDUSSCGKSA-N 1 2 374.210 2.393 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3nccs3)C2)c([N+](=O)[O-])c1 ZINC000880317695 687033141 /nfs/dbraw/zinc/03/31/41/687033141.db2.gz QTZFGBZFDJBSOY-LLVKDONJSA-N 1 2 362.411 2.488 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3nccs3)C2)c([N+](=O)[O-])c1 ZINC000880317695 687033143 /nfs/dbraw/zinc/03/31/43/687033143.db2.gz QTZFGBZFDJBSOY-LLVKDONJSA-N 1 2 362.411 2.488 20 5 FEBDLO O=C(C[N@@H+]1CC[C@@]2(CO)CCC[C@@H]12)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000886628375 688284504 /nfs/dbraw/zinc/28/45/04/688284504.db2.gz OOZOTHAUOYCHPI-GDBMZVCRSA-N 1 2 353.806 2.424 20 5 FEBDLO O=C(C[N@H+]1CC[C@@]2(CO)CCC[C@@H]12)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000886628375 688284509 /nfs/dbraw/zinc/28/45/09/688284509.db2.gz OOZOTHAUOYCHPI-GDBMZVCRSA-N 1 2 353.806 2.424 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886801143 688314842 /nfs/dbraw/zinc/31/48/42/688314842.db2.gz IITSZSBMWGRWNT-QMTHXVAHSA-N 1 2 361.320 2.169 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886801143 688314847 /nfs/dbraw/zinc/31/48/47/688314847.db2.gz IITSZSBMWGRWNT-QMTHXVAHSA-N 1 2 361.320 2.169 20 5 FEBDLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000898484137 690190210 /nfs/dbraw/zinc/19/02/10/690190210.db2.gz QARMQVXNCCVDAF-AWEZNQCLSA-N 1 2 350.394 2.333 20 5 FEBDLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000898484137 690190214 /nfs/dbraw/zinc/19/02/14/690190214.db2.gz QARMQVXNCCVDAF-AWEZNQCLSA-N 1 2 350.394 2.333 20 5 FEBDLO Cc1[nH]c2ccc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)cc2[nH+]1 ZINC000011542111 539530333 /nfs/dbraw/zinc/53/03/33/539530333.db2.gz REUSLQVIBOJOQQ-UHFFFAOYSA-N 1 2 374.378 2.435 20 5 FEBDLO Cc1[nH]c2cc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000011542111 539530337 /nfs/dbraw/zinc/53/03/37/539530337.db2.gz REUSLQVIBOJOQQ-UHFFFAOYSA-N 1 2 374.378 2.435 20 5 FEBDLO C[C@H](Sc1[nH+]cnc2c1cnn2C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000011677017 539531601 /nfs/dbraw/zinc/53/16/01/539531601.db2.gz HCFQLEGCUMQVNW-VIFPVBQESA-N 1 2 358.383 2.391 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000021131044 539680661 /nfs/dbraw/zinc/68/06/61/539680661.db2.gz DRISIHCPTCPZLP-UHFFFAOYSA-N 1 2 370.409 2.370 20 5 FEBDLO CN(C(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000022057522 539691569 /nfs/dbraw/zinc/69/15/69/539691569.db2.gz VHEQZAMSHQURIE-UHFFFAOYSA-N 1 2 370.409 2.085 20 5 FEBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000025757393 539768508 /nfs/dbraw/zinc/76/85/08/539768508.db2.gz XSYJAEABZYTYSZ-AATRIKPKSA-N 1 2 368.393 2.156 20 5 FEBDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000026713502 539791024 /nfs/dbraw/zinc/79/10/24/539791024.db2.gz LCTTYPYDMRZBGF-UHFFFAOYSA-N 1 2 365.821 2.313 20 5 FEBDLO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348813 539784737 /nfs/dbraw/zinc/78/47/37/539784737.db2.gz PXARNFYBDIPGIQ-CQSZACIVSA-N 1 2 370.409 2.441 20 5 FEBDLO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348813 539784739 /nfs/dbraw/zinc/78/47/39/539784739.db2.gz PXARNFYBDIPGIQ-CQSZACIVSA-N 1 2 370.409 2.441 20 5 FEBDLO Cc1cccc(NC(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000026481059 539787061 /nfs/dbraw/zinc/78/70/61/539787061.db2.gz OTKTXSHWOLVQDB-UHFFFAOYSA-N 1 2 355.398 2.059 20 5 FEBDLO O=C(C[NH+]1CCN(c2ccccc2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027271636 539803776 /nfs/dbraw/zinc/80/37/76/539803776.db2.gz AMHNLMVPGJDNDT-UHFFFAOYSA-N 1 2 366.421 2.306 20 5 FEBDLO COc1cc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000027567388 539810018 /nfs/dbraw/zinc/81/00/18/539810018.db2.gz OVHXCJRKUWRUHP-NSHDSACASA-N 1 2 373.356 2.257 20 5 FEBDLO COc1cc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000027567388 539810021 /nfs/dbraw/zinc/81/00/21/539810021.db2.gz OVHXCJRKUWRUHP-NSHDSACASA-N 1 2 373.356 2.257 20 5 FEBDLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000047265184 540300473 /nfs/dbraw/zinc/30/04/73/540300473.db2.gz BGOIIKSESQDLDX-SNVBAGLBSA-N 1 2 355.441 2.497 20 5 FEBDLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000047265184 540300474 /nfs/dbraw/zinc/30/04/74/540300474.db2.gz BGOIIKSESQDLDX-SNVBAGLBSA-N 1 2 355.441 2.497 20 5 FEBDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000047743746 540326743 /nfs/dbraw/zinc/32/67/43/540326743.db2.gz BVPUVWREULUHAB-HZPDHXFCSA-N 1 2 360.458 2.221 20 5 FEBDLO Nc1c(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc(F)cc1[N+](=O)[O-] ZINC000048247742 540353441 /nfs/dbraw/zinc/35/34/41/540353441.db2.gz JZRWLPAJLRLDMO-UHFFFAOYSA-N 1 2 359.361 2.241 20 5 FEBDLO Cc1nn(C)c(NC[C@H](c2cccc(C)c2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000052044475 540452640 /nfs/dbraw/zinc/45/26/40/540452640.db2.gz AFHQCIDFSCHEBD-MRXNPFEDSA-N 1 2 359.430 2.431 20 5 FEBDLO Cc1nn(C)c(NC[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000052044477 540452672 /nfs/dbraw/zinc/45/26/72/540452672.db2.gz AFHQCIDFSCHEBD-INIZCTEOSA-N 1 2 359.430 2.431 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](Cc2ccco2)CC1 ZINC000053813747 540555764 /nfs/dbraw/zinc/55/57/64/540555764.db2.gz OPGCQYOYDKETPP-UHFFFAOYSA-N 1 2 358.398 2.253 20 5 FEBDLO Cc1noc(C2CC[NH+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000054678835 540602992 /nfs/dbraw/zinc/60/29/92/540602992.db2.gz YEMPMBPABIURES-LLVKDONJSA-N 1 2 359.386 2.493 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000057572911 540803196 /nfs/dbraw/zinc/80/31/96/540803196.db2.gz PGJSRDXCACVAQH-UHFFFAOYSA-N 1 2 371.422 2.262 20 5 FEBDLO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000059402816 540865084 /nfs/dbraw/zinc/86/50/84/540865084.db2.gz NUVMXGGPFNWOLG-INIZCTEOSA-N 1 2 359.382 2.347 20 5 FEBDLO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000059402816 540865088 /nfs/dbraw/zinc/86/50/88/540865088.db2.gz NUVMXGGPFNWOLG-INIZCTEOSA-N 1 2 359.382 2.347 20 5 FEBDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000065296163 541233898 /nfs/dbraw/zinc/23/38/98/541233898.db2.gz ALRXJEMSZINJPE-HNNXBMFYSA-N 1 2 373.413 2.478 20 5 FEBDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000065296163 541233902 /nfs/dbraw/zinc/23/39/02/541233902.db2.gz ALRXJEMSZINJPE-HNNXBMFYSA-N 1 2 373.413 2.478 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1cn2ccccc2[nH+]1 ZINC000065685365 541253495 /nfs/dbraw/zinc/25/34/95/541253495.db2.gz ZXYFVINDVGXUEI-UHFFFAOYSA-N 1 2 374.422 2.326 20 5 FEBDLO CCn1c(Cn2cc(C(=O)OC)cc([N+](=O)[O-])c2=O)[nH+]c2cc(F)ccc21 ZINC000066256544 541295025 /nfs/dbraw/zinc/29/50/25/541295025.db2.gz OBQQOXMOUWTTEG-UHFFFAOYSA-N 1 2 374.328 2.100 20 5 FEBDLO CCCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559165 541334761 /nfs/dbraw/zinc/33/47/61/541334761.db2.gz MVQWFGLJGXJNEI-CQSZACIVSA-N 1 2 356.444 2.393 20 5 FEBDLO CCCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559165 541334765 /nfs/dbraw/zinc/33/47/65/541334765.db2.gz MVQWFGLJGXJNEI-CQSZACIVSA-N 1 2 356.444 2.393 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000075179074 542157513 /nfs/dbraw/zinc/15/75/13/542157513.db2.gz AELHSNYPIHTVFM-ZDUSSCGKSA-N 1 2 353.806 2.185 20 5 FEBDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000801913514 674154737 /nfs/dbraw/zinc/15/47/37/674154737.db2.gz WETDVUQALNPHOM-UHFFFAOYSA-N 1 2 360.336 2.118 20 5 FEBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000801913514 674154739 /nfs/dbraw/zinc/15/47/39/674154739.db2.gz WETDVUQALNPHOM-UHFFFAOYSA-N 1 2 360.336 2.118 20 5 FEBDLO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744395 132302246 /nfs/dbraw/zinc/30/22/46/132302246.db2.gz UKVWXNTZTHYACN-MRXNPFEDSA-N 1 2 360.458 2.364 20 5 FEBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000088777384 542757365 /nfs/dbraw/zinc/75/73/65/542757365.db2.gz XSQDACJNIAONET-ZDUSSCGKSA-N 1 2 350.400 2.027 20 5 FEBDLO Cc1ccc(C[NH+]2CCN(CC(=O)NC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000093053807 542906076 /nfs/dbraw/zinc/90/60/76/542906076.db2.gz ZUICCTOSIVCODR-UHFFFAOYSA-N 1 2 374.485 2.470 20 5 FEBDLO Cc1ccc(CN2CC[NH+](CC(=O)NC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000093053807 542906078 /nfs/dbraw/zinc/90/60/78/542906078.db2.gz ZUICCTOSIVCODR-UHFFFAOYSA-N 1 2 374.485 2.470 20 5 FEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000104667397 543136572 /nfs/dbraw/zinc/13/65/72/543136572.db2.gz MIGYQMNVEYKCLA-UHFFFAOYSA-N 1 2 357.414 2.494 20 5 FEBDLO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000106380390 543226608 /nfs/dbraw/zinc/22/66/08/543226608.db2.gz LBNMCKFQBSXJNH-AWEZNQCLSA-N 1 2 357.357 2.149 20 5 FEBDLO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000106380390 543226610 /nfs/dbraw/zinc/22/66/10/543226610.db2.gz LBNMCKFQBSXJNH-AWEZNQCLSA-N 1 2 357.357 2.149 20 5 FEBDLO O=C(NCCCCn1cc[nH+]c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000108669817 543299592 /nfs/dbraw/zinc/29/95/92/543299592.db2.gz PIPUJWCSNXVNMV-UHFFFAOYSA-N 1 2 354.370 2.187 20 5 FEBDLO COc1cc(C(=O)NCc2cn3cc(C)ccc3[nH+]2)c([N+](=O)[O-])cc1OC ZINC000117693234 543637202 /nfs/dbraw/zinc/63/72/02/543637202.db2.gz CQQHPZWCSWRMLE-UHFFFAOYSA-N 1 2 370.365 2.498 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@@H](C(N)=O)O1 ZINC000123092481 543742008 /nfs/dbraw/zinc/74/20/08/543742008.db2.gz DBBQOONGJIZWQH-PXAZEXFGSA-N 1 2 352.390 2.021 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@@H](C(N)=O)O1 ZINC000123092481 543742013 /nfs/dbraw/zinc/74/20/13/543742013.db2.gz DBBQOONGJIZWQH-PXAZEXFGSA-N 1 2 352.390 2.021 20 5 FEBDLO CCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000122649997 543715905 /nfs/dbraw/zinc/71/59/05/543715905.db2.gz JUCBXZTUIBQVED-JSGCOSHPSA-N 1 2 351.403 2.431 20 5 FEBDLO CCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000122649997 543715907 /nfs/dbraw/zinc/71/59/07/543715907.db2.gz JUCBXZTUIBQVED-JSGCOSHPSA-N 1 2 351.403 2.431 20 5 FEBDLO CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000124367510 543817204 /nfs/dbraw/zinc/81/72/04/543817204.db2.gz OLGZVAPPMMZTIU-SFHVURJKSA-N 1 2 355.394 2.459 20 5 FEBDLO CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000124367510 543817209 /nfs/dbraw/zinc/81/72/09/543817209.db2.gz OLGZVAPPMMZTIU-SFHVURJKSA-N 1 2 355.394 2.459 20 5 FEBDLO CN1CC[NH+]([C@@H]2CCCCN(c3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000127041336 543969569 /nfs/dbraw/zinc/96/95/69/543969569.db2.gz RMJDIVNKGRNDPM-CYBMUJFWSA-N 1 2 353.854 2.250 20 5 FEBDLO COc1cc(OCC(=O)NCc2[nH+]ccn2CC(C)C)ccc1[N+](=O)[O-] ZINC000130813470 544166057 /nfs/dbraw/zinc/16/60/57/544166057.db2.gz GJBBFDQNZLGWFY-UHFFFAOYSA-N 1 2 362.386 2.151 20 5 FEBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000131393128 544188637 /nfs/dbraw/zinc/18/86/37/544188637.db2.gz NCYVWIMTFKIBBP-ROUUACIJSA-N 1 2 359.426 2.123 20 5 FEBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000131393128 544188639 /nfs/dbraw/zinc/18/86/39/544188639.db2.gz NCYVWIMTFKIBBP-ROUUACIJSA-N 1 2 359.426 2.123 20 5 FEBDLO Cc1ccc(NCCCNC(=O)[C@H]2CCn3c[nH+]cc3C2)c([N+](=O)[O-])c1 ZINC000132750125 544242749 /nfs/dbraw/zinc/24/27/49/544242749.db2.gz LWPOUSGSWKWTQV-AWEZNQCLSA-N 1 2 357.414 2.281 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccn(-c3ccccc3[N+](=O)[O-])n1)C2 ZINC000134565572 544313052 /nfs/dbraw/zinc/31/30/52/544313052.db2.gz ZRJCUYWPSVFDKM-ZDUSSCGKSA-N 1 2 366.381 2.030 20 5 FEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000154459796 544908960 /nfs/dbraw/zinc/90/89/60/544908960.db2.gz PDIFXWCIAFXJJY-YESZJQIVSA-N 1 2 362.382 2.046 20 5 FEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000154459796 544908963 /nfs/dbraw/zinc/90/89/63/544908963.db2.gz PDIFXWCIAFXJJY-YESZJQIVSA-N 1 2 362.382 2.046 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCCNc2cccc[nH+]2)s1 ZINC000180410682 327685138 /nfs/dbraw/zinc/68/51/38/327685138.db2.gz VXLKFGJJECPXRH-UHFFFAOYSA-N 1 2 356.429 2.369 20 5 FEBDLO Cn1cc(-c2cc(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)on2)cn1 ZINC000184981769 327893229 /nfs/dbraw/zinc/89/32/29/327893229.db2.gz VUXLJXJHUSCEHY-UHFFFAOYSA-N 1 2 368.397 2.306 20 5 FEBDLO COc1ccc(NC(=O)C[NH+]2CCC([C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000189219500 328135503 /nfs/dbraw/zinc/13/55/03/328135503.db2.gz CSSURGJOEDPUFA-QGZVFWFLSA-N 1 2 363.414 2.433 20 5 FEBDLO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000191172983 328252707 /nfs/dbraw/zinc/25/27/07/328252707.db2.gz ZCHBCJWSEPIJEV-IVMMDQJWSA-N 1 2 372.381 2.418 20 5 FEBDLO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000191172983 328252708 /nfs/dbraw/zinc/25/27/08/328252708.db2.gz ZCHBCJWSEPIJEV-IVMMDQJWSA-N 1 2 372.381 2.418 20 5 FEBDLO Cc1cc(C[NH+]2CCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)on1 ZINC000022251422 324398952 /nfs/dbraw/zinc/39/89/52/324398952.db2.gz IHZWUPZTOZDWLD-CQSZACIVSA-N 1 2 373.413 2.036 20 5 FEBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])NCCc1cn2ccccc2[nH+]1 ZINC000026287771 324426011 /nfs/dbraw/zinc/42/60/11/324426011.db2.gz VJGWTLDVQBAIKC-UHFFFAOYSA-N 1 2 368.397 2.196 20 5 FEBDLO C[NH+](C)CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000077277989 324983923 /nfs/dbraw/zinc/98/39/23/324983923.db2.gz MCRRKIPABZEEIJ-UHFFFAOYSA-N 1 2 359.382 2.171 20 5 FEBDLO COc1ccc(OCCN2CC[NH+](Cc3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000091077389 325372560 /nfs/dbraw/zinc/37/25/60/325372560.db2.gz HYPLSLUJOZXGLV-UHFFFAOYSA-N 1 2 372.425 2.195 20 5 FEBDLO COc1ccc(OCC[NH+]2CCN(Cc3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000091077389 325372562 /nfs/dbraw/zinc/37/25/62/325372562.db2.gz HYPLSLUJOZXGLV-UHFFFAOYSA-N 1 2 372.425 2.195 20 5 FEBDLO O=C(CN1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)NC1CCCCC1 ZINC000103145606 325508198 /nfs/dbraw/zinc/50/81/98/325508198.db2.gz KNKLHHBGFOQMQX-UHFFFAOYSA-N 1 2 360.458 2.161 20 5 FEBDLO O=C(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)NCC1CCCCC1 ZINC000118867134 326109996 /nfs/dbraw/zinc/10/99/96/326109996.db2.gz SXNQRCDGHNGYOB-HNNXBMFYSA-N 1 2 361.446 2.173 20 5 FEBDLO O=C(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)NCC1CCCCC1 ZINC000118867134 326110000 /nfs/dbraw/zinc/11/00/00/326110000.db2.gz SXNQRCDGHNGYOB-HNNXBMFYSA-N 1 2 361.446 2.173 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc[nH+]c2N(C)C)c1C ZINC000119648519 326184044 /nfs/dbraw/zinc/18/40/44/326184044.db2.gz ATBJJTIVRSMXSG-UHFFFAOYSA-N 1 2 364.427 2.151 20 5 FEBDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000121119993 326314992 /nfs/dbraw/zinc/31/49/92/326314992.db2.gz QAKYJGKVUIOSEY-NSHDSACASA-N 1 2 363.805 2.490 20 5 FEBDLO CN(C(=O)C[NH+]1CCN(c2cccs2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000121408607 326336444 /nfs/dbraw/zinc/33/64/44/326336444.db2.gz QMJOWHNNMYWTFT-UHFFFAOYSA-N 1 2 360.439 2.441 20 5 FEBDLO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000121509369 326344269 /nfs/dbraw/zinc/34/42/69/326344269.db2.gz NGXZQYCDOIDOSL-CYBMUJFWSA-N 1 2 355.341 2.439 20 5 FEBDLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000121509369 326344271 /nfs/dbraw/zinc/34/42/71/326344271.db2.gz NGXZQYCDOIDOSL-CYBMUJFWSA-N 1 2 355.341 2.439 20 5 FEBDLO Cc1nn(C)c(C)c1C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000122858491 326411660 /nfs/dbraw/zinc/41/16/60/326411660.db2.gz FJAFVWAEOQDUKG-UHFFFAOYSA-N 1 2 364.837 2.316 20 5 FEBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000126138066 326484018 /nfs/dbraw/zinc/48/40/18/326484018.db2.gz WEAIXYYSUHMWHZ-HNNXBMFYSA-N 1 2 367.409 2.336 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000151143069 326675698 /nfs/dbraw/zinc/67/56/98/326675698.db2.gz TYBGWHKCYPDYTE-HNNXBMFYSA-N 1 2 363.395 2.140 20 5 FEBDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163277416 327047923 /nfs/dbraw/zinc/04/79/23/327047923.db2.gz GCWVSWHYNUKYTC-CYBMUJFWSA-N 1 2 368.865 2.281 20 5 FEBDLO C[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)Cn1cc[nH+]c1 ZINC000165166373 327076910 /nfs/dbraw/zinc/07/69/10/327076910.db2.gz FHPVMJRWOIDJRX-ZDUSSCGKSA-N 1 2 354.370 2.043 20 5 FEBDLO C[C@H]([NH2+][C@@H](C)c1nnc2ccccn21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000172613368 327211500 /nfs/dbraw/zinc/21/15/00/327211500.db2.gz XJVVWULGMQXEJA-RYUDHWBXSA-N 1 2 354.370 2.315 20 5 FEBDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)S1 ZINC000173076444 327233715 /nfs/dbraw/zinc/23/37/15/327233715.db2.gz AQBYRURUMGCAHA-SNVBAGLBSA-N 1 2 368.846 2.497 20 5 FEBDLO Cc1cc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)nc(C)[nH+]1 ZINC000175470246 327394647 /nfs/dbraw/zinc/39/46/47/327394647.db2.gz BIPYXPMEERTZGR-UHFFFAOYSA-N 1 2 371.397 2.106 20 5 FEBDLO Cc1cc(NCCCN2C(=O)CCC2=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000264470061 329026861 /nfs/dbraw/zinc/02/68/61/329026861.db2.gz INSROTKLQRGGDH-UHFFFAOYSA-N 1 2 369.381 2.311 20 5 FEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000265252191 329107290 /nfs/dbraw/zinc/10/72/90/329107290.db2.gz KAGUWEVRMDFJTO-NSHDSACASA-N 1 2 352.778 2.419 20 5 FEBDLO CCN(CC)C(=O)C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265515660 329135064 /nfs/dbraw/zinc/13/50/64/329135064.db2.gz LIVKXFLBCZSXOI-UHFFFAOYSA-N 1 2 369.853 2.024 20 5 FEBDLO CCN(CC)C(=O)C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265515660 329135065 /nfs/dbraw/zinc/13/50/65/329135065.db2.gz LIVKXFLBCZSXOI-UHFFFAOYSA-N 1 2 369.853 2.024 20 5 FEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266289943 329208454 /nfs/dbraw/zinc/20/84/54/329208454.db2.gz JCNODLVAOCXNIQ-CQSZACIVSA-N 1 2 373.413 2.433 20 5 FEBDLO O=C(C[N@@H+](CCO)C1CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000266623987 329243059 /nfs/dbraw/zinc/24/30/59/329243059.db2.gz GULLQFCOSQWYDE-UHFFFAOYSA-N 1 2 362.411 2.114 20 5 FEBDLO O=C(C[N@H+](CCO)C1CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000266623987 329243060 /nfs/dbraw/zinc/24/30/60/329243060.db2.gz GULLQFCOSQWYDE-UHFFFAOYSA-N 1 2 362.411 2.114 20 5 FEBDLO CCc1cc(NC[C@@H]2CC[C@H](C(N)=O)O2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000268317465 329407675 /nfs/dbraw/zinc/40/76/75/329407675.db2.gz LYYUZMOFSJPSIG-LSDHHAIUSA-N 1 2 371.397 2.059 20 5 FEBDLO C[C@]1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000273363037 329858723 /nfs/dbraw/zinc/85/87/23/329858723.db2.gz SVXMINKUGKGHKE-WMZOPIPTSA-N 1 2 356.382 2.468 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275382990 330042244 /nfs/dbraw/zinc/04/22/44/330042244.db2.gz BFNXCMPJFXVNBQ-IAQYHMDHSA-N 1 2 351.403 2.023 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275382990 330042245 /nfs/dbraw/zinc/04/22/45/330042245.db2.gz BFNXCMPJFXVNBQ-IAQYHMDHSA-N 1 2 351.403 2.023 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000275442270 330049141 /nfs/dbraw/zinc/04/91/41/330049141.db2.gz KOFHMVPEYDABKY-HNNXBMFYSA-N 1 2 351.403 2.025 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000275442270 330049142 /nfs/dbraw/zinc/04/91/42/330049142.db2.gz KOFHMVPEYDABKY-HNNXBMFYSA-N 1 2 351.403 2.025 20 5 FEBDLO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@@H+]1CC(C)(C)O ZINC000275581606 330066554 /nfs/dbraw/zinc/06/65/54/330066554.db2.gz QIHQNOFGYLUTFP-SNVBAGLBSA-N 1 2 373.251 2.034 20 5 FEBDLO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@H+]1CC(C)(C)O ZINC000275581606 330066556 /nfs/dbraw/zinc/06/65/56/330066556.db2.gz QIHQNOFGYLUTFP-SNVBAGLBSA-N 1 2 373.251 2.034 20 5 FEBDLO CCc1cc(N)nc(SCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[nH+]1 ZINC000279078273 330173532 /nfs/dbraw/zinc/17/35/32/330173532.db2.gz LJJVCATTWBKUPE-UHFFFAOYSA-N 1 2 359.411 2.211 20 5 FEBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000367073352 330213866 /nfs/dbraw/zinc/21/38/66/330213866.db2.gz SBXISVNRVUBPQM-GOSISDBHSA-N 1 2 369.425 2.355 20 5 FEBDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000805825060 674355629 /nfs/dbraw/zinc/35/56/29/674355629.db2.gz IUINLLOIWGDITK-GFCCVEGCSA-N 1 2 355.366 2.453 20 5 FEBDLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000805825060 674355633 /nfs/dbraw/zinc/35/56/33/674355633.db2.gz IUINLLOIWGDITK-GFCCVEGCSA-N 1 2 355.366 2.453 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000156327912 545618308 /nfs/dbraw/zinc/61/83/08/545618308.db2.gz ZBHAFOPDQHRIEK-DYVFJYSZSA-N 1 2 356.382 2.470 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000156327912 545618309 /nfs/dbraw/zinc/61/83/09/545618309.db2.gz ZBHAFOPDQHRIEK-DYVFJYSZSA-N 1 2 356.382 2.470 20 5 FEBDLO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000157582118 545757728 /nfs/dbraw/zinc/75/77/28/545757728.db2.gz IEPMTAAAYQSBBN-CQSZACIVSA-N 1 2 350.396 2.474 20 5 FEBDLO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000157582118 545757733 /nfs/dbraw/zinc/75/77/33/545757733.db2.gz IEPMTAAAYQSBBN-CQSZACIVSA-N 1 2 350.396 2.474 20 5 FEBDLO CCN1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000480690934 561214514 /nfs/dbraw/zinc/21/45/14/561214514.db2.gz DGVWALSCKZHFOU-OAHLLOKOSA-N 1 2 373.413 2.296 20 5 FEBDLO CN(C(=O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178838128 546859686 /nfs/dbraw/zinc/85/96/86/546859686.db2.gz BFHIQFCONHADTH-CYBMUJFWSA-N 1 2 363.414 2.221 20 5 FEBDLO CN(C(=O)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178838128 546859692 /nfs/dbraw/zinc/85/96/92/546859692.db2.gz BFHIQFCONHADTH-CYBMUJFWSA-N 1 2 363.414 2.221 20 5 FEBDLO CC(C)CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000481695047 561238848 /nfs/dbraw/zinc/23/88/48/561238848.db2.gz IXRANPVWNMJVLH-CYBMUJFWSA-N 1 2 355.460 2.211 20 5 FEBDLO CCOC(=O)C[C@@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000181763546 547375428 /nfs/dbraw/zinc/37/54/28/547375428.db2.gz SKWABOGQKLEGIZ-GFCCVEGCSA-N 1 2 360.370 2.194 20 5 FEBDLO COc1ccc(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000181798026 547382443 /nfs/dbraw/zinc/38/24/43/547382443.db2.gz GLOKSGVOFMIBEK-OAHLLOKOSA-N 1 2 364.423 2.479 20 5 FEBDLO C[N@H+](CCOc1ccccc1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182172848 547447851 /nfs/dbraw/zinc/44/78/51/547447851.db2.gz UPBAYJNTGKXCKA-UHFFFAOYSA-N 1 2 364.423 2.379 20 5 FEBDLO C[N@@H+](CCOc1ccccc1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182172848 547447854 /nfs/dbraw/zinc/44/78/54/547447854.db2.gz UPBAYJNTGKXCKA-UHFFFAOYSA-N 1 2 364.423 2.379 20 5 FEBDLO CN1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000182268720 547464614 /nfs/dbraw/zinc/46/46/14/547464614.db2.gz NCJQHAJSCSQYQG-HKUYNNGSSA-N 1 2 371.437 2.323 20 5 FEBDLO CN1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000182268720 547464616 /nfs/dbraw/zinc/46/46/16/547464616.db2.gz NCJQHAJSCSQYQG-HKUYNNGSSA-N 1 2 371.437 2.323 20 5 FEBDLO O=C(C[N@@H+]1CCCN(c2ccccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000183830164 547726661 /nfs/dbraw/zinc/72/66/61/547726661.db2.gz KKZUDIMDRFSDGG-UHFFFAOYSA-N 1 2 355.398 2.141 20 5 FEBDLO O=C(C[N@H+]1CCCN(c2ccccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000183830164 547726667 /nfs/dbraw/zinc/72/66/67/547726667.db2.gz KKZUDIMDRFSDGG-UHFFFAOYSA-N 1 2 355.398 2.141 20 5 FEBDLO O=C1NCCC[C@@H]1[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000484995768 561310070 /nfs/dbraw/zinc/31/00/70/561310070.db2.gz JCKRQMDKEQIQSU-ZDUSSCGKSA-N 1 2 372.347 2.014 20 5 FEBDLO O=C1NCCC[C@H]1[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000484995766 561310080 /nfs/dbraw/zinc/31/00/80/561310080.db2.gz JCKRQMDKEQIQSU-CYBMUJFWSA-N 1 2 372.347 2.014 20 5 FEBDLO C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)[NH+]1CCOCC1 ZINC000184652377 547860709 /nfs/dbraw/zinc/86/07/09/547860709.db2.gz HPSJOWZWMQOFQC-VXGBXAGGSA-N 1 2 370.837 2.157 20 5 FEBDLO CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000184784777 547878633 /nfs/dbraw/zinc/87/86/33/547878633.db2.gz PRPDRSVEMBTJRF-NEPJUHHUSA-N 1 2 360.370 2.098 20 5 FEBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000194751352 548526508 /nfs/dbraw/zinc/52/65/08/548526508.db2.gz GOYKJKXLUXKNTQ-TXEJJXNPSA-N 1 2 355.822 2.429 20 5 FEBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000194751352 548526513 /nfs/dbraw/zinc/52/65/13/548526513.db2.gz GOYKJKXLUXKNTQ-TXEJJXNPSA-N 1 2 355.822 2.429 20 5 FEBDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487921311 561378985 /nfs/dbraw/zinc/37/89/85/561378985.db2.gz QXVIUBKRGDXJFO-CQSZACIVSA-N 1 2 371.441 2.180 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000245616635 548958320 /nfs/dbraw/zinc/95/83/20/548958320.db2.gz NEOCUFQEQRGEMI-UYAOXDASSA-N 1 2 372.421 2.278 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000245616635 548958324 /nfs/dbraw/zinc/95/83/24/548958324.db2.gz NEOCUFQEQRGEMI-UYAOXDASSA-N 1 2 372.421 2.278 20 5 FEBDLO CC[C@@H]1C[N@H+](CCNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CCO1 ZINC000488753355 561396066 /nfs/dbraw/zinc/39/60/66/561396066.db2.gz QVEQKABAMDHHLY-CQSZACIVSA-N 1 2 350.419 2.444 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CCO1 ZINC000488753355 561396067 /nfs/dbraw/zinc/39/60/67/561396067.db2.gz QVEQKABAMDHHLY-CQSZACIVSA-N 1 2 350.419 2.444 20 5 FEBDLO C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000247773884 549379149 /nfs/dbraw/zinc/37/91/49/549379149.db2.gz WNEUKDAAWWPNJW-IUODEOHRSA-N 1 2 350.400 2.063 20 5 FEBDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000248892053 549523733 /nfs/dbraw/zinc/52/37/33/549523733.db2.gz ZCHBCJWSEPIJEV-NOLJZWGESA-N 1 2 372.381 2.418 20 5 FEBDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000248892053 549523735 /nfs/dbraw/zinc/52/37/35/549523735.db2.gz ZCHBCJWSEPIJEV-NOLJZWGESA-N 1 2 372.381 2.418 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000249813710 549630703 /nfs/dbraw/zinc/63/07/03/549630703.db2.gz JJCMIQNPNYSZRG-HNNXBMFYSA-N 1 2 353.444 2.016 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000249813710 549630708 /nfs/dbraw/zinc/63/07/08/549630708.db2.gz JJCMIQNPNYSZRG-HNNXBMFYSA-N 1 2 353.444 2.016 20 5 FEBDLO C[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1n1cc[nH+]c1 ZINC000268395916 550058991 /nfs/dbraw/zinc/05/89/91/550058991.db2.gz SBBCINHAMCKMNO-IUODEOHRSA-N 1 2 372.381 2.286 20 5 FEBDLO CCOc1cc(C[NH+]2CCN(Cc3nc(C)no3)CC2)ccc1[N+](=O)[O-] ZINC000492584523 561451916 /nfs/dbraw/zinc/45/19/16/561451916.db2.gz VNWQLJMHMFIEKC-UHFFFAOYSA-N 1 2 361.402 2.003 20 5 FEBDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000275452566 550572126 /nfs/dbraw/zinc/57/21/26/550572126.db2.gz OCUWZLIEVCPGHM-CQSZACIVSA-N 1 2 365.433 2.232 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000277693500 550702562 /nfs/dbraw/zinc/70/25/62/550702562.db2.gz HGBBCJGNWDLFQN-OAHLLOKOSA-N 1 2 356.444 2.393 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000277693500 550702564 /nfs/dbraw/zinc/70/25/64/550702564.db2.gz HGBBCJGNWDLFQN-OAHLLOKOSA-N 1 2 356.444 2.393 20 5 FEBDLO Cc1c[nH+]ccc1OC1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000278632638 550806146 /nfs/dbraw/zinc/80/61/46/550806146.db2.gz LJLMGHQBASOCMN-UHFFFAOYSA-N 1 2 358.354 2.082 20 5 FEBDLO CSc1ccc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000279292184 550874367 /nfs/dbraw/zinc/87/43/67/550874367.db2.gz LQPZYAJIEZNJQF-LBPRGKRZSA-N 1 2 353.444 2.109 20 5 FEBDLO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000280893099 551043073 /nfs/dbraw/zinc/04/30/73/551043073.db2.gz GWZPDQSQJJGMKS-DZGCQCFKSA-N 1 2 365.430 2.167 20 5 FEBDLO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000280893099 551043074 /nfs/dbraw/zinc/04/30/74/551043074.db2.gz GWZPDQSQJJGMKS-DZGCQCFKSA-N 1 2 365.430 2.167 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCO[C@@]4(CCCOC4)C3)o2)cc1 ZINC000285401284 551750041 /nfs/dbraw/zinc/75/00/41/551750041.db2.gz TZYYGDYLRKKSHV-KRWDZBQOSA-N 1 2 360.370 2.026 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCO[C@@]4(CCCOC4)C3)o2)cc1 ZINC000285401284 551750042 /nfs/dbraw/zinc/75/00/42/551750042.db2.gz TZYYGDYLRKKSHV-KRWDZBQOSA-N 1 2 360.370 2.026 20 5 FEBDLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000285690272 551795827 /nfs/dbraw/zinc/79/58/27/551795827.db2.gz RRWZYEXNNXQWOW-ZDUSSCGKSA-N 1 2 361.851 2.104 20 5 FEBDLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000285690272 551795829 /nfs/dbraw/zinc/79/58/29/551795829.db2.gz RRWZYEXNNXQWOW-ZDUSSCGKSA-N 1 2 361.851 2.104 20 5 FEBDLO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000285987693 551835344 /nfs/dbraw/zinc/83/53/44/551835344.db2.gz IBKXZSUJEXZJTB-OAHLLOKOSA-N 1 2 359.382 2.342 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000286130911 551852236 /nfs/dbraw/zinc/85/22/36/551852236.db2.gz HGOCEMXDCMSQCA-UHFFFAOYSA-N 1 2 374.372 2.238 20 5 FEBDLO COC(=O)c1cc(C)nc(N[C@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000286401164 551883484 /nfs/dbraw/zinc/88/34/84/551883484.db2.gz ZPTRNXRQKQTTJG-LBPRGKRZSA-N 1 2 357.370 2.171 20 5 FEBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000286512294 551894670 /nfs/dbraw/zinc/89/46/70/551894670.db2.gz BHCRRJAEFNSSNP-UHFFFAOYSA-N 1 2 371.397 2.115 20 5 FEBDLO CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000500467937 561574021 /nfs/dbraw/zinc/57/40/21/561574021.db2.gz NJEOUMDFXBYRHT-UONOGXRCSA-N 1 2 362.430 2.221 20 5 FEBDLO CCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000500467937 561574022 /nfs/dbraw/zinc/57/40/22/561574022.db2.gz NJEOUMDFXBYRHT-UONOGXRCSA-N 1 2 362.430 2.221 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c1 ZINC000291179359 552596614 /nfs/dbraw/zinc/59/66/14/552596614.db2.gz BTYXUNSAQLYBQW-IUODEOHRSA-N 1 2 365.455 2.252 20 5 FEBDLO O=C(C[N@H+]1CC[C@@](CO)(c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000291680058 552650564 /nfs/dbraw/zinc/65/05/64/552650564.db2.gz GVESYSRBONLLCK-LJQANCHMSA-N 1 2 355.394 2.169 20 5 FEBDLO O=C(C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000291680058 552650565 /nfs/dbraw/zinc/65/05/65/552650565.db2.gz GVESYSRBONLLCK-LJQANCHMSA-N 1 2 355.394 2.169 20 5 FEBDLO Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000293114352 552790151 /nfs/dbraw/zinc/79/01/51/552790151.db2.gz LVTIVDAUTFQRRW-IBGZPJMESA-N 1 2 369.421 2.395 20 5 FEBDLO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000294681416 552926163 /nfs/dbraw/zinc/92/61/63/552926163.db2.gz BPONHHOXYIIUKE-VWLOTQADSA-N 1 2 368.455 2.179 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000295173672 552966162 /nfs/dbraw/zinc/96/61/62/552966162.db2.gz AUJNSPOABAGAQB-CQSZACIVSA-N 1 2 364.427 2.409 20 5 FEBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cnn(CC(F)F)c3)CC2)c1 ZINC000295471571 553012106 /nfs/dbraw/zinc/01/21/06/553012106.db2.gz WNUOIFXGVONLDO-UHFFFAOYSA-N 1 2 351.357 2.379 20 5 FEBDLO CC(C)(CNc1nccc2cc([N+](=O)[O-])ccc21)[NH+]1CCS(=O)CC1 ZINC000297029095 553244085 /nfs/dbraw/zinc/24/40/85/553244085.db2.gz HFUKENJTLXFZFR-UHFFFAOYSA-N 1 2 362.455 2.398 20 5 FEBDLO COc1cc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)c([N+](=O)[O-])cc1F ZINC000297775932 553337376 /nfs/dbraw/zinc/33/73/76/553337376.db2.gz PKAOXLIIDCCFEO-AWEZNQCLSA-N 1 2 364.333 2.328 20 5 FEBDLO COc1cc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)c([N+](=O)[O-])cc1F ZINC000297775932 553337378 /nfs/dbraw/zinc/33/73/78/553337378.db2.gz PKAOXLIIDCCFEO-AWEZNQCLSA-N 1 2 364.333 2.328 20 5 FEBDLO CCOC1(C)CC[NH+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000298227021 553400536 /nfs/dbraw/zinc/40/05/36/553400536.db2.gz GVXBEGLZYLYJLY-UHFFFAOYSA-N 1 2 365.386 2.153 20 5 FEBDLO CCOC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000298728554 553464829 /nfs/dbraw/zinc/46/48/29/553464829.db2.gz GJOPJSAUNIBWLC-OCCSQVGLSA-N 1 2 364.402 2.132 20 5 FEBDLO CCOC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000298728554 553464831 /nfs/dbraw/zinc/46/48/31/553464831.db2.gz GJOPJSAUNIBWLC-OCCSQVGLSA-N 1 2 364.402 2.132 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000299107728 553516467 /nfs/dbraw/zinc/51/64/67/553516467.db2.gz IZDYCGREQLEULQ-UHFFFAOYSA-N 1 2 370.409 2.416 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000299209500 553531020 /nfs/dbraw/zinc/53/10/20/553531020.db2.gz HHNLYFQIXOEIPU-CYBMUJFWSA-N 1 2 371.397 2.279 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000299310934 553546044 /nfs/dbraw/zinc/54/60/44/553546044.db2.gz OUNAVAOGTKEMHE-ZDUSSCGKSA-N 1 2 371.397 2.279 20 5 FEBDLO Cc1[nH]nc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1[N+](=O)[O-] ZINC000299559713 553581171 /nfs/dbraw/zinc/58/11/71/553581171.db2.gz SVZFEHHGMQTTPL-UHFFFAOYSA-N 1 2 350.404 2.321 20 5 FEBDLO CCc1cc(NC[C@@H]2C[N@H+](C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301168607 553627827 /nfs/dbraw/zinc/62/78/27/553627827.db2.gz WIIIMQUIJLEVPI-MRXNPFEDSA-N 1 2 357.414 2.357 20 5 FEBDLO CCc1cc(NC[C@@H]2C[N@@H+](C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301168607 553627830 /nfs/dbraw/zinc/62/78/30/553627830.db2.gz WIIIMQUIJLEVPI-MRXNPFEDSA-N 1 2 357.414 2.357 20 5 FEBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000505192492 561667633 /nfs/dbraw/zinc/66/76/33/561667633.db2.gz WQSFQLLAUVLQNB-MRXNPFEDSA-N 1 2 367.833 2.365 20 5 FEBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000505192492 561667634 /nfs/dbraw/zinc/66/76/34/561667634.db2.gz WQSFQLLAUVLQNB-MRXNPFEDSA-N 1 2 367.833 2.365 20 5 FEBDLO Cc1nc(CN2CCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)CC2)n[nH]1 ZINC000302115592 553704755 /nfs/dbraw/zinc/70/47/55/553704755.db2.gz BXLCAMJICYBDSR-UHFFFAOYSA-N 1 2 367.413 2.200 20 5 FEBDLO C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000302162550 553708177 /nfs/dbraw/zinc/70/81/77/553708177.db2.gz HWQNHBIOJWGWFA-OAHLLOKOSA-N 1 2 358.398 2.311 20 5 FEBDLO C[N@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000302162550 553708178 /nfs/dbraw/zinc/70/81/78/553708178.db2.gz HWQNHBIOJWGWFA-OAHLLOKOSA-N 1 2 358.398 2.311 20 5 FEBDLO O=[N+]([O-])c1ccc(NCCNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)cc1 ZINC000302781937 553732563 /nfs/dbraw/zinc/73/25/63/553732563.db2.gz JWKNXNJTBCNBNO-MRXNPFEDSA-N 1 2 372.429 2.260 20 5 FEBDLO O=[N+]([O-])c1ccc(NCCNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)cc1 ZINC000302781937 553732564 /nfs/dbraw/zinc/73/25/64/553732564.db2.gz JWKNXNJTBCNBNO-MRXNPFEDSA-N 1 2 372.429 2.260 20 5 FEBDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000331589815 554290149 /nfs/dbraw/zinc/29/01/49/554290149.db2.gz PQVTUOAXJLDWAJ-QBIMZIAESA-N 1 2 363.414 2.192 20 5 FEBDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000331589815 554290150 /nfs/dbraw/zinc/29/01/50/554290150.db2.gz PQVTUOAXJLDWAJ-QBIMZIAESA-N 1 2 363.414 2.192 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000510382070 561832871 /nfs/dbraw/zinc/83/28/71/561832871.db2.gz SGYCUXNPZIQUBM-AWEZNQCLSA-N 1 2 350.400 2.066 20 5 FEBDLO C[NH+](C)CCOc1ccc(CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000511181407 561860243 /nfs/dbraw/zinc/86/02/43/561860243.db2.gz FULPBNXPQZIXQC-UHFFFAOYSA-N 1 2 373.409 2.213 20 5 FEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000511240543 561862275 /nfs/dbraw/zinc/86/22/75/561862275.db2.gz LHVBPKDGYMZCRK-SNVBAGLBSA-N 1 2 361.851 2.271 20 5 FEBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000511240543 561862277 /nfs/dbraw/zinc/86/22/77/561862277.db2.gz LHVBPKDGYMZCRK-SNVBAGLBSA-N 1 2 361.851 2.271 20 5 FEBDLO CCc1c[nH+]ccc1NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000511893089 561884382 /nfs/dbraw/zinc/88/43/82/561884382.db2.gz WMXLKCNXXSVWEN-UHFFFAOYSA-N 1 2 352.354 2.116 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000363632663 555151055 /nfs/dbraw/zinc/15/10/55/555151055.db2.gz HCPGKVNPVLGVDC-UHFFFAOYSA-N 1 2 370.818 2.471 20 5 FEBDLO COc1ccc(OCC[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000363886606 555206940 /nfs/dbraw/zinc/20/69/40/555206940.db2.gz XQLZZXUKFUVQNY-QGZVFWFLSA-N 1 2 369.381 2.480 20 5 FEBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000363962029 555222834 /nfs/dbraw/zinc/22/28/34/555222834.db2.gz HULWMFRYXCSPEL-LLVKDONJSA-N 1 2 356.791 2.497 20 5 FEBDLO O=C(NC[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000365231609 555517915 /nfs/dbraw/zinc/51/79/15/555517915.db2.gz XRMDKZSSVXZQLG-OAHLLOKOSA-N 1 2 370.409 2.337 20 5 FEBDLO 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Cc1cc(C)c(NC(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(C)[nH+]1 ZINC000411302136 558872301 /nfs/dbraw/zinc/87/23/01/558872301.db2.gz SPGOPKOOKFPWFK-UHFFFAOYSA-N 1 2 368.393 2.438 20 5 FEBDLO Cn1cccc1[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411556124 558916527 /nfs/dbraw/zinc/91/65/27/558916527.db2.gz TUDRZRWNKBOCPQ-KRWDZBQOSA-N 1 2 358.398 2.335 20 5 FEBDLO Cn1cccc1[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411556124 558916529 /nfs/dbraw/zinc/91/65/29/558916529.db2.gz TUDRZRWNKBOCPQ-KRWDZBQOSA-N 1 2 358.398 2.335 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCCc3c(cnn3C)C2)c([N+](=O)[O-])c1 ZINC000411840790 558974036 /nfs/dbraw/zinc/97/40/36/558974036.db2.gz GPTQVNSHLRVWAT-UHFFFAOYSA-N 1 2 373.413 2.114 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CCCc3c(cnn3C)C2)c([N+](=O)[O-])c1 ZINC000411840790 558974037 /nfs/dbraw/zinc/97/40/37/558974037.db2.gz GPTQVNSHLRVWAT-UHFFFAOYSA-N 1 2 373.413 2.114 20 5 FEBDLO Cn1ncc2c1CCC[N@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000411843493 558974592 /nfs/dbraw/zinc/97/45/92/558974592.db2.gz KWLOZAFLLOBHSU-UHFFFAOYSA-N 1 2 354.370 2.327 20 5 FEBDLO Cn1ncc2c1CCC[N@@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000411843493 558974596 /nfs/dbraw/zinc/97/45/96/558974596.db2.gz KWLOZAFLLOBHSU-UHFFFAOYSA-N 1 2 354.370 2.327 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413069076 559074625 /nfs/dbraw/zinc/07/46/25/559074625.db2.gz LOBPWYYMTNVQFC-OLZOCXBDSA-N 1 2 373.413 2.213 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413069076 559074626 /nfs/dbraw/zinc/07/46/26/559074626.db2.gz LOBPWYYMTNVQFC-OLZOCXBDSA-N 1 2 373.413 2.213 20 5 FEBDLO C[C@@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000413146196 559082744 /nfs/dbraw/zinc/08/27/44/559082744.db2.gz OWXOPJHHMKCPBQ-CYBMUJFWSA-N 1 2 350.419 2.066 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000527254995 562282553 /nfs/dbraw/zinc/28/25/53/562282553.db2.gz YAKZJFCGKMMKMJ-UHFFFAOYSA-N 1 2 369.303 2.299 20 5 FEBDLO Cc1cc(N2C[C@H](CO)OC(C)(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420634892 559494460 /nfs/dbraw/zinc/49/44/60/559494460.db2.gz UGGFQUGHMSKZRV-OAHLLOKOSA-N 1 2 358.398 2.336 20 5 FEBDLO Cc1cc(CNC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000421912057 559556305 /nfs/dbraw/zinc/55/63/05/559556305.db2.gz DBQUWDGOHCQHPA-ZDUSSCGKSA-N 1 2 356.382 2.041 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000425318727 559696480 /nfs/dbraw/zinc/69/64/80/559696480.db2.gz OYKGHYFLWCTNIY-UHFFFAOYSA-N 1 2 354.370 2.289 20 5 FEBDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCO1 ZINC000428054931 559768844 /nfs/dbraw/zinc/76/88/44/559768844.db2.gz PNIPAGVWMILEJW-HNNXBMFYSA-N 1 2 362.430 2.010 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCO1 ZINC000428054931 559768845 /nfs/dbraw/zinc/76/88/45/559768845.db2.gz PNIPAGVWMILEJW-HNNXBMFYSA-N 1 2 362.430 2.010 20 5 FEBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000428361552 559773874 /nfs/dbraw/zinc/77/38/74/559773874.db2.gz URLHDXPOLXHTDZ-JTQLQIEISA-N 1 2 365.187 2.299 20 5 FEBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000428367256 559773995 /nfs/dbraw/zinc/77/39/95/559773995.db2.gz PJVUHKFXLKIUDS-LBPRGKRZSA-N 1 2 364.789 2.345 20 5 FEBDLO COc1cc[nH+]cc1CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000431576855 559841741 /nfs/dbraw/zinc/84/17/41/559841741.db2.gz VMYGNTCTOWOXBX-UHFFFAOYSA-N 1 2 351.384 2.094 20 5 FEBDLO CCN1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000432687722 559863065 /nfs/dbraw/zinc/86/30/65/559863065.db2.gz ABURDVSATPDCFN-CQSZACIVSA-N 1 2 374.401 2.237 20 5 FEBDLO CCN1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000433488136 559882851 /nfs/dbraw/zinc/88/28/51/559882851.db2.gz SRUXNHMVTQXTKD-CYBMUJFWSA-N 1 2 363.805 2.490 20 5 FEBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@@H+]1CCc2ccccc2C1 ZINC000436518961 559944072 /nfs/dbraw/zinc/94/40/72/559944072.db2.gz UJOQVVWRMSFLPT-ZDUSSCGKSA-N 1 2 355.394 2.477 20 5 FEBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@H+]1CCc2ccccc2C1 ZINC000436518961 559944073 /nfs/dbraw/zinc/94/40/73/559944073.db2.gz UJOQVVWRMSFLPT-ZDUSSCGKSA-N 1 2 355.394 2.477 20 5 FEBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)n(C2CC[NH+](C)CC2)n1 ZINC000436990195 559958870 /nfs/dbraw/zinc/95/88/70/559958870.db2.gz PLQVRHCGPZTMRF-UHFFFAOYSA-N 1 2 359.386 2.324 20 5 FEBDLO Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n(-c2cc[nH+]cc2)n1 ZINC000437304653 559963055 /nfs/dbraw/zinc/96/30/55/559963055.db2.gz JBGJLVHBCDJLKO-UHFFFAOYSA-N 1 2 359.367 2.285 20 5 FEBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC(C)(C)[NH+]1CCOCC1 ZINC000439131020 559988861 /nfs/dbraw/zinc/98/88/61/559988861.db2.gz LKZSLXURTJIKDR-UHFFFAOYSA-N 1 2 351.403 2.213 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)n1 ZINC000440644641 560015299 /nfs/dbraw/zinc/01/52/99/560015299.db2.gz VCPSDDUGONYQMS-QGZVFWFLSA-N 1 2 350.419 2.198 20 5 FEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000445849647 560135532 /nfs/dbraw/zinc/13/55/32/560135532.db2.gz PRLAXNICWRXZSF-JTQLQIEISA-N 1 2 367.203 2.301 20 5 FEBDLO COCCN(CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448878932 560204475 /nfs/dbraw/zinc/20/44/75/560204475.db2.gz VZAZVIWXVYKHEA-UHFFFAOYSA-N 1 2 372.303 2.431 20 5 FEBDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000449873924 560243536 /nfs/dbraw/zinc/24/35/36/560243536.db2.gz VKLDGHLHNCTWDE-LBPRGKRZSA-N 1 2 373.331 2.207 20 5 FEBDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000449873924 560243537 /nfs/dbraw/zinc/24/35/37/560243537.db2.gz VKLDGHLHNCTWDE-LBPRGKRZSA-N 1 2 373.331 2.207 20 5 FEBDLO COC(=O)Cc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000450230820 560254928 /nfs/dbraw/zinc/25/49/28/560254928.db2.gz HWZSSBNVQIKKQS-UHFFFAOYSA-N 1 2 372.381 2.286 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1nnc(C2CC2)[nH]1 ZINC000450627822 560268458 /nfs/dbraw/zinc/26/84/58/560268458.db2.gz JQEGYPCIYAAQDX-UHFFFAOYSA-N 1 2 358.402 2.035 20 5 FEBDLO Cc1cc(N2CC[N@@H+](CCO)C[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000450953823 560279798 /nfs/dbraw/zinc/27/97/98/560279798.db2.gz LYZRDSPBXKCNPX-LLVKDONJSA-N 1 2 358.236 2.169 20 5 FEBDLO Cc1cc(N2CC[N@H+](CCO)C[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000450953823 560279799 /nfs/dbraw/zinc/27/97/99/560279799.db2.gz LYZRDSPBXKCNPX-LLVKDONJSA-N 1 2 358.236 2.169 20 5 FEBDLO C[C@@H](CO)N(CC1CCC1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451063927 560285236 /nfs/dbraw/zinc/28/52/36/560285236.db2.gz NIJSHBORGHAUDY-ZDUSSCGKSA-N 1 2 358.398 2.404 20 5 FEBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2C(N)=O)cc1OC ZINC000451696148 560322723 /nfs/dbraw/zinc/32/27/23/560322723.db2.gz SEXRTSIRCJZKSS-GXTWGEPZSA-N 1 2 365.430 2.478 20 5 FEBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2C(N)=O)cc1OC ZINC000451696148 560322724 /nfs/dbraw/zinc/32/27/24/560322724.db2.gz SEXRTSIRCJZKSS-GXTWGEPZSA-N 1 2 365.430 2.478 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451883022 560334291 /nfs/dbraw/zinc/33/42/91/560334291.db2.gz CUSDYRCSBQLQMY-HZMBPMFUSA-N 1 2 361.320 2.087 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451883022 560334292 /nfs/dbraw/zinc/33/42/92/560334292.db2.gz CUSDYRCSBQLQMY-HZMBPMFUSA-N 1 2 361.320 2.087 20 5 FEBDLO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000451945245 560339880 /nfs/dbraw/zinc/33/98/80/560339880.db2.gz IEOMCFGKSOICAU-WPRPVWTQSA-N 1 2 356.791 2.429 20 5 FEBDLO COC(=O)c1ccc([C@H](C)[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)o1 ZINC000459490229 560689614 /nfs/dbraw/zinc/68/96/14/560689614.db2.gz BGLKDNGWTSCWLW-LBPRGKRZSA-N 1 2 360.370 2.253 20 5 FEBDLO COc1ccc(-c2ccc(C[NH2+][C@H](CO)c3ccnn3C)o2)c([N+](=O)[O-])c1 ZINC000459725048 560704607 /nfs/dbraw/zinc/70/46/07/560704607.db2.gz WXISEXWFJZJOSA-OAHLLOKOSA-N 1 2 372.381 2.420 20 5 FEBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000469182998 560949211 /nfs/dbraw/zinc/94/92/11/560949211.db2.gz BRMIEWSYNOACIX-CYBMUJFWSA-N 1 2 371.401 2.422 20 5 FEBDLO CC[C@H]1C[N@H+](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000470439911 560981889 /nfs/dbraw/zinc/98/18/89/560981889.db2.gz YXLHNSFTYIQBAK-AWEZNQCLSA-N 1 2 367.421 2.239 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000470439911 560981890 /nfs/dbraw/zinc/98/18/90/560981890.db2.gz YXLHNSFTYIQBAK-AWEZNQCLSA-N 1 2 367.421 2.239 20 5 FEBDLO CCN1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000471091110 560998225 /nfs/dbraw/zinc/99/82/25/560998225.db2.gz QLMJRWXUHWOOOI-CZUORRHYSA-N 1 2 372.429 2.024 20 5 FEBDLO COC(=O)COc1ccc(C[N@@H+]2CCOC[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000475724595 561103490 /nfs/dbraw/zinc/10/34/90/561103490.db2.gz KXFWTENRJOZZRS-OAHLLOKOSA-N 1 2 366.414 2.394 20 5 FEBDLO COC(=O)COc1ccc(C[N@H+]2CCOC[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000475724595 561103491 /nfs/dbraw/zinc/10/34/91/561103491.db2.gz KXFWTENRJOZZRS-OAHLLOKOSA-N 1 2 366.414 2.394 20 5 FEBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCc1ccn2cc[nH+]c2c1 ZINC000531885572 562460077 /nfs/dbraw/zinc/46/00/77/562460077.db2.gz ZGYBLBPAFFFPTH-UHFFFAOYSA-N 1 2 355.354 2.121 20 5 FEBDLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000532069128 562466053 /nfs/dbraw/zinc/46/60/53/562466053.db2.gz HVNSVUGQVUBNBD-UHFFFAOYSA-N 1 2 372.400 2.286 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)c1 ZINC000541821574 562620638 /nfs/dbraw/zinc/62/06/38/562620638.db2.gz SPQVEEJGTKSCIE-UHFFFAOYSA-N 1 2 355.460 2.174 20 5 FEBDLO Cc1cc[nH+]cc1N1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000545970245 562631837 /nfs/dbraw/zinc/63/18/37/562631837.db2.gz UYUJQXJFMNWOOE-UHFFFAOYSA-N 1 2 355.398 2.330 20 5 FEBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]Cc1nnnn1CC1CC1 ZINC000602619054 567998361 /nfs/dbraw/zinc/99/83/61/567998361.db2.gz KUXCQSFKCJOLMA-UHFFFAOYSA-N 1 2 356.308 2.300 20 5 FEBDLO C[S@@](=O)c1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000602668679 568014277 /nfs/dbraw/zinc/01/42/77/568014277.db2.gz FMHAQRJUWLGOJZ-AREMUKBSSA-N 1 2 374.466 2.486 20 5 FEBDLO COC(=O)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)CC1CC1 ZINC000569012931 568266560 /nfs/dbraw/zinc/26/65/60/568266560.db2.gz LJQNLTRIGQDQPI-CQSZACIVSA-N 1 2 372.381 2.100 20 5 FEBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cccc([N+](=O)[O-])c1Br ZINC000807684732 674424211 /nfs/dbraw/zinc/42/42/11/674424211.db2.gz FJQXLCMFCHXIRT-SECBINFHSA-N 1 2 365.187 2.299 20 5 FEBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCCCCNc1cccc[nH+]1 ZINC000738360361 598375137 /nfs/dbraw/zinc/37/51/37/598375137.db2.gz VWYUCLWIAGGJTP-UHFFFAOYSA-N 1 2 354.374 2.474 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCCn2cc[nH+]c2)c1Cl ZINC000809387736 674492760 /nfs/dbraw/zinc/49/27/60/674492760.db2.gz CNTHJSMVVFBJSU-UHFFFAOYSA-N 1 2 365.198 2.077 20 5 FEBDLO CS[C@H](CO)[C@H](C)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000560527714 674597925 /nfs/dbraw/zinc/59/79/25/674597925.db2.gz NXFWBLZQDKDRHB-NILFDRSVSA-N 1 2 350.444 2.120 20 5 FEBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000587036299 672439861 /nfs/dbraw/zinc/43/98/61/672439861.db2.gz UPDGTJWJNSNPFG-JTQLQIEISA-N 1 2 365.187 2.299 20 5 FEBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000587036167 672439900 /nfs/dbraw/zinc/43/99/00/672439900.db2.gz MBUISCGLCRUHBZ-JQWIXIFHSA-N 1 2 364.789 2.343 20 5 FEBDLO CSC[C@@H](CCO)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000611560957 676044303 /nfs/dbraw/zinc/04/43/03/676044303.db2.gz UYRXYXQALMDHDW-HIFRSBDPSA-N 1 2 350.444 2.121 20 5 FEBDLO COc1ccc(Cl)c(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000593036822 672866394 /nfs/dbraw/zinc/86/63/94/672866394.db2.gz JQAHRDIHCHYSEB-UHFFFAOYSA-N 1 2 365.821 2.276 20 5 FEBDLO CC(C)(CNc1ccnc2cc([N+](=O)[O-])ccc21)[NH+]1CCS(=O)CC1 ZINC000593461337 672926946 /nfs/dbraw/zinc/92/69/46/672926946.db2.gz KEOLSYYFGMOORJ-UHFFFAOYSA-N 1 2 362.455 2.398 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594485310 673089142 /nfs/dbraw/zinc/08/91/42/673089142.db2.gz ZSOHODIRYQIUJG-QWHCGFSZSA-N 1 2 357.407 2.029 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594485310 673089147 /nfs/dbraw/zinc/08/91/47/673089147.db2.gz ZSOHODIRYQIUJG-QWHCGFSZSA-N 1 2 357.407 2.029 20 5 FEBDLO Cn1ccnc1[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595068364 673190526 /nfs/dbraw/zinc/19/05/26/673190526.db2.gz LLHFLBQEGFLISN-KGLIPLIRSA-N 1 2 352.341 2.432 20 5 FEBDLO COc1cc(C[N@H+](C)C[C@@H]2COCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000595743098 673287946 /nfs/dbraw/zinc/28/79/46/673287946.db2.gz QEAUQFLCBFLOFC-LLVKDONJSA-N 1 2 362.329 2.052 20 5 FEBDLO COc1cc(C[N@@H+](C)C[C@@H]2COCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000595743098 673287948 /nfs/dbraw/zinc/28/79/48/673287948.db2.gz QEAUQFLCBFLOFC-LLVKDONJSA-N 1 2 362.329 2.052 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000595781048 673324488 /nfs/dbraw/zinc/32/44/88/673324488.db2.gz PUOOTMPCHDMMRB-FRRDWIJNSA-N 1 2 351.403 2.430 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000595781048 673324492 /nfs/dbraw/zinc/32/44/92/673324492.db2.gz PUOOTMPCHDMMRB-FRRDWIJNSA-N 1 2 351.403 2.430 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C[NH+](C)C ZINC000733868545 673441323 /nfs/dbraw/zinc/44/13/23/673441323.db2.gz KYZXLGPABQKUIR-UHFFFAOYSA-N 1 2 365.411 2.466 20 5 FEBDLO Cn1c(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)ccc1[N+](=O)[O-] ZINC000597639562 673495367 /nfs/dbraw/zinc/49/53/67/673495367.db2.gz CFORNHVYGQRRAS-UHFFFAOYSA-N 1 2 363.443 2.168 20 5 FEBDLO CC[N@@H+]1CC[C@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000542120877 673562501 /nfs/dbraw/zinc/56/25/01/673562501.db2.gz DOLAYQWTJUQACT-MNOVXSKESA-N 1 2 361.489 2.369 20 5 FEBDLO CC[N@H+]1CC[C@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000542120877 673562504 /nfs/dbraw/zinc/56/25/04/673562504.db2.gz DOLAYQWTJUQACT-MNOVXSKESA-N 1 2 361.489 2.369 20 5 FEBDLO Cc1ccc(S(=O)(=O)NCCCCn2cc[nH+]c2)c(C)c1[N+](=O)[O-] ZINC000598608445 673589916 /nfs/dbraw/zinc/58/99/16/673589916.db2.gz SQQOZDGEEZXPNX-UHFFFAOYSA-N 1 2 352.416 2.167 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCCCn2cc[nH+]c2)c1 ZINC000544667219 673724652 /nfs/dbraw/zinc/72/46/52/673724652.db2.gz HILDHJWXXOIUKB-UHFFFAOYSA-N 1 2 352.416 2.167 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])s1 ZINC000601300873 673839848 /nfs/dbraw/zinc/83/98/48/673839848.db2.gz KYWYXKUFZDYXDI-UHFFFAOYSA-N 1 2 359.473 2.214 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])s1 ZINC000601336869 673844335 /nfs/dbraw/zinc/84/43/35/673844335.db2.gz ONAXFXBPINSQOS-NSHDSACASA-N 1 2 356.429 2.187 20 5 FEBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000830162078 677028103 /nfs/dbraw/zinc/02/81/03/677028103.db2.gz DQPHKDSHAIOMND-LBPRGKRZSA-N 1 2 353.444 2.157 20 5 FEBDLO CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000839719346 680774343 /nfs/dbraw/zinc/77/43/43/680774343.db2.gz PMRBNIFFGAUFIW-JUDXGUMMSA-N 1 2 355.797 2.396 20 5 FEBDLO CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000839719346 680774344 /nfs/dbraw/zinc/77/43/44/680774344.db2.gz PMRBNIFFGAUFIW-JUDXGUMMSA-N 1 2 355.797 2.396 20 5 FEBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2cccc([N+](=O)[O-])c2Br)C1 ZINC000840235860 680809377 /nfs/dbraw/zinc/80/93/77/680809377.db2.gz XVTMYJRKOWJJRC-GFCCVEGCSA-N 1 2 373.203 2.121 20 5 FEBDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2cccc([N+](=O)[O-])c2Br)C1 ZINC000840235860 680809378 /nfs/dbraw/zinc/80/93/78/680809378.db2.gz XVTMYJRKOWJJRC-GFCCVEGCSA-N 1 2 373.203 2.121 20 5 FEBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000840324005 680815510 /nfs/dbraw/zinc/81/55/10/680815510.db2.gz VYEWLHLYRXXBCC-UHFFFAOYSA-N 1 2 370.837 2.158 20 5 FEBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC001005379791 680573220 /nfs/dbraw/zinc/57/32/20/680573220.db2.gz WSZIAZRUUAOOIK-HUUCEWRRSA-N 1 2 364.471 2.109 20 5 FEBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccsc1 ZINC000768804806 680958994 /nfs/dbraw/zinc/95/89/94/680958994.db2.gz BLDNAJOEEYWAGU-LLVKDONJSA-N 1 2 361.470 2.299 20 5 FEBDLO C[C@H]([C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[NH+]1CCOCC1 ZINC000770021169 681003225 /nfs/dbraw/zinc/00/32/25/681003225.db2.gz SWDYKOLZNZGDKR-WDEREUQCSA-N 1 2 356.810 2.479 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c1F ZINC000771749806 681067899 /nfs/dbraw/zinc/06/78/99/681067899.db2.gz CAVAOJPWKGIGBA-GFCCVEGCSA-N 1 2 368.390 2.265 20 5 FEBDLO COC[C@@H]1CC[C@H]([C@H]2COCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)O1 ZINC000933199220 681374553 /nfs/dbraw/zinc/37/45/53/681374553.db2.gz HSKDGJPAADQGCU-RCCFBDPRSA-N 1 2 350.415 2.032 20 5 FEBDLO COC[C@@H]1CC[C@H]([C@H]2COCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)O1 ZINC000933199220 681374557 /nfs/dbraw/zinc/37/45/57/681374557.db2.gz HSKDGJPAADQGCU-RCCFBDPRSA-N 1 2 350.415 2.032 20 5 FEBDLO C[C@H]1[C@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)CCN1C(=O)OC(C)(C)C ZINC000776606321 681415370 /nfs/dbraw/zinc/41/53/70/681415370.db2.gz JRXYJWIBPUCCBY-STQMWFEESA-N 1 2 353.423 2.121 20 5 FEBDLO C[C@H]1[C@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCN1C(=O)OC(C)(C)C ZINC000776606321 681415372 /nfs/dbraw/zinc/41/53/72/681415372.db2.gz JRXYJWIBPUCCBY-STQMWFEESA-N 1 2 353.423 2.121 20 5 FEBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913546812 685479576 /nfs/dbraw/zinc/47/95/76/685479576.db2.gz XYGORQXNYPJNMS-CQSZACIVSA-N 1 2 367.471 2.236 20 5 FEBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913546812 685479577 /nfs/dbraw/zinc/47/95/77/685479577.db2.gz XYGORQXNYPJNMS-CQSZACIVSA-N 1 2 367.471 2.236 20 5 FEBDLO Cc1noc(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)c1[N+](=O)[O-] ZINC000851955637 682191973 /nfs/dbraw/zinc/19/19/73/682191973.db2.gz YNRAKGSUCKHQNM-UHFFFAOYSA-N 1 2 353.766 2.378 20 5 FEBDLO COc1cc(C[NH+]2CCC(N3CCOC3=O)CC2)c([N+](=O)[O-])cc1F ZINC000852721032 682325823 /nfs/dbraw/zinc/32/58/23/682325823.db2.gz BMOKSRURQWMRRW-UHFFFAOYSA-N 1 2 353.350 2.159 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000786783124 682404917 /nfs/dbraw/zinc/40/49/17/682404917.db2.gz RFNDAMTZNKQODB-CYBMUJFWSA-N 1 2 350.400 2.036 20 5 FEBDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1cccc(Br)c1[N+](=O)[O-] ZINC000856729804 682799686 /nfs/dbraw/zinc/79/96/86/682799686.db2.gz VMFZQTDPOWOHFX-LLVKDONJSA-N 1 2 357.252 2.405 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2nc(C[NH+](C)C)cs2)c1 ZINC000927772015 683309963 /nfs/dbraw/zinc/30/99/63/683309963.db2.gz OCTBXPADYUXGJA-UHFFFAOYSA-N 1 2 350.400 2.052 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CC[C@H](C(F)(F)F)O3)CC2)cn1 ZINC000929171156 683556561 /nfs/dbraw/zinc/55/65/61/683556561.db2.gz GXHAFDMQKLIQPH-CHWSQXEVSA-N 1 2 360.336 2.222 20 5 FEBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000930317664 683710308 /nfs/dbraw/zinc/71/03/08/683710308.db2.gz WMEGVTLRPYENOE-CQSZACIVSA-N 1 2 350.419 2.444 20 5 FEBDLO CO[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)[C@@](C)(CO)C1 ZINC000931471589 684287594 /nfs/dbraw/zinc/28/75/94/684287594.db2.gz SPSHLHNDFLZJJY-TZMCWYRMSA-N 1 2 359.220 2.329 20 5 FEBDLO CO[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)[C@@](C)(CO)C1 ZINC000931471589 684287598 /nfs/dbraw/zinc/28/75/98/684287598.db2.gz SPSHLHNDFLZJJY-TZMCWYRMSA-N 1 2 359.220 2.329 20 5 FEBDLO CO[C@@H]1C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@](C)(CO)C1 ZINC000879261146 686782852 /nfs/dbraw/zinc/78/28/52/686782852.db2.gz FYKYSBDWCKJHQZ-FZMZJTMJSA-N 1 2 359.220 2.329 20 5 FEBDLO CO[C@@H]1C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@](C)(CO)C1 ZINC000879261146 686782859 /nfs/dbraw/zinc/78/28/59/686782859.db2.gz FYKYSBDWCKJHQZ-FZMZJTMJSA-N 1 2 359.220 2.329 20 5 FEBDLO COc1c(O)ccc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c1[N+](=O)[O-] ZINC000894182439 689482104 /nfs/dbraw/zinc/48/21/04/689482104.db2.gz OCKACEVEMUHZKT-QGZVFWFLSA-N 1 2 352.387 2.079 20 5 FEBDLO COc1c(O)ccc(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c1[N+](=O)[O-] ZINC000894182439 689482105 /nfs/dbraw/zinc/48/21/05/689482105.db2.gz OCKACEVEMUHZKT-QGZVFWFLSA-N 1 2 352.387 2.079 20 5 FEBDLO COc1c(O)ccc(C[N@@H+]2CC[C@@](OC)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000896003786 689805918 /nfs/dbraw/zinc/80/59/18/689805918.db2.gz YMWYJGNKGWOFLU-ZDUSSCGKSA-N 1 2 350.293 2.462 20 5 FEBDLO COc1c(O)ccc(C[N@H+]2CC[C@@](OC)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000896003786 689805923 /nfs/dbraw/zinc/80/59/23/689805923.db2.gz YMWYJGNKGWOFLU-ZDUSSCGKSA-N 1 2 350.293 2.462 20 5 FEBDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000014006833 539593256 /nfs/dbraw/zinc/59/32/56/539593256.db2.gz CIKQEEWLCCZQFM-UHFFFAOYSA-N 1 2 368.393 2.235 20 5 FEBDLO CCOC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000025912560 539772806 /nfs/dbraw/zinc/77/28/06/539772806.db2.gz NAKPWYFCAPNBNL-ZDUSSCGKSA-N 1 2 360.370 2.420 20 5 FEBDLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000025912560 539772809 /nfs/dbraw/zinc/77/28/09/539772809.db2.gz NAKPWYFCAPNBNL-ZDUSSCGKSA-N 1 2 360.370 2.420 20 5 FEBDLO CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026349927 539784988 /nfs/dbraw/zinc/78/49/88/539784988.db2.gz WYIPZWUTRNGMDJ-CYBMUJFWSA-N 1 2 370.409 2.413 20 5 FEBDLO CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026349927 539784991 /nfs/dbraw/zinc/78/49/91/539784991.db2.gz WYIPZWUTRNGMDJ-CYBMUJFWSA-N 1 2 370.409 2.413 20 5 FEBDLO NC(=O)c1ccc(C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000027908275 539819884 /nfs/dbraw/zinc/81/98/84/539819884.db2.gz UQZJTQBOYPRSRW-UHFFFAOYSA-N 1 2 368.393 2.297 20 5 FEBDLO NC(=O)c1ccc(C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000027908275 539819885 /nfs/dbraw/zinc/81/98/85/539819885.db2.gz UQZJTQBOYPRSRW-UHFFFAOYSA-N 1 2 368.393 2.297 20 5 FEBDLO CCOc1ccc(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000032430393 539938283 /nfs/dbraw/zinc/93/82/83/539938283.db2.gz FJECLIWVRLUICG-MCIONIFRSA-N 1 2 365.430 2.221 20 5 FEBDLO CCOc1ccc(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000032430393 539938286 /nfs/dbraw/zinc/93/82/86/539938286.db2.gz FJECLIWVRLUICG-MCIONIFRSA-N 1 2 365.430 2.221 20 5 FEBDLO CN(C)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000033241467 539972361 /nfs/dbraw/zinc/97/23/61/539972361.db2.gz XIYIMKKJIGVANJ-UHFFFAOYSA-N 1 2 352.354 2.494 20 5 FEBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000044790300 540141749 /nfs/dbraw/zinc/14/17/49/540141749.db2.gz NNXJAEBGQUITES-UHFFFAOYSA-N 1 2 366.786 2.374 20 5 FEBDLO Cc1ccc2[nH+]c(CN3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cn2c1 ZINC000045915557 540234096 /nfs/dbraw/zinc/23/40/96/540234096.db2.gz WGBRNKYZXLWVQI-UHFFFAOYSA-N 1 2 352.398 2.268 20 5 FEBDLO Cc1ccc2nc(C[NH+]3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cn2c1 ZINC000045915557 540234099 /nfs/dbraw/zinc/23/40/99/540234099.db2.gz WGBRNKYZXLWVQI-UHFFFAOYSA-N 1 2 352.398 2.268 20 5 FEBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000047475713 540313302 /nfs/dbraw/zinc/31/33/02/540313302.db2.gz DEJDMYGKPAPJII-UHFFFAOYSA-N 1 2 351.366 2.473 20 5 FEBDLO CC(=O)NCC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000052848589 540493398 /nfs/dbraw/zinc/49/33/98/540493398.db2.gz KSIBCEHZJHLIPR-UHFFFAOYSA-N 1 2 368.821 2.035 20 5 FEBDLO C[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000056360198 540721088 /nfs/dbraw/zinc/72/10/88/540721088.db2.gz FKYBQUHFFKXOHZ-ZDUSSCGKSA-N 1 2 350.419 2.066 20 5 FEBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000057845202 540819725 /nfs/dbraw/zinc/81/97/25/540819725.db2.gz IDKPKNIXIIQPCX-UHFFFAOYSA-N 1 2 371.319 2.085 20 5 FEBDLO Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000063947917 541192498 /nfs/dbraw/zinc/19/24/98/541192498.db2.gz CFEBNADHPMHCFT-UHFFFAOYSA-N 1 2 365.349 2.440 20 5 FEBDLO Cc1noc(C)c1CN1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000065545004 541244809 /nfs/dbraw/zinc/24/48/09/541244809.db2.gz HEEMSTYCUQZMOJ-UHFFFAOYSA-N 1 2 360.414 2.396 20 5 FEBDLO Cc1noc(C)c1C[NH+]1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000065545004 541244811 /nfs/dbraw/zinc/24/48/11/541244811.db2.gz HEEMSTYCUQZMOJ-UHFFFAOYSA-N 1 2 360.414 2.396 20 5 FEBDLO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066372392 541309509 /nfs/dbraw/zinc/30/95/09/541309509.db2.gz AVXAMKOGRDGHHJ-UHFFFAOYSA-N 1 2 373.394 2.040 20 5 FEBDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000067164745 541427359 /nfs/dbraw/zinc/42/73/59/541427359.db2.gz IUSOPADFLAUULG-UHFFFAOYSA-N 1 2 358.398 2.466 20 5 FEBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCn1cc[nH+]c1 ZINC000068349926 541580777 /nfs/dbraw/zinc/58/07/77/541580777.db2.gz KTQRTEMLXBANIB-NSHDSACASA-N 1 2 352.778 2.419 20 5 FEBDLO Cc1cccc2[nH+]c(CNC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)cn21 ZINC000068571471 541610439 /nfs/dbraw/zinc/61/04/39/541610439.db2.gz GUHNXOHSVWBXDK-UHFFFAOYSA-N 1 2 368.349 2.252 20 5 FEBDLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1[N+](=O)[O-] ZINC000069687481 541704070 /nfs/dbraw/zinc/70/40/70/541704070.db2.gz GZGCVQQVESBTBP-INIZCTEOSA-N 1 2 355.394 2.226 20 5 FEBDLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1[N+](=O)[O-] ZINC000069687481 541704074 /nfs/dbraw/zinc/70/40/74/541704074.db2.gz GZGCVQQVESBTBP-INIZCTEOSA-N 1 2 355.394 2.226 20 5 FEBDLO COc1cc(OCC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000075533599 542185418 /nfs/dbraw/zinc/18/54/18/542185418.db2.gz PEJIWXMHPASXKY-LBPRGKRZSA-N 1 2 360.370 2.112 20 5 FEBDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)NCc1ccc([N+](=O)[O-])cc1 ZINC000076075844 542229554 /nfs/dbraw/zinc/22/95/54/542229554.db2.gz CEISFUJHYPEHIG-UHFFFAOYSA-N 1 2 357.292 2.353 20 5 FEBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000055417508 221069811 /nfs/dbraw/zinc/06/98/11/221069811.db2.gz VBABYUWDXCHFAE-ZIAGYGMSSA-N 1 2 373.413 2.039 20 5 FEBDLO Cc1ccc(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000080971161 542620652 /nfs/dbraw/zinc/62/06/52/542620652.db2.gz AINUHROTVRKVQK-UHFFFAOYSA-N 1 2 369.425 2.449 20 5 FEBDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092585323 542873040 /nfs/dbraw/zinc/87/30/40/542873040.db2.gz OZRKDPVDCQSEQJ-NSHDSACASA-N 1 2 365.411 2.141 20 5 FEBDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092585323 542873044 /nfs/dbraw/zinc/87/30/44/542873044.db2.gz OZRKDPVDCQSEQJ-NSHDSACASA-N 1 2 365.411 2.141 20 5 FEBDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093887226 542943913 /nfs/dbraw/zinc/94/39/13/542943913.db2.gz QHLMWWNPTVJATH-QGZVFWFLSA-N 1 2 362.361 2.082 20 5 FEBDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093887226 542943916 /nfs/dbraw/zinc/94/39/16/542943916.db2.gz QHLMWWNPTVJATH-QGZVFWFLSA-N 1 2 362.361 2.082 20 5 FEBDLO O=C(COc1ccc(F)cc1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000097325035 543009622 /nfs/dbraw/zinc/00/96/22/543009622.db2.gz ILTHENLBPMTVHT-UHFFFAOYSA-N 1 2 373.384 2.457 20 5 FEBDLO Cc1c(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000101861665 543046832 /nfs/dbraw/zinc/04/68/32/543046832.db2.gz LDPMZAJGKXEZEZ-UHFFFAOYSA-N 1 2 359.342 2.485 20 5 FEBDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000115387898 543564156 /nfs/dbraw/zinc/56/41/56/543564156.db2.gz VMUVEOGUFYSRLW-UHFFFAOYSA-N 1 2 371.441 2.212 20 5 FEBDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000115388490 543564321 /nfs/dbraw/zinc/56/43/21/543564321.db2.gz VFVKQTZOGBSBNM-UHFFFAOYSA-N 1 2 371.441 2.212 20 5 FEBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N[C@@H](C)C[NH+]1CCOCC1 ZINC000121867960 543700507 /nfs/dbraw/zinc/70/05/07/543700507.db2.gz ZRRALYMDMBCERZ-NSHDSACASA-N 1 2 355.366 2.043 20 5 FEBDLO CN(Cc1[nH+]ccn1C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000127489593 543996301 /nfs/dbraw/zinc/99/63/01/543996301.db2.gz CKDNFWQVUYFTAF-UHFFFAOYSA-N 1 2 357.414 2.203 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000127549286 543999218 /nfs/dbraw/zinc/99/92/18/543999218.db2.gz ZLVWQBKQCLMPNA-UONOGXRCSA-N 1 2 350.419 2.442 20 5 FEBDLO Cc1cccn2c(=O)cc(C[N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)nc12 ZINC000131291267 544184177 /nfs/dbraw/zinc/18/41/77/544184177.db2.gz RKMYBFVULMWDCU-UHFFFAOYSA-N 1 2 350.378 2.469 20 5 FEBDLO Cc1cccn2c(=O)cc(C[N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)nc12 ZINC000131291267 544184179 /nfs/dbraw/zinc/18/41/79/544184179.db2.gz RKMYBFVULMWDCU-UHFFFAOYSA-N 1 2 350.378 2.469 20 5 FEBDLO CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCOCC1 ZINC000105585948 222371106 /nfs/dbraw/zinc/37/11/06/222371106.db2.gz QBCWVUVEVFISAL-OAHLLOKOSA-N 1 2 355.822 2.335 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135736879 544360215 /nfs/dbraw/zinc/36/02/15/544360215.db2.gz IDTQTGOHAQUILJ-CQSZACIVSA-N 1 2 373.862 2.248 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135736879 544360217 /nfs/dbraw/zinc/36/02/17/544360217.db2.gz IDTQTGOHAQUILJ-CQSZACIVSA-N 1 2 373.862 2.248 20 5 FEBDLO C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000151239333 544519968 /nfs/dbraw/zinc/51/99/68/544519968.db2.gz WNEUKDAAWWPNJW-WFASDCNBSA-N 1 2 350.400 2.063 20 5 FEBDLO Cc1cc(NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)ccc1[N+](=O)[O-] ZINC000153781498 544822956 /nfs/dbraw/zinc/82/29/56/544822956.db2.gz KZWWMCOJHJDXPU-UHFFFAOYSA-N 1 2 356.386 2.356 20 5 FEBDLO Cc1c(C(=O)N(C)CCCn2cc[nH+]c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000155175483 544998556 /nfs/dbraw/zinc/99/85/56/544998556.db2.gz CHRBGSVJWAFKAL-UHFFFAOYSA-N 1 2 361.358 2.479 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000182196577 327765112 /nfs/dbraw/zinc/76/51/12/327765112.db2.gz VVBPRJAVHSACEQ-UHFFFAOYSA-N 1 2 362.430 2.032 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000182237766 327767144 /nfs/dbraw/zinc/76/71/44/327767144.db2.gz IHOWQEXZGUDFLQ-CYBMUJFWSA-N 1 2 362.430 2.112 20 5 FEBDLO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H](C)O1 ZINC000184698961 327879417 /nfs/dbraw/zinc/87/94/17/327879417.db2.gz IZQPSLKSRQWOMN-NFAWXSAZSA-N 1 2 363.414 2.014 20 5 FEBDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000188919048 328118020 /nfs/dbraw/zinc/11/80/20/328118020.db2.gz BCQFENZHQOJWKA-QGZVFWFLSA-N 1 2 371.441 2.342 20 5 FEBDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000188919048 328118021 /nfs/dbraw/zinc/11/80/21/328118021.db2.gz BCQFENZHQOJWKA-QGZVFWFLSA-N 1 2 371.441 2.342 20 5 FEBDLO CCc1nnc(C2CC[NH+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)[nH]1 ZINC000190666078 328223539 /nfs/dbraw/zinc/22/35/39/328223539.db2.gz QGCUYLLHCKDQQF-UHFFFAOYSA-N 1 2 372.429 2.402 20 5 FEBDLO CCc1n[nH]c(C2CC[NH+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000190666078 328223540 /nfs/dbraw/zinc/22/35/40/328223540.db2.gz QGCUYLLHCKDQQF-UHFFFAOYSA-N 1 2 372.429 2.402 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)n1 ZINC000191478405 328267591 /nfs/dbraw/zinc/26/75/91/328267591.db2.gz CMLIKZHVLBROPL-AWEZNQCLSA-N 1 2 372.360 2.203 20 5 FEBDLO Cc1cc(C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)on1 ZINC000193647834 328387371 /nfs/dbraw/zinc/38/73/71/328387371.db2.gz WNDDTUPDFHLCSP-UHFFFAOYSA-N 1 2 361.358 2.117 20 5 FEBDLO CCc1nsc(N2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000076061564 324916488 /nfs/dbraw/zinc/91/64/88/324916488.db2.gz CHRIFAHLJWSZBD-UHFFFAOYSA-N 1 2 363.443 2.210 20 5 FEBDLO CN(CC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000079410130 325089999 /nfs/dbraw/zinc/08/99/99/325089999.db2.gz HFOGHERKWKTDIL-UHFFFAOYSA-N 1 2 369.425 2.343 20 5 FEBDLO COc1cc(C[N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000080846942 325145768 /nfs/dbraw/zinc/14/57/68/325145768.db2.gz AIQJLBZYUIKVIP-UHFFFAOYSA-N 1 2 359.382 2.404 20 5 FEBDLO COc1cc(C[N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000080846942 325145770 /nfs/dbraw/zinc/14/57/70/325145770.db2.gz AIQJLBZYUIKVIP-UHFFFAOYSA-N 1 2 359.382 2.404 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@](O)(C(F)(F)F)C3)o2)cc1 ZINC000081064045 325157963 /nfs/dbraw/zinc/15/79/63/325157963.db2.gz USDKIGLHNUJXKO-ZDUSSCGKSA-N 1 2 358.276 2.144 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@](O)(C(F)(F)F)C3)o2)cc1 ZINC000081064045 325157965 /nfs/dbraw/zinc/15/79/65/325157965.db2.gz USDKIGLHNUJXKO-ZDUSSCGKSA-N 1 2 358.276 2.144 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCCN(CC(F)F)CC3)n2)c1 ZINC000091083537 325373794 /nfs/dbraw/zinc/37/37/94/325373794.db2.gz IIAZNLJBSGRNHB-UHFFFAOYSA-N 1 2 367.356 2.418 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCCN(CC(F)F)CC3)n2)c1 ZINC000091083537 325373797 /nfs/dbraw/zinc/37/37/97/325373797.db2.gz IIAZNLJBSGRNHB-UHFFFAOYSA-N 1 2 367.356 2.418 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000118787592 326102613 /nfs/dbraw/zinc/10/26/13/326102613.db2.gz DHBOBWCXQSGOIL-UHFFFAOYSA-N 1 2 374.401 2.076 20 5 FEBDLO COCCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000120126668 326232411 /nfs/dbraw/zinc/23/24/11/326232411.db2.gz JYJPMOPLOLCSHN-RRGWEWPQSA-N 1 2 368.455 2.134 20 5 FEBDLO COCCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000120126668 326232413 /nfs/dbraw/zinc/23/24/13/326232413.db2.gz JYJPMOPLOLCSHN-RRGWEWPQSA-N 1 2 368.455 2.134 20 5 FEBDLO Cc1nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)cc[nH+]1 ZINC000128924155 326531774 /nfs/dbraw/zinc/53/17/74/326531774.db2.gz FQRXWGGUPUVMJE-UHFFFAOYSA-N 1 2 361.789 2.309 20 5 FEBDLO O=C(c1ccc(O)cc1)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000131015748 326567471 /nfs/dbraw/zinc/56/74/71/326567471.db2.gz JHCUOYXYNDWGMX-UHFFFAOYSA-N 1 2 371.393 2.137 20 5 FEBDLO CSc1ccc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000170885093 327105133 /nfs/dbraw/zinc/10/51/33/327105133.db2.gz DLXPEHBDQYMLLZ-NEPJUHHUSA-N 1 2 353.444 2.156 20 5 FEBDLO Cn1ncc2c1nc[nH+]c2N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000172787262 327218932 /nfs/dbraw/zinc/21/89/32/327218932.db2.gz DRYRAMFAQNDLTO-UHFFFAOYSA-N 1 2 354.370 2.319 20 5 FEBDLO CC[C@H](O)CN1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000173457508 327258694 /nfs/dbraw/zinc/25/86/94/327258694.db2.gz IXENDVPWOYGOMT-KRWDZBQOSA-N 1 2 374.441 2.181 20 5 FEBDLO COC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccco1 ZINC000173752268 327281345 /nfs/dbraw/zinc/28/13/45/327281345.db2.gz IJCMEDXSCZXVNK-ZDUSSCGKSA-N 1 2 356.338 2.491 20 5 FEBDLO Cc1nc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c4nonc43)CC2)oc1C ZINC000264269192 329006319 /nfs/dbraw/zinc/00/63/19/329006319.db2.gz NKMKGASZDMFFAD-UHFFFAOYSA-N 1 2 358.358 2.058 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)[nH]1 ZINC000265076647 329088470 /nfs/dbraw/zinc/08/84/70/329088470.db2.gz YQORHIJJEKVEDT-UHFFFAOYSA-N 1 2 355.354 2.472 20 5 FEBDLO Cc1ccnc(NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)c1[N+](=O)[O-] ZINC000265173976 329098808 /nfs/dbraw/zinc/09/88/08/329098808.db2.gz HOGJYVOFXFFJLE-UHFFFAOYSA-N 1 2 370.413 2.007 20 5 FEBDLO CC[C@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCS1 ZINC000266635739 329244183 /nfs/dbraw/zinc/24/41/83/329244183.db2.gz RNYKVUGPOBJFIF-JTQLQIEISA-N 1 2 353.400 2.089 20 5 FEBDLO CC[C@H]1C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCS1 ZINC000266635739 329244184 /nfs/dbraw/zinc/24/41/84/329244184.db2.gz RNYKVUGPOBJFIF-JTQLQIEISA-N 1 2 353.400 2.089 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000266775348 329258916 /nfs/dbraw/zinc/25/89/16/329258916.db2.gz YKRLZFZSWWNABS-TZMCWYRMSA-N 1 2 361.320 2.229 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000266775348 329258918 /nfs/dbraw/zinc/25/89/18/329258918.db2.gz YKRLZFZSWWNABS-TZMCWYRMSA-N 1 2 361.320 2.229 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000268065234 329381695 /nfs/dbraw/zinc/38/16/95/329381695.db2.gz PBRBXOXUNYCVGX-LBPRGKRZSA-N 1 2 350.400 2.195 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCOc2cccc(F)c2C1 ZINC000367212207 330230804 /nfs/dbraw/zinc/23/08/04/330230804.db2.gz IKJAHEONBKVMBS-ZDUSSCGKSA-N 1 2 362.357 2.368 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCOc2cccc(F)c2C1 ZINC000367212207 330230806 /nfs/dbraw/zinc/23/08/06/330230806.db2.gz IKJAHEONBKVMBS-ZDUSSCGKSA-N 1 2 362.357 2.368 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000155893368 545581871 /nfs/dbraw/zinc/58/18/71/545581871.db2.gz HPQDMUOPNRFXJJ-LBPRGKRZSA-N 1 2 374.363 2.492 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000155893368 545581874 /nfs/dbraw/zinc/58/18/74/545581874.db2.gz HPQDMUOPNRFXJJ-LBPRGKRZSA-N 1 2 374.363 2.492 20 5 FEBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H]2C1 ZINC000158349684 545851496 /nfs/dbraw/zinc/85/14/96/545851496.db2.gz AVESDGXSUCAGFO-OAGGEKHMSA-N 1 2 374.397 2.413 20 5 FEBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H]2C1 ZINC000158349684 545851504 /nfs/dbraw/zinc/85/15/04/545851504.db2.gz AVESDGXSUCAGFO-OAGGEKHMSA-N 1 2 374.397 2.413 20 5 FEBDLO CCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H]1c1[nH]cc[nH+]1 ZINC000478903729 561177783 /nfs/dbraw/zinc/17/77/83/561177783.db2.gz UUAAZLUNCIYAMJ-AWEZNQCLSA-N 1 2 362.365 2.368 20 5 FEBDLO Cc1cccc(CNC(=O)C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000171911995 546231048 /nfs/dbraw/zinc/23/10/48/546231048.db2.gz VYUGXRXFHLYUHV-UHFFFAOYSA-N 1 2 368.437 2.342 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)NCC[N@@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000176121316 546409453 /nfs/dbraw/zinc/40/94/53/546409453.db2.gz GFYJHLNRTZLMDM-AWEZNQCLSA-N 1 2 364.446 2.374 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)NCC[N@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000176121316 546409454 /nfs/dbraw/zinc/40/94/54/546409454.db2.gz GFYJHLNRTZLMDM-AWEZNQCLSA-N 1 2 364.446 2.374 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176421468 546443854 /nfs/dbraw/zinc/44/38/54/546443854.db2.gz IRZCCVDCMHQGSZ-UHFFFAOYSA-N 1 2 350.400 2.161 20 5 FEBDLO COC(=O)[C@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000177427979 546616408 /nfs/dbraw/zinc/61/64/08/546616408.db2.gz ZHCXYQFMIMCWTI-QLJPJBMISA-N 1 2 369.805 2.460 20 5 FEBDLO COC(=O)[C@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000177427979 546616416 /nfs/dbraw/zinc/61/64/16/546616416.db2.gz ZHCXYQFMIMCWTI-QLJPJBMISA-N 1 2 369.805 2.460 20 5 FEBDLO O=C(Cc1ccccc1)N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178573411 546813692 /nfs/dbraw/zinc/81/36/92/546813692.db2.gz JHINJAXYMPVXBV-IBGZPJMESA-N 1 2 369.421 2.015 20 5 FEBDLO CCOc1cc(N2CC[NH+](Cc3cc(C)n(C)n3)CC2)ccc1[N+](=O)[O-] ZINC000481783256 561242000 /nfs/dbraw/zinc/24/20/00/561242000.db2.gz SZZJEKUCGVYWFU-UHFFFAOYSA-N 1 2 359.430 2.358 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3nnc(C4CC4)n3C3CC3)C2)nc1 ZINC000181465530 547320517 /nfs/dbraw/zinc/32/05/17/547320517.db2.gz FJHZWKTXCBRPCB-ZDUSSCGKSA-N 1 2 369.429 2.480 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3nnc(C4CC4)n3C3CC3)C2)nc1 ZINC000181465530 547320519 /nfs/dbraw/zinc/32/05/19/547320519.db2.gz FJHZWKTXCBRPCB-ZDUSSCGKSA-N 1 2 369.429 2.480 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000181542598 547331032 /nfs/dbraw/zinc/33/10/32/547331032.db2.gz PKDQUVIUTWQKSF-QFBILLFUSA-N 1 2 358.394 2.408 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000181542598 547331036 /nfs/dbraw/zinc/33/10/36/547331036.db2.gz PKDQUVIUTWQKSF-QFBILLFUSA-N 1 2 358.394 2.408 20 5 FEBDLO O=C(NCC[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000181792301 547381914 /nfs/dbraw/zinc/38/19/14/547381914.db2.gz WEJGFHZETJPTEW-UHFFFAOYSA-N 1 2 362.308 2.067 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000182012357 547422247 /nfs/dbraw/zinc/42/22/47/547422247.db2.gz GWEZGSCPAKAFBT-BBRMVZONSA-N 1 2 364.423 2.470 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000182012357 547422250 /nfs/dbraw/zinc/42/22/50/547422250.db2.gz GWEZGSCPAKAFBT-BBRMVZONSA-N 1 2 364.423 2.470 20 5 FEBDLO COc1cc(C(=O)NCc2cn3ccccc3[nH+]2)cc([N+](=O)[O-])c1OC ZINC000483752356 561283438 /nfs/dbraw/zinc/28/34/38/561283438.db2.gz DXLTZYKFXHEKEL-UHFFFAOYSA-N 1 2 356.338 2.190 20 5 FEBDLO CC[C@H](C)NC(=O)CN1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182613586 547522853 /nfs/dbraw/zinc/52/28/53/547522853.db2.gz VEBRNSYCJJZGPE-JKSUJKDBSA-N 1 2 362.474 2.497 20 5 FEBDLO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nnc2ccccn21 ZINC000182718926 547539921 /nfs/dbraw/zinc/53/99/21/547539921.db2.gz AGGMYUWRNUVODJ-IUODEOHRSA-N 1 2 366.381 2.094 20 5 FEBDLO Cn1c(Cl)cnc1C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000183257003 547627652 /nfs/dbraw/zinc/62/76/52/547627652.db2.gz IYSQICNTXQIBGY-UHFFFAOYSA-N 1 2 351.794 2.442 20 5 FEBDLO Cn1c(Cl)cnc1C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000183257003 547627657 /nfs/dbraw/zinc/62/76/57/547627657.db2.gz IYSQICNTXQIBGY-UHFFFAOYSA-N 1 2 351.794 2.442 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCCn2cc[nH+]c2)c1 ZINC000183360623 547645055 /nfs/dbraw/zinc/64/50/55/547645055.db2.gz FPUHREHERQZZQI-UHFFFAOYSA-N 1 2 358.807 2.122 20 5 FEBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000184278953 547799615 /nfs/dbraw/zinc/79/96/15/547799615.db2.gz BGMFDAWNHUOLEH-UHFFFAOYSA-N 1 2 355.398 2.492 20 5 FEBDLO CC[C@@H]1C[N@H+](CCNc2ncc(Br)cc2[N+](=O)[O-])CCO1 ZINC000486013458 561335158 /nfs/dbraw/zinc/33/51/58/561335158.db2.gz YHNNBHDZLOQJBN-LLVKDONJSA-N 1 2 359.224 2.275 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCNc2ncc(Br)cc2[N+](=O)[O-])CCO1 ZINC000486013458 561335159 /nfs/dbraw/zinc/33/51/59/561335159.db2.gz YHNNBHDZLOQJBN-LLVKDONJSA-N 1 2 359.224 2.275 20 5 FEBDLO Cn1c2cc(Br)ccc2[nH+]c1Cn1cc([N+](=O)[O-])ccc1=O ZINC000486015015 561335456 /nfs/dbraw/zinc/33/54/56/561335456.db2.gz CWDQFNAPRJAPGV-UHFFFAOYSA-N 1 2 363.171 2.454 20 5 FEBDLO O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000245600276 548954785 /nfs/dbraw/zinc/95/47/85/548954785.db2.gz ISIPVONNYKKMDB-XJKSGUPXSA-N 1 2 372.425 2.009 20 5 FEBDLO O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000245600276 548954788 /nfs/dbraw/zinc/95/47/88/548954788.db2.gz ISIPVONNYKKMDB-XJKSGUPXSA-N 1 2 372.425 2.009 20 5 FEBDLO COCC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCO[C@H]1C ZINC000489468287 561412165 /nfs/dbraw/zinc/41/21/65/561412165.db2.gz XJIQYNRXOJLDHP-SMDDNHRTSA-N 1 2 371.821 2.313 20 5 FEBDLO COCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCO[C@H]1C ZINC000489468287 561412166 /nfs/dbraw/zinc/41/21/66/561412166.db2.gz XJIQYNRXOJLDHP-SMDDNHRTSA-N 1 2 371.821 2.313 20 5 FEBDLO CCCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000489963683 561423486 /nfs/dbraw/zinc/42/34/86/561423486.db2.gz FSCOHEQSQLAFKZ-CQSZACIVSA-N 1 2 356.444 2.393 20 5 FEBDLO CCCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000489963683 561423487 /nfs/dbraw/zinc/42/34/87/561423487.db2.gz FSCOHEQSQLAFKZ-CQSZACIVSA-N 1 2 356.444 2.393 20 5 FEBDLO CCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000255267205 549704560 /nfs/dbraw/zinc/70/45/60/549704560.db2.gz JUCBXZTUIBQVED-OCCSQVGLSA-N 1 2 351.403 2.431 20 5 FEBDLO CCO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000255267205 549704565 /nfs/dbraw/zinc/70/45/65/549704565.db2.gz JUCBXZTUIBQVED-OCCSQVGLSA-N 1 2 351.403 2.431 20 5 FEBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000490178540 561428309 /nfs/dbraw/zinc/42/83/09/561428309.db2.gz NZJLTKFSJRFUSW-LBPRGKRZSA-N 1 2 373.818 2.422 20 5 FEBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH]c[nH+]c1C ZINC000491161192 561443535 /nfs/dbraw/zinc/44/35/35/561443535.db2.gz JZVHRVNSWMQEQX-UHFFFAOYSA-N 1 2 350.400 2.295 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492759597 561452738 /nfs/dbraw/zinc/45/27/38/561452738.db2.gz XBUFZYGXFIDOFT-MRXNPFEDSA-N 1 2 354.370 2.071 20 5 FEBDLO Cn1cc([C@H](CO)[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000270277147 550258474 /nfs/dbraw/zinc/25/84/74/550258474.db2.gz YSFKOYCRJTWFAT-HNNXBMFYSA-N 1 2 359.411 2.275 20 5 FEBDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccccc1 ZINC000273010168 550480606 /nfs/dbraw/zinc/48/06/06/550480606.db2.gz JAVGLKKUYYJKGG-KRWDZBQOSA-N 1 2 364.423 2.034 20 5 FEBDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccccc1 ZINC000273010168 550480607 /nfs/dbraw/zinc/48/06/07/550480607.db2.gz JAVGLKKUYYJKGG-KRWDZBQOSA-N 1 2 364.423 2.034 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000277574878 550686476 /nfs/dbraw/zinc/68/64/76/550686476.db2.gz RYHSIMPSJDVNSE-OAHLLOKOSA-N 1 2 373.413 2.357 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000277574878 550686477 /nfs/dbraw/zinc/68/64/77/550686477.db2.gz RYHSIMPSJDVNSE-OAHLLOKOSA-N 1 2 373.413 2.357 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279703739 550918866 /nfs/dbraw/zinc/91/88/66/550918866.db2.gz HETYZJVNFNLEKS-UONOGXRCSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279703739 550918867 /nfs/dbraw/zinc/91/88/67/550918867.db2.gz HETYZJVNFNLEKS-UONOGXRCSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@]2(CCOC2)O1 ZINC000280242377 550974019 /nfs/dbraw/zinc/97/40/19/550974019.db2.gz AZTPPVDQLCJBNK-YVEFUNNKSA-N 1 2 360.370 2.025 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@]2(CCOC2)O1 ZINC000280242377 550974020 /nfs/dbraw/zinc/97/40/20/550974020.db2.gz AZTPPVDQLCJBNK-YVEFUNNKSA-N 1 2 360.370 2.025 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](OC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000281511751 551106903 /nfs/dbraw/zinc/10/69/03/551106903.db2.gz ABMPNNKFTVBXMR-CHWSQXEVSA-N 1 2 351.403 2.431 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](OC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000281511751 551106907 /nfs/dbraw/zinc/10/69/07/551106907.db2.gz ABMPNNKFTVBXMR-CHWSQXEVSA-N 1 2 351.403 2.431 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000281912572 551156762 /nfs/dbraw/zinc/15/67/62/551156762.db2.gz YIPXLPMJAWIPOK-BZQUYTCOSA-N 1 2 362.455 2.309 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2Cc2cc([N+](=O)[O-])ccc2OC)O1 ZINC000282452443 551231206 /nfs/dbraw/zinc/23/12/06/551231206.db2.gz LYHSPKCRLRUDSU-OFIKQIQMSA-N 1 2 364.398 2.287 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2Cc2cc([N+](=O)[O-])ccc2OC)O1 ZINC000282452443 551231209 /nfs/dbraw/zinc/23/12/09/551231209.db2.gz LYHSPKCRLRUDSU-OFIKQIQMSA-N 1 2 364.398 2.287 20 5 FEBDLO Cc1n[nH]c(C(=O)NCc2ccc3c(c2)[nH+]c(C2CC2)n3C)c1[N+](=O)[O-] ZINC000282972919 551291776 /nfs/dbraw/zinc/29/17/76/551291776.db2.gz SJTMDQQHHSCPMW-UHFFFAOYSA-N 1 2 354.370 2.320 20 5 FEBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000284530568 551570752 /nfs/dbraw/zinc/57/07/52/551570752.db2.gz PAPDLDLSZHUIDK-IRXDYDNUSA-N 1 2 361.442 2.437 20 5 FEBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000284530568 551570755 /nfs/dbraw/zinc/57/07/55/551570755.db2.gz PAPDLDLSZHUIDK-IRXDYDNUSA-N 1 2 361.442 2.437 20 5 FEBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000284676707 551605187 /nfs/dbraw/zinc/60/51/87/551605187.db2.gz GAGIQYRTCUTPRF-KBPBESRZSA-N 1 2 354.794 2.185 20 5 FEBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000284676707 551605189 /nfs/dbraw/zinc/60/51/89/551605189.db2.gz GAGIQYRTCUTPRF-KBPBESRZSA-N 1 2 354.794 2.185 20 5 FEBDLO CSc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000285592107 551779644 /nfs/dbraw/zinc/77/96/44/551779644.db2.gz BHINOFJHKNVHDN-GXTWGEPZSA-N 1 2 365.455 2.252 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000285596926 551780405 /nfs/dbraw/zinc/78/04/05/551780405.db2.gz JADSVOIVLTULRA-AAEUAGOBSA-N 1 2 352.366 2.061 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285680151 551794360 /nfs/dbraw/zinc/79/43/60/551794360.db2.gz QYKSFCOEKGNEIY-ZDUSSCGKSA-N 1 2 355.398 2.445 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285680151 551794362 /nfs/dbraw/zinc/79/43/62/551794362.db2.gz QYKSFCOEKGNEIY-ZDUSSCGKSA-N 1 2 355.398 2.445 20 5 FEBDLO CNS(=O)(=O)c1ccc(NCCCc2cccc(C)[nH+]2)c([N+](=O)[O-])c1 ZINC000286362222 551879002 /nfs/dbraw/zinc/87/90/02/551879002.db2.gz DNKXPRUYHTUFNA-UHFFFAOYSA-N 1 2 364.427 2.251 20 5 FEBDLO O=C1NC(=O)N2CC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@@H]12 ZINC000499234877 561546435 /nfs/dbraw/zinc/54/64/35/561546435.db2.gz OPFGZDWGRVZJRG-AWEZNQCLSA-N 1 2 372.406 2.059 20 5 FEBDLO O=C1NC(=O)N2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@@H]12 ZINC000499234877 561546436 /nfs/dbraw/zinc/54/64/36/561546436.db2.gz OPFGZDWGRVZJRG-AWEZNQCLSA-N 1 2 372.406 2.059 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000287405486 551999872 /nfs/dbraw/zinc/99/98/72/551999872.db2.gz DXAMFINPHSRYRQ-UHFFFAOYSA-N 1 2 357.357 2.197 20 5 FEBDLO CCC(CC)[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000499360678 561549506 /nfs/dbraw/zinc/54/95/06/561549506.db2.gz ICFXRXMSUFZJEM-QGZVFWFLSA-N 1 2 365.430 2.167 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000287564868 552019662 /nfs/dbraw/zinc/01/96/62/552019662.db2.gz WWNKUQFBDHFSIZ-WCQYABFASA-N 1 2 353.806 2.183 20 5 FEBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000499613017 561554610 /nfs/dbraw/zinc/55/46/10/561554610.db2.gz BLTYQPJHOXILFQ-UHFFFAOYSA-N 1 2 351.366 2.352 20 5 FEBDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000500470798 561574175 /nfs/dbraw/zinc/57/41/75/561574175.db2.gz SILXETLSZGJGRR-CYBMUJFWSA-N 1 2 359.386 2.135 20 5 FEBDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000500470798 561574176 /nfs/dbraw/zinc/57/41/76/561574176.db2.gz SILXETLSZGJGRR-CYBMUJFWSA-N 1 2 359.386 2.135 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289688360 552362213 /nfs/dbraw/zinc/36/22/13/552362213.db2.gz ODKDYJOSCCFPMD-DOMZBBRYSA-N 1 2 371.384 2.491 20 5 FEBDLO Cc1cc[nH+]cc1N1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000500676951 561579160 /nfs/dbraw/zinc/57/91/60/561579160.db2.gz IEYWCOXBPMOHNX-UHFFFAOYSA-N 1 2 369.425 2.083 20 5 FEBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(N[C@H](C)Cn2ccnc2)n1 ZINC000290532956 552493993 /nfs/dbraw/zinc/49/39/93/552493993.db2.gz OIXKSBHHHQROQP-ZIAGYGMSSA-N 1 2 370.417 2.384 20 5 FEBDLO C[C@H](Cn1ccnc1)Nc1ccc([N+](=O)[O-])c(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000290532956 552493996 /nfs/dbraw/zinc/49/39/96/552493996.db2.gz OIXKSBHHHQROQP-ZIAGYGMSSA-N 1 2 370.417 2.384 20 5 FEBDLO O=C(CC[N@@H+]1CCN(c2ccccc2)C(=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501037392 561588389 /nfs/dbraw/zinc/58/83/89/561588389.db2.gz RHDNBXGCXCTHLD-UHFFFAOYSA-N 1 2 368.393 2.272 20 5 FEBDLO O=C(CC[N@H+]1CCN(c2ccccc2)C(=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501037392 561588390 /nfs/dbraw/zinc/58/83/90/561588390.db2.gz RHDNBXGCXCTHLD-UHFFFAOYSA-N 1 2 368.393 2.272 20 5 FEBDLO CCC[C@@]1(CO)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000290701140 552522441 /nfs/dbraw/zinc/52/24/41/552522441.db2.gz QMSUDTVGDJAFMX-GOSISDBHSA-N 1 2 358.398 2.405 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC(F)(F)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000291602045 552641959 /nfs/dbraw/zinc/64/19/59/552641959.db2.gz BWWJPDBTLDVYLW-NWDGAFQWSA-N 1 2 357.357 2.180 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC(F)(F)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000291602045 552641961 /nfs/dbraw/zinc/64/19/61/552641961.db2.gz BWWJPDBTLDVYLW-NWDGAFQWSA-N 1 2 357.357 2.180 20 5 FEBDLO C[C@@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000292722929 552752648 /nfs/dbraw/zinc/75/26/48/552752648.db2.gz HPLLBLRZONBQBW-AOOOYVTPSA-N 1 2 363.386 2.120 20 5 FEBDLO C[C@@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000292722929 552752649 /nfs/dbraw/zinc/75/26/49/552752649.db2.gz HPLLBLRZONBQBW-AOOOYVTPSA-N 1 2 363.386 2.120 20 5 FEBDLO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000501917875 561607979 /nfs/dbraw/zinc/60/79/79/561607979.db2.gz GHCFJZJLNWYDSM-UHFFFAOYSA-N 1 2 361.423 2.380 20 5 FEBDLO CCN(C)C(=O)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000295657577 553040490 /nfs/dbraw/zinc/04/04/90/553040490.db2.gz QGUUPIHQIGGVKW-INIZCTEOSA-N 1 2 373.413 2.013 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NC2CC[NH+](C3CCC3)CC2)s1 ZINC000295895186 553072770 /nfs/dbraw/zinc/07/27/70/553072770.db2.gz DTBGWOGWYQYEOB-UHFFFAOYSA-N 1 2 359.473 2.489 20 5 FEBDLO COc1c(F)cc(S(=O)(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)cc1[N+](=O)[O-] ZINC000295996761 553086869 /nfs/dbraw/zinc/08/68/69/553086869.db2.gz LWZAIYFQKXPQOR-GFCCVEGCSA-N 1 2 372.378 2.141 20 5 FEBDLO Cc1cccc([C@@H](CNc2ncc([N+](=O)[O-])c(C)n2)[NH+]2CCOCC2)c1 ZINC000296182066 553118116 /nfs/dbraw/zinc/11/81/16/553118116.db2.gz BAPKWWZTRGOLCW-QGZVFWFLSA-N 1 2 357.414 2.487 20 5 FEBDLO CCOc1cc(N2CC[NH+](Cc3ccnc(OC)n3)CC2)ccc1[N+](=O)[O-] ZINC000296650926 553193270 /nfs/dbraw/zinc/19/32/70/553193270.db2.gz DCNLVKIKQHBFHJ-UHFFFAOYSA-N 1 2 373.413 2.114 20 5 FEBDLO Cc1cc(F)c(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000296843938 553219189 /nfs/dbraw/zinc/21/91/89/553219189.db2.gz UFGNKDZLFODDJD-VXGBXAGGSA-N 1 2 354.382 2.273 20 5 FEBDLO Cc1cc(NCCNC(=O)c2cc([N+](=O)[O-])cnc2C)nc(C(C)C)[nH+]1 ZINC000600367249 553257241 /nfs/dbraw/zinc/25/72/41/553257241.db2.gz QVSXFKZWYIWYRI-UHFFFAOYSA-N 1 2 358.402 2.362 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000297416028 553289678 /nfs/dbraw/zinc/28/96/78/553289678.db2.gz LYHOBUURZNCEJA-UHFFFAOYSA-N 1 2 366.418 2.298 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000297416028 553289680 /nfs/dbraw/zinc/28/96/80/553289680.db2.gz LYHOBUURZNCEJA-UHFFFAOYSA-N 1 2 366.418 2.298 20 5 FEBDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000503086711 561633952 /nfs/dbraw/zinc/63/39/52/561633952.db2.gz JPAGPTBRGBWZIB-CYBMUJFWSA-N 1 2 350.396 2.474 20 5 FEBDLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000503086711 561633953 /nfs/dbraw/zinc/63/39/53/561633953.db2.gz JPAGPTBRGBWZIB-CYBMUJFWSA-N 1 2 350.396 2.474 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@H]1CC(F)F ZINC000298494316 553432262 /nfs/dbraw/zinc/43/22/62/553432262.db2.gz JRROSVIMWMPIQL-GFCCVEGCSA-N 1 2 373.356 2.288 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC[C@H]1CC(F)F ZINC000298494316 553432263 /nfs/dbraw/zinc/43/22/63/553432263.db2.gz JRROSVIMWMPIQL-GFCCVEGCSA-N 1 2 373.356 2.288 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000299255855 553537908 /nfs/dbraw/zinc/53/79/08/553537908.db2.gz KXFKSOFYBYKNJJ-UHFFFAOYSA-N 1 2 370.413 2.354 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000301178139 553629076 /nfs/dbraw/zinc/62/90/76/553629076.db2.gz LYOBBIFQFJFXDH-MRXNPFEDSA-N 1 2 360.458 2.426 20 5 FEBDLO COc1cc(F)c([N+](=O)[O-])c(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)c1 ZINC000301599708 553664499 /nfs/dbraw/zinc/66/44/99/553664499.db2.gz UNWUNYMGCQWHLN-JTQLQIEISA-N 1 2 354.407 2.356 20 5 FEBDLO CCc1cc(NC[C@H]2C[NH+]3CCN2CC3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301753160 553676778 /nfs/dbraw/zinc/67/67/78/553676778.db2.gz BSAWRTVFGJTSGZ-KRWDZBQOSA-N 1 2 368.441 2.026 20 5 FEBDLO O=C(c1ccccc1)c1ccc(NC[C@@H]2C[NH+]3CCN2CC3)c([N+](=O)[O-])c1 ZINC000301777805 553678521 /nfs/dbraw/zinc/67/85/21/553678521.db2.gz LZMWFQPUWKICDR-QGZVFWFLSA-N 1 2 366.421 2.238 20 5 FEBDLO O=[N+]([O-])c1cccc2c1CCN(c1cc(N3CCC[C@H](CO)C3)[nH+]cn1)C2 ZINC000301812016 553681598 /nfs/dbraw/zinc/68/15/98/553681598.db2.gz DYBHJTIEDOQATQ-AWEZNQCLSA-N 1 2 369.425 2.156 20 5 FEBDLO O=[N+]([O-])c1cccc2c1CCN(c1cc(N3CCC[C@H](CO)C3)nc[nH+]1)C2 ZINC000301812016 553681601 /nfs/dbraw/zinc/68/16/01/553681601.db2.gz DYBHJTIEDOQATQ-AWEZNQCLSA-N 1 2 369.425 2.156 20 5 FEBDLO CS(=O)(=O)c1cccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000301889161 553688938 /nfs/dbraw/zinc/68/89/38/553688938.db2.gz NIGZMTVLAAGGLO-CYBMUJFWSA-N 1 2 363.395 2.051 20 5 FEBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000505571951 561674238 /nfs/dbraw/zinc/67/42/38/561674238.db2.gz FRBOCJRBQJRWHZ-QGZVFWFLSA-N 1 2 365.393 2.118 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000330826757 554176451 /nfs/dbraw/zinc/17/64/51/554176451.db2.gz OZNPEPCJAOXXJZ-IINYFYTJSA-N 1 2 361.320 2.311 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000330826757 554176452 /nfs/dbraw/zinc/17/64/52/554176452.db2.gz OZNPEPCJAOXXJZ-IINYFYTJSA-N 1 2 361.320 2.311 20 5 FEBDLO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000508719701 561770679 /nfs/dbraw/zinc/77/06/79/561770679.db2.gz OYYDSTXNRHFRMN-UHFFFAOYSA-N 1 2 372.381 2.443 20 5 FEBDLO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509121802 561785521 /nfs/dbraw/zinc/78/55/21/561785521.db2.gz BBYZMBGTOHMUBX-CMPLNLGQSA-N 1 2 358.341 2.416 20 5 FEBDLO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509121802 561785522 /nfs/dbraw/zinc/78/55/22/561785522.db2.gz BBYZMBGTOHMUBX-CMPLNLGQSA-N 1 2 358.341 2.416 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000331668243 554305037 /nfs/dbraw/zinc/30/50/37/554305037.db2.gz RKIQQIUSIXOHEF-ZDUSSCGKSA-N 1 2 374.445 2.115 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000363208660 555053965 /nfs/dbraw/zinc/05/39/65/555053965.db2.gz DVWUSAIOBPIKDC-KBPBESRZSA-N 1 2 373.413 2.464 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000363208660 555053967 /nfs/dbraw/zinc/05/39/67/555053967.db2.gz DVWUSAIOBPIKDC-KBPBESRZSA-N 1 2 373.413 2.464 20 5 FEBDLO COC(=O)[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1(C)C ZINC000363352163 555084016 /nfs/dbraw/zinc/08/40/16/555084016.db2.gz MCRDGGXMOKIEAI-CYBMUJFWSA-N 1 2 372.381 2.052 20 5 FEBDLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000363618750 555148859 /nfs/dbraw/zinc/14/88/59/555148859.db2.gz ZMTQGDBOCRILHG-TZMCWYRMSA-N 1 2 358.423 2.305 20 5 FEBDLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000363618750 555148861 /nfs/dbraw/zinc/14/88/61/555148861.db2.gz ZMTQGDBOCRILHG-TZMCWYRMSA-N 1 2 358.423 2.305 20 5 FEBDLO Cc1cc(C(=O)NC2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)no1 ZINC000364024192 555235696 /nfs/dbraw/zinc/23/56/96/555235696.db2.gz WIQRKTJTKVSWLH-UHFFFAOYSA-N 1 2 362.361 2.425 20 5 FEBDLO CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CC[NH+](Cc2ccncc2)CC1 ZINC000364393979 555305142 /nfs/dbraw/zinc/30/51/42/555305142.db2.gz NSYDDKADIZIHJQ-UHFFFAOYSA-N 1 2 370.409 2.432 20 5 FEBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCn2c[nH+]cc2C1 ZINC000365734865 555654635 /nfs/dbraw/zinc/65/46/35/555654635.db2.gz SXYGMOMBPHLTHY-UHFFFAOYSA-N 1 2 358.401 2.394 20 5 FEBDLO CCC(=O)N1CC[C@@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000513702958 561947269 /nfs/dbraw/zinc/94/72/69/561947269.db2.gz OXSOHFKDXZVBNH-RHSMWYFYSA-N 1 2 357.414 2.018 20 5 FEBDLO CCC(=O)c1ccc(N2CC[NH+](C3(C(N)=O)CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000366432865 555841971 /nfs/dbraw/zinc/84/19/71/555841971.db2.gz NAQNQTCVPRIWEM-UHFFFAOYSA-N 1 2 374.441 2.108 20 5 FEBDLO O=C(C1CC1)[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000514215960 561964171 /nfs/dbraw/zinc/96/41/71/561964171.db2.gz XWOWPJAJLGAYEL-QGZVFWFLSA-N 1 2 371.393 2.472 20 5 FEBDLO O=C(C1CC1)[C@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000514215960 561964172 /nfs/dbraw/zinc/96/41/72/561964172.db2.gz XWOWPJAJLGAYEL-QGZVFWFLSA-N 1 2 371.393 2.472 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000366976371 555986780 /nfs/dbraw/zinc/98/67/80/555986780.db2.gz HCYGQXJFUZMTRD-LBPRGKRZSA-N 1 2 353.382 2.368 20 5 FEBDLO O=C1COc2cc([N+](=O)[O-])c(NCc3ccnc(-n4cc[nH+]c4)c3)cc2N1 ZINC000368161346 556233490 /nfs/dbraw/zinc/23/34/90/556233490.db2.gz GECHAANKKOQBKB-UHFFFAOYSA-N 1 2 366.337 2.119 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000368456611 556315141 /nfs/dbraw/zinc/31/51/41/556315141.db2.gz BKOLZHFNPAJLGK-QWHCGFSZSA-N 1 2 370.413 2.174 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000368456611 556315142 /nfs/dbraw/zinc/31/51/42/556315142.db2.gz BKOLZHFNPAJLGK-QWHCGFSZSA-N 1 2 370.413 2.174 20 5 FEBDLO COc1cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])cc1OC ZINC000368743277 556403657 /nfs/dbraw/zinc/40/36/57/556403657.db2.gz XNDMAIZAEGFLKC-UHFFFAOYSA-N 1 2 374.397 2.117 20 5 FEBDLO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000368878309 556437067 /nfs/dbraw/zinc/43/70/67/556437067.db2.gz SXQVVPQYMHFXGH-XZJROXQQSA-N 1 2 361.398 2.080 20 5 FEBDLO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000368878309 556437072 /nfs/dbraw/zinc/43/70/72/556437072.db2.gz SXQVVPQYMHFXGH-XZJROXQQSA-N 1 2 361.398 2.080 20 5 FEBDLO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000369010667 556475287 /nfs/dbraw/zinc/47/52/87/556475287.db2.gz QYHIEYQFSFBHCG-GOEBONIOSA-N 1 2 357.414 2.306 20 5 FEBDLO C[C@H](NC(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000369010667 556475289 /nfs/dbraw/zinc/47/52/89/556475289.db2.gz QYHIEYQFSFBHCG-GOEBONIOSA-N 1 2 357.414 2.306 20 5 FEBDLO Cc1[nH+]c2n(c1CN1CCN(c3ncc([N+](=O)[O-])s3)CC1)CCCC2 ZINC000369106778 556506662 /nfs/dbraw/zinc/50/66/62/556506662.db2.gz LQPNNRQQHLDUCN-UHFFFAOYSA-N 1 2 362.459 2.215 20 5 FEBDLO Cn1c[nH+]c2c1CCN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C2 ZINC000369159703 556521006 /nfs/dbraw/zinc/52/10/06/556521006.db2.gz BHVUNRIFGVKSKL-UHFFFAOYSA-N 1 2 355.398 2.127 20 5 FEBDLO CC1(C)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@]2(CCOC2)O1 ZINC000369547726 556627586 /nfs/dbraw/zinc/62/75/86/556627586.db2.gz SZEIIZGTLDGBFM-GOSISDBHSA-N 1 2 374.397 2.415 20 5 FEBDLO CC1(C)C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@]2(CCOC2)O1 ZINC000369547726 556627589 /nfs/dbraw/zinc/62/75/89/556627589.db2.gz SZEIIZGTLDGBFM-GOSISDBHSA-N 1 2 374.397 2.415 20 5 FEBDLO CCOC(=O)c1ccnc(NCc2ccnc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000369560373 556631610 /nfs/dbraw/zinc/63/16/10/556631610.db2.gz YFSQROUFQNLHCB-UHFFFAOYSA-N 1 2 368.353 2.359 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000369735647 556681117 /nfs/dbraw/zinc/68/11/17/556681117.db2.gz HYGIEWYXHWUIBW-GFCCVEGCSA-N 1 2 372.381 2.119 20 5 FEBDLO Cc1cc(N2CCC(NC(=O)c3c(C)cccc3[N+](=O)[O-])CC2)nc[nH+]1 ZINC000369797109 556698321 /nfs/dbraw/zinc/69/83/21/556698321.db2.gz RYHJBBLVUKTGNW-UHFFFAOYSA-N 1 2 355.398 2.400 20 5 FEBDLO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000370183440 556804699 /nfs/dbraw/zinc/80/46/99/556804699.db2.gz KYWLHCZIQSGDSL-INIZCTEOSA-N 1 2 369.356 2.397 20 5 FEBDLO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(F)c2F)C[C@@H]1[NH+]1CCOCC1 ZINC000371061087 557061788 /nfs/dbraw/zinc/06/17/88/557061788.db2.gz DNNJPKLZBWMANQ-NHYWBVRUSA-N 1 2 369.368 2.056 20 5 FEBDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1n[nH]cc1[N+](=O)[O-] ZINC000371268548 557125907 /nfs/dbraw/zinc/12/59/07/557125907.db2.gz LKYVFTPQCKZJQK-UHFFFAOYSA-N 1 2 350.338 2.485 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000371319561 557144516 /nfs/dbraw/zinc/14/45/16/557144516.db2.gz SJDZMPWJQCJROG-SNVBAGLBSA-N 1 2 370.818 2.160 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CCC2 ZINC000372252929 557422073 /nfs/dbraw/zinc/42/20/73/557422073.db2.gz ZGUFFGLYNULUDR-NSHDSACASA-N 1 2 359.342 2.315 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC000372963155 557597943 /nfs/dbraw/zinc/59/79/43/557597943.db2.gz VXFGVDRWXRKRIC-CHWSQXEVSA-N 1 2 365.434 2.160 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC000372963155 557597947 /nfs/dbraw/zinc/59/79/47/557597947.db2.gz VXFGVDRWXRKRIC-CHWSQXEVSA-N 1 2 365.434 2.160 20 5 FEBDLO COc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)c([N+](=O)[O-])cc1OC(F)F ZINC000520353542 562154152 /nfs/dbraw/zinc/15/41/52/562154152.db2.gz NZZPDJWNTHXQJD-UHFFFAOYSA-N 1 2 356.285 2.200 20 5 FEBDLO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000374330300 557866831 /nfs/dbraw/zinc/86/68/31/557866831.db2.gz NQODOVOZTHWTPV-MRXNPFEDSA-N 1 2 368.393 2.145 20 5 FEBDLO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000374330300 557866832 /nfs/dbraw/zinc/86/68/32/557866832.db2.gz NQODOVOZTHWTPV-MRXNPFEDSA-N 1 2 368.393 2.145 20 5 FEBDLO COc1ccccc1[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[NH2+]1 ZINC000374813265 557934955 /nfs/dbraw/zinc/93/49/55/557934955.db2.gz ZCJLJPCZRVOWPG-OAHLLOKOSA-N 1 2 374.372 2.111 20 5 FEBDLO O=C(C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000374871188 557944285 /nfs/dbraw/zinc/94/42/85/557944285.db2.gz CGFGOVQLUOBLGK-SFHVURJKSA-N 1 2 359.357 2.266 20 5 FEBDLO O=C(C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000374871188 557944287 /nfs/dbraw/zinc/94/42/87/557944287.db2.gz CGFGOVQLUOBLGK-SFHVURJKSA-N 1 2 359.357 2.266 20 5 FEBDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375590688 558053549 /nfs/dbraw/zinc/05/35/49/558053549.db2.gz JAAMCVKXDXBVJV-MRXNPFEDSA-N 1 2 373.413 2.337 20 5 FEBDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375590688 558053551 /nfs/dbraw/zinc/05/35/51/558053551.db2.gz JAAMCVKXDXBVJV-MRXNPFEDSA-N 1 2 373.413 2.337 20 5 FEBDLO COc1cc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])cc1F ZINC000375659283 558063719 /nfs/dbraw/zinc/06/37/19/558063719.db2.gz VXNWXGCMEHZUMD-OAHLLOKOSA-N 1 2 350.350 2.416 20 5 FEBDLO C[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000521772185 562183417 /nfs/dbraw/zinc/18/34/17/562183417.db2.gz FXZVEIGKDIBCBV-VXGBXAGGSA-N 1 2 359.423 2.275 20 5 FEBDLO C[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000521772185 562183418 /nfs/dbraw/zinc/18/34/18/562183418.db2.gz FXZVEIGKDIBCBV-VXGBXAGGSA-N 1 2 359.423 2.275 20 5 FEBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)no1 ZINC000376692125 558209557 /nfs/dbraw/zinc/20/95/57/558209557.db2.gz VPVLRKAVXFDRDL-AWEZNQCLSA-N 1 2 360.418 2.481 20 5 FEBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)no1 ZINC000376692125 558209558 /nfs/dbraw/zinc/20/95/58/558209558.db2.gz VPVLRKAVXFDRDL-AWEZNQCLSA-N 1 2 360.418 2.481 20 5 FEBDLO CC1(O)C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000378002333 558460917 /nfs/dbraw/zinc/46/09/17/558460917.db2.gz OHPHHOVEXKSLQW-UUVAVEHKSA-N 1 2 356.382 2.299 20 5 FEBDLO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1F ZINC000378309126 558526062 /nfs/dbraw/zinc/52/60/62/558526062.db2.gz DHGOAYAMTSVEAG-VIFPVBQESA-N 1 2 358.333 2.442 20 5 FEBDLO CC(C)C[N@@H+]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000378358022 558538309 /nfs/dbraw/zinc/53/83/09/558538309.db2.gz DWBIUUNSUCCJKN-UHFFFAOYSA-N 1 2 361.489 2.228 20 5 FEBDLO CC(C)C[N@H+]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000378358022 558538311 /nfs/dbraw/zinc/53/83/11/558538311.db2.gz DWBIUUNSUCCJKN-UHFFFAOYSA-N 1 2 361.489 2.228 20 5 FEBDLO C[N@H+](CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000386772952 558607763 /nfs/dbraw/zinc/60/77/63/558607763.db2.gz KDSPXYBNEQYOKG-UHFFFAOYSA-N 1 2 367.402 2.144 20 5 FEBDLO C[N@@H+](CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000386772952 558607765 /nfs/dbraw/zinc/60/77/65/558607765.db2.gz KDSPXYBNEQYOKG-UHFFFAOYSA-N 1 2 367.402 2.144 20 5 FEBDLO O=C(C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1)N1CCOCC1 ZINC000413025372 559070493 /nfs/dbraw/zinc/07/04/93/559070493.db2.gz GVVSIJKWGZGKDK-UHFFFAOYSA-N 1 2 370.409 2.218 20 5 FEBDLO O=C([C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1)N1CCOCC1 ZINC000413041726 559071991 /nfs/dbraw/zinc/07/19/91/559071991.db2.gz LAUNCSRJTLYSSP-HNNXBMFYSA-N 1 2 370.409 2.218 20 5 FEBDLO Cn1cc[nH+]c1CN1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413133420 559081478 /nfs/dbraw/zinc/08/14/78/559081478.db2.gz VFAPSPOESJMDLL-UHFFFAOYSA-N 1 2 352.398 2.199 20 5 FEBDLO Cn1ccnc1C[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413133420 559081479 /nfs/dbraw/zinc/08/14/79/559081479.db2.gz VFAPSPOESJMDLL-UHFFFAOYSA-N 1 2 352.398 2.199 20 5 FEBDLO CN(C)S(=O)(=O)[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413284486 559095349 /nfs/dbraw/zinc/09/53/49/559095349.db2.gz UZFQLEBJWXBXGU-CQSZACIVSA-N 1 2 364.427 2.003 20 5 FEBDLO O=[N+]([O-])c1cccnc1N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000413342834 559100122 /nfs/dbraw/zinc/10/01/22/559100122.db2.gz ZSXNEOWRZWLARM-UHFFFAOYSA-N 1 2 369.429 2.097 20 5 FEBDLO O=[N+]([O-])c1cccnc1N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000413342834 559100124 /nfs/dbraw/zinc/10/01/24/559100124.db2.gz ZSXNEOWRZWLARM-UHFFFAOYSA-N 1 2 369.429 2.097 20 5 FEBDLO C[C@@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000413429095 559107291 /nfs/dbraw/zinc/10/72/91/559107291.db2.gz CSWPWLJTVNRPLG-CYBMUJFWSA-N 1 2 350.419 2.066 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)Cn2cc[nH+]c2)c1C ZINC000414468149 559166576 /nfs/dbraw/zinc/16/65/76/559166576.db2.gz JTHSZEYJPUWMGW-NSHDSACASA-N 1 2 352.416 2.023 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000414475993 559167507 /nfs/dbraw/zinc/16/75/07/559167507.db2.gz ZANNIHPBINDABU-JTQLQIEISA-N 1 2 372.834 2.368 20 5 FEBDLO Cc1cc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)c(C)cc1[N+](=O)[O-] ZINC000416367517 559307699 /nfs/dbraw/zinc/30/76/99/559307699.db2.gz FPBJJEBPAFMBJW-AWEZNQCLSA-N 1 2 367.427 2.386 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)c(C)cc1[N+](=O)[O-] ZINC000416384836 559309126 /nfs/dbraw/zinc/30/91/26/559309126.db2.gz OLAFSNUVBGDUGS-UHFFFAOYSA-N 1 2 364.427 2.434 20 5 FEBDLO Cc1cc(CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc(C)[nH+]1 ZINC000421575762 559545621 /nfs/dbraw/zinc/54/56/21/559545621.db2.gz KVTYOWLARSBNOF-UHFFFAOYSA-N 1 2 357.366 2.237 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H](n4ccnn4)C3)n2)c1 ZINC000425503293 559706152 /nfs/dbraw/zinc/70/61/52/559706152.db2.gz RXQGBVHSXMYKLF-CQSZACIVSA-N 1 2 355.358 2.073 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](n4ccnn4)C3)n2)c1 ZINC000425503293 559706153 /nfs/dbraw/zinc/70/61/53/559706153.db2.gz RXQGBVHSXMYKLF-CQSZACIVSA-N 1 2 355.358 2.073 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)n1 ZINC000427105920 559747894 /nfs/dbraw/zinc/74/78/94/559747894.db2.gz BGADIPOTEFONTR-CQSZACIVSA-N 1 2 372.360 2.203 20 5 FEBDLO O=C(Nc1ccnc2ccncc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000427596443 559758435 /nfs/dbraw/zinc/75/84/35/559758435.db2.gz JTLHMEFNWMERJU-UHFFFAOYSA-N 1 2 360.333 2.398 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000434367486 559898993 /nfs/dbraw/zinc/89/89/93/559898993.db2.gz QFNNJONVOJXHFW-KGLIPLIRSA-N 1 2 350.419 2.018 20 5 FEBDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000442837081 560059228 /nfs/dbraw/zinc/05/92/28/560059228.db2.gz MZUXWMXVICCWQM-GOSISDBHSA-N 1 2 363.414 2.131 20 5 FEBDLO Cc1[nH+]c[nH]c1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446238222 560142386 /nfs/dbraw/zinc/14/23/86/560142386.db2.gz SDQMVURPYLFEMN-UHFFFAOYSA-N 1 2 353.176 2.248 20 5 FEBDLO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000447393389 560161553 /nfs/dbraw/zinc/16/15/53/560161553.db2.gz JPKLYFAJSWIGFD-STQMWFEESA-N 1 2 358.822 2.094 20 5 FEBDLO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000447393389 560161554 /nfs/dbraw/zinc/16/15/54/560161554.db2.gz JPKLYFAJSWIGFD-STQMWFEESA-N 1 2 358.822 2.094 20 5 FEBDLO Nc1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c[nH+]1 ZINC000448542249 560189316 /nfs/dbraw/zinc/18/93/16/560189316.db2.gz LHOYXZFDCMCWAP-UHFFFAOYSA-N 1 2 353.285 2.495 20 5 FEBDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000449873923 560243585 /nfs/dbraw/zinc/24/35/85/560243585.db2.gz VKLDGHLHNCTWDE-GFCCVEGCSA-N 1 2 373.331 2.207 20 5 FEBDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000449873923 560243586 /nfs/dbraw/zinc/24/35/86/560243586.db2.gz VKLDGHLHNCTWDE-GFCCVEGCSA-N 1 2 373.331 2.207 20 5 FEBDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000450255349 560255918 /nfs/dbraw/zinc/25/59/18/560255918.db2.gz BFXQPZLAVUPKEB-UHFFFAOYSA-N 1 2 370.409 2.489 20 5 FEBDLO CC(C)[C@H](O)C1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450418760 560261732 /nfs/dbraw/zinc/26/17/32/560261732.db2.gz MVLZDCQAOIHPSW-INIZCTEOSA-N 1 2 358.398 2.307 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451884225 560334586 /nfs/dbraw/zinc/33/45/86/560334586.db2.gz FHGVPSCLSFZFBR-HZMBPMFUSA-N 1 2 361.320 2.087 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451884225 560334587 /nfs/dbraw/zinc/33/45/87/560334587.db2.gz FHGVPSCLSFZFBR-HZMBPMFUSA-N 1 2 361.320 2.087 20 5 FEBDLO C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2[nH+]ccn21 ZINC000451944882 560339891 /nfs/dbraw/zinc/33/98/91/560339891.db2.gz HBPBEESJWHIIPH-KWQFWETISA-N 1 2 356.791 2.429 20 5 FEBDLO CCn1cc[nH+]c1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000453856899 560408543 /nfs/dbraw/zinc/40/85/43/560408543.db2.gz OBILXJOPTVMBPL-UHFFFAOYSA-N 1 2 373.413 2.364 20 5 FEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000453987509 560419708 /nfs/dbraw/zinc/41/97/08/560419708.db2.gz YZWFASOJLZVZAK-LBPRGKRZSA-N 1 2 359.386 2.244 20 5 FEBDLO Cc1[nH+]c2cc(NC(=O)c3ccc([N+](=O)[O-])n3C)ccc2n1[C@H](C)CO ZINC000456693904 560529351 /nfs/dbraw/zinc/52/93/51/560529351.db2.gz BIEXBRYSZSAJKG-SNVBAGLBSA-N 1 2 357.370 2.397 20 5 FEBDLO Cn1c[nH+]c(CCNC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000457850027 560590350 /nfs/dbraw/zinc/59/03/50/560590350.db2.gz GGKUOMNRAWSXDY-UHFFFAOYSA-N 1 2 359.205 2.125 20 5 FEBDLO CC[C@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc([N+](=O)[O-])c1 ZINC000458494525 560627177 /nfs/dbraw/zinc/62/71/77/560627177.db2.gz HFCOXNRIECLYLH-BBWFWOEESA-N 1 2 362.430 2.208 20 5 FEBDLO CC[C@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc([N+](=O)[O-])c1 ZINC000458494525 560627178 /nfs/dbraw/zinc/62/71/78/560627178.db2.gz HFCOXNRIECLYLH-BBWFWOEESA-N 1 2 362.430 2.208 20 5 FEBDLO Cc1ccc2[nH+]c(CNC(=O)CN(C)c3ccccc3[N+](=O)[O-])cn2c1 ZINC000460330831 560741638 /nfs/dbraw/zinc/74/16/38/560741638.db2.gz UKNJLFCVBUCEAH-UHFFFAOYSA-N 1 2 353.382 2.304 20 5 FEBDLO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCn2c[nH+]cc2C1 ZINC000461199367 560763677 /nfs/dbraw/zinc/76/36/77/560763677.db2.gz UCTFLBAYNLCRIX-UHFFFAOYSA-N 1 2 351.160 2.210 20 5 FEBDLO COc1ccc(-c2ccc(C[N@H+]3C[C@H](CO)O[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000470134391 560975116 /nfs/dbraw/zinc/97/51/16/560975116.db2.gz PYRYEIKEGISNNK-SWLSCSKDSA-N 1 2 362.382 2.445 20 5 FEBDLO COc1ccc(-c2ccc(C[N@@H+]3C[C@H](CO)O[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000470134391 560975117 /nfs/dbraw/zinc/97/51/17/560975117.db2.gz PYRYEIKEGISNNK-SWLSCSKDSA-N 1 2 362.382 2.445 20 5 FEBDLO CC(C)(C)c1ccc(C(=O)NCC2([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000470157611 560975505 /nfs/dbraw/zinc/97/55/05/560975505.db2.gz NVFLTIRLZZTRAI-UHFFFAOYSA-N 1 2 361.442 2.487 20 5 FEBDLO CN(C(=O)C[NH+]1CCC(Oc2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000471150939 560999342 /nfs/dbraw/zinc/99/93/42/560999342.db2.gz IJGRVJOLBITFES-UHFFFAOYSA-N 1 2 370.409 2.496 20 5 FEBDLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000471707410 561010634 /nfs/dbraw/zinc/01/06/34/561010634.db2.gz VDHPQRAUXCYMQO-UHFFFAOYSA-N 1 2 367.793 2.024 20 5 FEBDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000471707410 561010635 /nfs/dbraw/zinc/01/06/35/561010635.db2.gz VDHPQRAUXCYMQO-UHFFFAOYSA-N 1 2 367.793 2.024 20 5 FEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000472481357 561027441 /nfs/dbraw/zinc/02/74/41/561027441.db2.gz AIWDYTRMVYIRMX-UHFFFAOYSA-N 1 2 359.430 2.438 20 5 FEBDLO CCc1cnc(C[NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)s1 ZINC000474345139 561071734 /nfs/dbraw/zinc/07/17/34/561071734.db2.gz FTXQHQSPNUXMNF-UHFFFAOYSA-N 1 2 365.411 2.455 20 5 FEBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2cc([N+](=O)[O-])nn2C)c(C)c1 ZINC000476647403 561125104 /nfs/dbraw/zinc/12/51/04/561125104.db2.gz ZEOAEFQVSOLZLK-HNNXBMFYSA-N 1 2 368.397 2.313 20 5 FEBDLO CNc1ccc(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)cc1[N+](=O)[O-] ZINC000530779429 562423902 /nfs/dbraw/zinc/42/39/02/562423902.db2.gz LXOPYPLUKIWUSA-UHFFFAOYSA-N 1 2 370.409 2.300 20 5 FEBDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1F ZINC000532058672 562465643 /nfs/dbraw/zinc/46/56/43/562465643.db2.gz VMVLWQCJKGBTJV-UHFFFAOYSA-N 1 2 374.372 2.238 20 5 FEBDLO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000532433090 562477912 /nfs/dbraw/zinc/47/79/12/562477912.db2.gz SZGKWOYJXTUTKH-JKSUJKDBSA-N 1 2 351.378 2.107 20 5 FEBDLO O=C1[C@H](N2CC[NH+](Cc3ccco3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000533228840 562502235 /nfs/dbraw/zinc/50/22/35/562502235.db2.gz ILEIPQMTHHTPHR-GOSISDBHSA-N 1 2 370.409 2.111 20 5 FEBDLO CC(C)(C(N)=O)[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000534879047 562544476 /nfs/dbraw/zinc/54/44/76/562544476.db2.gz RHUWKOCSHQTKEV-UHFFFAOYSA-N 1 2 369.425 2.043 20 5 FEBDLO Cn1c2ccccc2[nH+]c1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000535893113 562570379 /nfs/dbraw/zinc/57/03/79/562570379.db2.gz SIKPHJWMWSUXDS-UHFFFAOYSA-N 1 2 351.322 2.347 20 5 FEBDLO Cc1cc[nH+]cc1N1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000536307553 562574083 /nfs/dbraw/zinc/57/40/83/562574083.db2.gz OPJZZXBOMRUBFE-HNNXBMFYSA-N 1 2 369.425 2.447 20 5 FEBDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000541051079 562601503 /nfs/dbraw/zinc/60/15/03/562601503.db2.gz IFBYMSAPDZOSDP-MRXNPFEDSA-N 1 2 360.366 2.293 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](CCc2cnccn2)CC1 ZINC000602742255 568021256 /nfs/dbraw/zinc/02/12/56/568021256.db2.gz ALFFRSRWLWAGGM-UHFFFAOYSA-N 1 2 371.441 2.144 20 5 FEBDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602782031 568039146 /nfs/dbraw/zinc/03/91/46/568039146.db2.gz ODRFSPQLCVHSAN-MRXNPFEDSA-N 1 2 360.414 2.206 20 5 FEBDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602782031 568039147 /nfs/dbraw/zinc/03/91/47/568039147.db2.gz ODRFSPQLCVHSAN-MRXNPFEDSA-N 1 2 360.414 2.206 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000568710098 568136878 /nfs/dbraw/zinc/13/68/78/568136878.db2.gz NTZLUQVHMBZHTL-CQSZACIVSA-N 1 2 356.382 2.426 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000568710098 568136879 /nfs/dbraw/zinc/13/68/79/568136879.db2.gz NTZLUQVHMBZHTL-CQSZACIVSA-N 1 2 356.382 2.426 20 5 FEBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1Oc1cccc(-n2cc[nH+]c2)c1 ZINC000823630017 606712739 /nfs/dbraw/zinc/71/27/39/606712739.db2.gz PSJJVDDSOXWFBL-UHFFFAOYSA-N 1 2 350.298 2.148 20 5 FEBDLO C[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000820728056 607047325 /nfs/dbraw/zinc/04/73/25/607047325.db2.gz RVNYJGDZVMNKPY-IAQYHMDHSA-N 1 2 354.374 2.059 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826498362 608069333 /nfs/dbraw/zinc/06/93/33/608069333.db2.gz RKVRFCMUFKZOKS-KRWDZBQOSA-N 1 2 366.381 2.348 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826498362 608069334 /nfs/dbraw/zinc/06/93/34/608069334.db2.gz RKVRFCMUFKZOKS-KRWDZBQOSA-N 1 2 366.381 2.348 20 5 FEBDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c(Br)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000814173866 674824377 /nfs/dbraw/zinc/82/43/77/674824377.db2.gz ZIBIDPGAGDSHKZ-WOFXILAISA-N 1 2 355.188 2.208 20 5 FEBDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3c(Br)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000814173866 674824383 /nfs/dbraw/zinc/82/43/83/674824383.db2.gz ZIBIDPGAGDSHKZ-WOFXILAISA-N 1 2 355.188 2.208 20 5 FEBDLO CC(C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)[NH+]1CCOCC1 ZINC000816839620 675082360 /nfs/dbraw/zinc/08/23/60/675082360.db2.gz LFDHFRSMGUIWDU-CQSZACIVSA-N 1 2 355.822 2.335 20 5 FEBDLO Cc1nn(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000112694958 670875005 /nfs/dbraw/zinc/87/50/05/670875005.db2.gz ALRMQXBAEALBJW-CQSZACIVSA-N 1 2 351.451 2.240 20 5 FEBDLO Cc1nn(C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000112694958 670875009 /nfs/dbraw/zinc/87/50/09/670875009.db2.gz ALRMQXBAEALBJW-CQSZACIVSA-N 1 2 351.451 2.240 20 5 FEBDLO Cc1cc(F)cc(C(=O)N2CC[NH+](CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000151131480 672157539 /nfs/dbraw/zinc/15/75/39/672157539.db2.gz PFNIFTRPWDPZAI-UHFFFAOYSA-N 1 2 353.394 2.225 20 5 FEBDLO O=C(NCCn1cc[nH+]c1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155209130 672229584 /nfs/dbraw/zinc/22/95/84/672229584.db2.gz IFYQFVNXEGPVDX-UHFFFAOYSA-N 1 2 354.164 2.376 20 5 FEBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccc([N+](=O)[O-])cc1Br ZINC000587066452 672440536 /nfs/dbraw/zinc/44/05/36/672440536.db2.gz QXMQYMKHUNPQRP-SECBINFHSA-N 1 2 365.187 2.299 20 5 FEBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCCN(CC(F)F)CC1)OCCO2 ZINC000589199615 672512905 /nfs/dbraw/zinc/51/29/05/672512905.db2.gz CQBXDBOXAUYUBE-UHFFFAOYSA-N 1 2 357.357 2.139 20 5 FEBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCCN(CC(F)F)CC1)OCCO2 ZINC000589199615 672512911 /nfs/dbraw/zinc/51/29/11/672512911.db2.gz CQBXDBOXAUYUBE-UHFFFAOYSA-N 1 2 357.357 2.139 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC000592059330 672744687 /nfs/dbraw/zinc/74/46/87/672744687.db2.gz HRSJRMYBUSTTHI-ZDUSSCGKSA-N 1 2 353.444 2.231 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000612625496 676090947 /nfs/dbraw/zinc/09/09/47/676090947.db2.gz GFSNNEHNRDIQFX-CQSZACIVSA-N 1 2 364.427 2.434 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000728591415 673205333 /nfs/dbraw/zinc/20/53/33/673205333.db2.gz ZKWNABKKBLNNEL-GFCCVEGCSA-N 1 2 370.818 2.471 20 5 FEBDLO Cc1cc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c([N+](=O)[O-])s1 ZINC000596070415 673355798 /nfs/dbraw/zinc/35/57/98/673355798.db2.gz BOODVCMCZOGXRB-UHFFFAOYSA-N 1 2 352.460 2.099 20 5 FEBDLO Cc1cc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c([N+](=O)[O-])s1 ZINC000596070415 673355801 /nfs/dbraw/zinc/35/58/01/673355801.db2.gz BOODVCMCZOGXRB-UHFFFAOYSA-N 1 2 352.460 2.099 20 5 FEBDLO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCOCC3)C2)c(C(F)(F)F)c1 ZINC000596247153 673371457 /nfs/dbraw/zinc/37/14/57/673371457.db2.gz LLZIEOIPKYRJMG-NSHDSACASA-N 1 2 360.336 2.310 20 5 FEBDLO CN(CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(F)F ZINC000599095061 673632703 /nfs/dbraw/zinc/63/27/03/673632703.db2.gz PMBHHTNRJDDRAM-HNNXBMFYSA-N 1 2 353.373 2.204 20 5 FEBDLO C[C@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000741144947 673672583 /nfs/dbraw/zinc/67/25/83/673672583.db2.gz HHSHFMQEFQBXQL-GXFFZTMASA-N 1 2 353.350 2.088 20 5 FEBDLO C[C@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000741144947 673672588 /nfs/dbraw/zinc/67/25/88/673672588.db2.gz HHSHFMQEFQBXQL-GXFFZTMASA-N 1 2 353.350 2.088 20 5 FEBDLO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602683877 673909547 /nfs/dbraw/zinc/90/95/47/673909547.db2.gz WVHDTQGDIIJHCN-GZMMTYOYSA-N 1 2 365.249 2.391 20 5 FEBDLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602683877 673909549 /nfs/dbraw/zinc/90/95/49/673909549.db2.gz WVHDTQGDIIJHCN-GZMMTYOYSA-N 1 2 365.249 2.391 20 5 FEBDLO COC1CC[NH+](Cc2cn(Cc3ccc(Cl)cc3[N+](=O)[O-])nn2)CC1 ZINC000603217538 673918960 /nfs/dbraw/zinc/91/89/60/673918960.db2.gz JUBFVKQWUBUOER-UHFFFAOYSA-N 1 2 365.821 2.499 20 5 FEBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000830162142 677028224 /nfs/dbraw/zinc/02/82/24/677028224.db2.gz GCHOBHZGSFLASR-ZDUSSCGKSA-N 1 2 369.849 2.408 20 5 FEBDLO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839679058 680771410 /nfs/dbraw/zinc/77/14/10/680771410.db2.gz CGQFHVYUSLRRNM-UMVBOHGHSA-N 1 2 355.797 2.225 20 5 FEBDLO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839679058 680771412 /nfs/dbraw/zinc/77/14/12/680771412.db2.gz CGQFHVYUSLRRNM-UMVBOHGHSA-N 1 2 355.797 2.225 20 5 FEBDLO O=[N+]([O-])c1nn(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1Br ZINC000840118893 680800007 /nfs/dbraw/zinc/80/00/07/680800007.db2.gz FMOBOFLMOOKHMA-YUSALJHKSA-N 1 2 359.224 2.137 20 5 FEBDLO O=[N+]([O-])c1nn(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1Br ZINC000840118893 680800008 /nfs/dbraw/zinc/80/00/08/680800008.db2.gz FMOBOFLMOOKHMA-YUSALJHKSA-N 1 2 359.224 2.137 20 5 FEBDLO CO[C@@H]1C[C@@H]([N@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)C12CCC2 ZINC000840139622 680801674 /nfs/dbraw/zinc/80/16/74/680801674.db2.gz KCRIONFEXHYYSK-GHMZBOCLSA-N 1 2 359.224 2.401 20 5 FEBDLO CO[C@@H]1C[C@@H]([N@@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)C12CCC2 ZINC000840139622 680801676 /nfs/dbraw/zinc/80/16/76/680801676.db2.gz KCRIONFEXHYYSK-GHMZBOCLSA-N 1 2 359.224 2.401 20 5 FEBDLO CO[C@H]1C[C@H]([N@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)C12CCC2 ZINC000840139624 680801732 /nfs/dbraw/zinc/80/17/32/680801732.db2.gz KCRIONFEXHYYSK-QWRGUYRKSA-N 1 2 359.224 2.401 20 5 FEBDLO CO[C@H]1C[C@H]([N@@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)C12CCC2 ZINC000840139624 680801733 /nfs/dbraw/zinc/80/17/33/680801733.db2.gz KCRIONFEXHYYSK-QWRGUYRKSA-N 1 2 359.224 2.401 20 5 FEBDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000832414799 680131529 /nfs/dbraw/zinc/13/15/29/680131529.db2.gz LFZUQQGHAVQQBI-LBPRGKRZSA-N 1 2 361.851 2.353 20 5 FEBDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000832414799 680131533 /nfs/dbraw/zinc/13/15/33/680131533.db2.gz LFZUQQGHAVQQBI-LBPRGKRZSA-N 1 2 361.851 2.353 20 5 FEBDLO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(Cl)c1 ZINC000981137119 680216912 /nfs/dbraw/zinc/21/69/12/680216912.db2.gz NMRNROHCEOQFEQ-GDBMZVCRSA-N 1 2 351.834 2.348 20 5 FEBDLO Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(Cl)c1 ZINC000981137119 680216917 /nfs/dbraw/zinc/21/69/17/680216917.db2.gz NMRNROHCEOQFEQ-GDBMZVCRSA-N 1 2 351.834 2.348 20 5 FEBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000836201556 680434639 /nfs/dbraw/zinc/43/46/39/680434639.db2.gz FAXTYPFTHXIKKY-TXEJJXNPSA-N 1 2 354.794 2.233 20 5 FEBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000836201556 680434642 /nfs/dbraw/zinc/43/46/42/680434642.db2.gz FAXTYPFTHXIKKY-TXEJJXNPSA-N 1 2 354.794 2.233 20 5 FEBDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756942193 680506339 /nfs/dbraw/zinc/50/63/39/680506339.db2.gz ALTGMVMWUFOANN-UHFFFAOYSA-N 1 2 370.837 2.158 20 5 FEBDLO CC1(C)COCC[N@H+]1CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756942193 680506340 /nfs/dbraw/zinc/50/63/40/680506340.db2.gz ALTGMVMWUFOANN-UHFFFAOYSA-N 1 2 370.837 2.158 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000770717342 681025392 /nfs/dbraw/zinc/02/53/92/681025392.db2.gz QKMZHWADWGIAJK-MNOVXSKESA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000770717342 681025393 /nfs/dbraw/zinc/02/53/93/681025393.db2.gz QKMZHWADWGIAJK-MNOVXSKESA-N 1 2 361.851 2.270 20 5 FEBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847181754 681341456 /nfs/dbraw/zinc/34/14/56/681341456.db2.gz LCXHJNOISCEWIY-SDDRHHMPSA-N 1 2 355.822 2.476 20 5 FEBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847181754 681341459 /nfs/dbraw/zinc/34/14/59/681341459.db2.gz LCXHJNOISCEWIY-SDDRHHMPSA-N 1 2 355.822 2.476 20 5 FEBDLO C[N@H+](CCc1nccs1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483096 681558635 /nfs/dbraw/zinc/55/86/35/681558635.db2.gz YIVLNMRYWXRHLI-HNNXBMFYSA-N 1 2 360.439 2.499 20 5 FEBDLO C[N@@H+](CCc1nccs1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483096 681558644 /nfs/dbraw/zinc/55/86/44/681558644.db2.gz YIVLNMRYWXRHLI-HNNXBMFYSA-N 1 2 360.439 2.499 20 5 FEBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000914239577 685500384 /nfs/dbraw/zinc/50/03/84/685500384.db2.gz IKWHYKGNHXLORS-DZGCQCFKSA-N 1 2 350.419 2.066 20 5 FEBDLO Cc1cc(OCC(=O)NCc2nc(C[NH+](C)C)cs2)ccc1[N+](=O)[O-] ZINC000927765252 683307368 /nfs/dbraw/zinc/30/73/68/683307368.db2.gz NFPCVMRVCHJIET-UHFFFAOYSA-N 1 2 364.427 2.117 20 5 FEBDLO CCOc1ccc(C(=O)NCc2nc(C[NH+](C)C)cs2)cc1[N+](=O)[O-] ZINC000927772897 683310851 /nfs/dbraw/zinc/31/08/51/683310851.db2.gz BUVWZWWENWXCHT-UHFFFAOYSA-N 1 2 364.427 2.442 20 5 FEBDLO COC1(OC)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1O ZINC000931636359 684316755 /nfs/dbraw/zinc/31/67/55/684316755.db2.gz VQFKITOMLAQNIS-ZDUSSCGKSA-N 1 2 364.320 2.169 20 5 FEBDLO COC1(OC)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1O ZINC000931636359 684316756 /nfs/dbraw/zinc/31/67/56/684316756.db2.gz VQFKITOMLAQNIS-ZDUSSCGKSA-N 1 2 364.320 2.169 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000876406264 686199393 /nfs/dbraw/zinc/19/93/93/686199393.db2.gz KVNFUDDOHNGEFP-HZSPNIEDSA-N 1 2 350.419 2.064 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000876406264 686199396 /nfs/dbraw/zinc/19/93/96/686199396.db2.gz KVNFUDDOHNGEFP-HZSPNIEDSA-N 1 2 350.419 2.064 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCC3(CCCCO3)CC2)cc1 ZINC000880457432 687051250 /nfs/dbraw/zinc/05/12/50/687051250.db2.gz IYXYQOXTTFMSRL-UHFFFAOYSA-N 1 2 368.455 2.404 20 5 FEBDLO COc1c(O)ccc(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1[N+](=O)[O-] ZINC000894182438 689482087 /nfs/dbraw/zinc/48/20/87/689482087.db2.gz OCKACEVEMUHZKT-KRWDZBQOSA-N 1 2 352.387 2.079 20 5 FEBDLO COc1c(O)ccc(C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1[N+](=O)[O-] ZINC000894182438 689482089 /nfs/dbraw/zinc/48/20/89/689482089.db2.gz OCKACEVEMUHZKT-KRWDZBQOSA-N 1 2 352.387 2.079 20 5 FEBDLO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+](CCF)C2)cc1SC ZINC000898492288 690193397 /nfs/dbraw/zinc/19/33/97/690193397.db2.gz SMZAZZNSTAUDQE-NSHDSACASA-N 1 2 371.434 2.489 20 5 FEBDLO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)cc1SC ZINC000898492288 690193401 /nfs/dbraw/zinc/19/34/01/690193401.db2.gz SMZAZZNSTAUDQE-NSHDSACASA-N 1 2 371.434 2.489 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000549535446 674047179 /nfs/dbraw/zinc/04/71/79/674047179.db2.gz DXTORHOCGGDBOI-AOOOYVTPSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000549535446 674047180 /nfs/dbraw/zinc/04/71/80/674047180.db2.gz DXTORHOCGGDBOI-AOOOYVTPSA-N 1 2 361.851 2.270 20 5 FEBDLO COc1ccccc1C[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000076227644 542247997 /nfs/dbraw/zinc/24/79/97/542247997.db2.gz PHINMJARJQODMZ-UHFFFAOYSA-N 1 2 369.421 2.490 20 5 FEBDLO NC(=O)c1ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000015171209 539613697 /nfs/dbraw/zinc/61/36/97/539613697.db2.gz MFDWVBXSATZSFB-MRXNPFEDSA-N 1 2 370.409 2.007 20 5 FEBDLO NC(=O)c1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000015171209 539613700 /nfs/dbraw/zinc/61/37/00/539613700.db2.gz MFDWVBXSATZSFB-MRXNPFEDSA-N 1 2 370.409 2.007 20 5 FEBDLO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016564546 539633533 /nfs/dbraw/zinc/63/35/33/539633533.db2.gz COJLSFQZVMFKQP-MRXNPFEDSA-N 1 2 368.437 2.422 20 5 FEBDLO CS(=O)(=O)c1ccc(NCCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000022874889 539701845 /nfs/dbraw/zinc/70/18/45/539701845.db2.gz IKTQAWMKUQLMHO-UHFFFAOYSA-N 1 2 360.395 2.301 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000022970355 539703477 /nfs/dbraw/zinc/70/34/77/539703477.db2.gz AMFCKBDCYYPENO-HNNXBMFYSA-N 1 2 365.430 2.080 20 5 FEBDLO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000026320805 539783138 /nfs/dbraw/zinc/78/31/38/539783138.db2.gz RPYCBMKWBXROOQ-UHFFFAOYSA-N 1 2 357.366 2.112 20 5 FEBDLO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000026320805 539783140 /nfs/dbraw/zinc/78/31/40/539783140.db2.gz RPYCBMKWBXROOQ-UHFFFAOYSA-N 1 2 357.366 2.112 20 5 FEBDLO Cc1ccccc1NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026481561 539787307 /nfs/dbraw/zinc/78/73/07/539787307.db2.gz QKYLMSGNOYXOCN-UHFFFAOYSA-N 1 2 355.398 2.059 20 5 FEBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000029393716 539852196 /nfs/dbraw/zinc/85/21/96/539852196.db2.gz RYWRTTUAYORGCQ-UHFFFAOYSA-N 1 2 362.411 2.069 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000043149363 540091999 /nfs/dbraw/zinc/09/19/99/540091999.db2.gz VKTNYZJRKGBKQT-UHFFFAOYSA-N 1 2 371.397 2.457 20 5 FEBDLO Cc1c(NC(=O)NCc2ccc[nH+]c2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000043347110 540098216 /nfs/dbraw/zinc/09/82/16/540098216.db2.gz HSNOSMWQNSUIST-UHFFFAOYSA-N 1 2 371.397 2.457 20 5 FEBDLO CCN(CC)C(=O)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046037165 540239303 /nfs/dbraw/zinc/23/93/03/540239303.db2.gz CZRIMNRNBLKJTR-UHFFFAOYSA-N 1 2 350.419 2.053 20 5 FEBDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])o3)c[nH+]2)C[C@H](C)O1 ZINC000046651165 540265678 /nfs/dbraw/zinc/26/56/78/540265678.db2.gz MVDVHKOKAWYBIO-TXEJJXNPSA-N 1 2 360.370 2.126 20 5 FEBDLO C[C@H]1CN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])o3)c[nH+]2)C[C@H](C)O1 ZINC000046651167 540265753 /nfs/dbraw/zinc/26/57/53/540265753.db2.gz MVDVHKOKAWYBIO-RYUDHWBXSA-N 1 2 360.370 2.126 20 5 FEBDLO C[C@H](C(=O)NCc1cccs1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744167 540326772 /nfs/dbraw/zinc/32/67/72/540326772.db2.gz MTDGTTDFDFFNIR-CQSZACIVSA-N 1 2 374.466 2.483 20 5 FEBDLO O=C(NCc1cn2ccccc2[nH+]1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000048940119 540377462 /nfs/dbraw/zinc/37/74/62/540377462.db2.gz ZZNUMASURGWTJC-UHFFFAOYSA-N 1 2 373.756 2.151 20 5 FEBDLO CCCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000051063227 540422061 /nfs/dbraw/zinc/42/20/61/540422061.db2.gz MBSIVOQUKNKXJO-CQSZACIVSA-N 1 2 362.430 2.162 20 5 FEBDLO CCCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000051063227 540422065 /nfs/dbraw/zinc/42/20/65/540422065.db2.gz MBSIVOQUKNKXJO-CQSZACIVSA-N 1 2 362.430 2.162 20 5 FEBDLO Cc1c(C[NH+]2CCN(CC(=O)N3CCCC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000051210588 540426732 /nfs/dbraw/zinc/42/67/32/540426732.db2.gz IJQGZSASARPCHJ-MRXNPFEDSA-N 1 2 374.485 2.422 20 5 FEBDLO Cc1c(CN2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000051210588 540426735 /nfs/dbraw/zinc/42/67/35/540426735.db2.gz IJQGZSASARPCHJ-MRXNPFEDSA-N 1 2 374.485 2.422 20 5 FEBDLO Cc1noc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000052861480 540494899 /nfs/dbraw/zinc/49/48/99/540494899.db2.gz RRHQQMJQJNJOBM-CYBMUJFWSA-N 1 2 359.386 2.413 20 5 FEBDLO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000052861480 540494904 /nfs/dbraw/zinc/49/49/04/540494904.db2.gz RRHQQMJQJNJOBM-CYBMUJFWSA-N 1 2 359.386 2.413 20 5 FEBDLO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000052987640 540504742 /nfs/dbraw/zinc/50/47/42/540504742.db2.gz PEGCLUSUMAVNJZ-KRWDZBQOSA-N 1 2 355.394 2.398 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000053069932 540509542 /nfs/dbraw/zinc/50/95/42/540509542.db2.gz HQGZZNFOMCYTJM-UHFFFAOYSA-N 1 2 365.393 2.201 20 5 FEBDLO COC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000066836030 541377124 /nfs/dbraw/zinc/37/71/24/541377124.db2.gz YMMJBVIDCUZQJZ-JTQLQIEISA-N 1 2 355.778 2.072 20 5 FEBDLO COC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000066836030 541377129 /nfs/dbraw/zinc/37/71/29/541377129.db2.gz YMMJBVIDCUZQJZ-JTQLQIEISA-N 1 2 355.778 2.072 20 5 FEBDLO COC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000066835012 541377373 /nfs/dbraw/zinc/37/73/73/541377373.db2.gz GRBQAGKBRQWKTJ-MNOVXSKESA-N 1 2 369.805 2.460 20 5 FEBDLO COC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000066835012 541377376 /nfs/dbraw/zinc/37/73/76/541377376.db2.gz GRBQAGKBRQWKTJ-MNOVXSKESA-N 1 2 369.805 2.460 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000067118180 541419666 /nfs/dbraw/zinc/41/96/66/541419666.db2.gz AQXJPJSLIBXIMZ-OAHLLOKOSA-N 1 2 365.455 2.143 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000067118180 541419669 /nfs/dbraw/zinc/41/96/69/541419669.db2.gz AQXJPJSLIBXIMZ-OAHLLOKOSA-N 1 2 365.455 2.143 20 5 FEBDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000068345179 541579678 /nfs/dbraw/zinc/57/96/78/541579678.db2.gz UEOSLOKXPACBLA-HNNXBMFYSA-N 1 2 360.458 2.160 20 5 FEBDLO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000068345179 541579680 /nfs/dbraw/zinc/57/96/80/541579680.db2.gz UEOSLOKXPACBLA-HNNXBMFYSA-N 1 2 360.458 2.160 20 5 FEBDLO O=C(NCc1ccccc1[N+](=O)[O-])c1cccc(C[NH+]2CCOCC2)c1 ZINC000068549219 541607500 /nfs/dbraw/zinc/60/75/00/541607500.db2.gz XNHKGWFIEFLMIF-UHFFFAOYSA-N 1 2 355.394 2.357 20 5 FEBDLO CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000072724815 541859199 /nfs/dbraw/zinc/85/91/99/541859199.db2.gz UDEJAQGMEYLOFD-LBPRGKRZSA-N 1 2 351.403 2.167 20 5 FEBDLO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000073758060 541996610 /nfs/dbraw/zinc/99/66/10/541996610.db2.gz BYTBGVSLTCIQKD-WMLDXEAASA-N 1 2 362.430 2.162 20 5 FEBDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000057364206 132303713 /nfs/dbraw/zinc/30/37/13/132303713.db2.gz QYWANNWBYLKBSH-HZPDHXFCSA-N 1 2 360.458 2.221 20 5 FEBDLO CCc1nn(C)c(N2CC[NH+](Cc3ccccc3OC)CC2)c1[N+](=O)[O-] ZINC000094154953 542954548 /nfs/dbraw/zinc/95/45/48/542954548.db2.gz DPMHJXFWTCNRQS-UHFFFAOYSA-N 1 2 359.430 2.222 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000109758091 543337586 /nfs/dbraw/zinc/33/75/86/543337586.db2.gz UIOLNSOVGQIHKV-OCCSQVGLSA-N 1 2 361.320 2.229 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000109758091 543337588 /nfs/dbraw/zinc/33/75/88/543337588.db2.gz UIOLNSOVGQIHKV-OCCSQVGLSA-N 1 2 361.320 2.229 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000109758102 543337635 /nfs/dbraw/zinc/33/76/35/543337635.db2.gz JQXQHUBEMFBCRM-FZMZJTMJSA-N 1 2 361.320 2.229 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000109758102 543337637 /nfs/dbraw/zinc/33/76/37/543337637.db2.gz JQXQHUBEMFBCRM-FZMZJTMJSA-N 1 2 361.320 2.229 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000115638581 543579306 /nfs/dbraw/zinc/57/93/06/543579306.db2.gz SKHBVGZJOYVQPK-HKUYNNGSSA-N 1 2 358.394 2.408 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000115638581 543579310 /nfs/dbraw/zinc/57/93/10/543579310.db2.gz SKHBVGZJOYVQPK-HKUYNNGSSA-N 1 2 358.394 2.408 20 5 FEBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000126059507 543915591 /nfs/dbraw/zinc/91/55/91/543915591.db2.gz GYLAYPDWZMRXDW-UHFFFAOYSA-N 1 2 368.397 2.088 20 5 FEBDLO Cc1cccn2cc(CNS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)[nH+]c12 ZINC000128777385 544072296 /nfs/dbraw/zinc/07/22/96/544072296.db2.gz XBEMZUINHXXGPX-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO O=C(NCCn1cc([N+](=O)[O-])cn1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000129925208 544132147 /nfs/dbraw/zinc/13/21/47/544132147.db2.gz OCGDZEKKHKCCQF-UHFFFAOYSA-N 1 2 353.338 2.409 20 5 FEBDLO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130429378 544150480 /nfs/dbraw/zinc/15/04/80/544150480.db2.gz VTCGCVQNNDYYLL-AWEZNQCLSA-N 1 2 356.382 2.154 20 5 FEBDLO CCOC(=O)c1cc(C(=O)N(C)CCCn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000154783285 544948788 /nfs/dbraw/zinc/94/87/88/544948788.db2.gz ABAPEIQWVDHPEF-UHFFFAOYSA-N 1 2 360.370 2.130 20 5 FEBDLO CC[C@H]1C[N@H+](CCNc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CCO1 ZINC000553230321 674246794 /nfs/dbraw/zinc/24/67/94/674246794.db2.gz WSZOCWOBQUNCGB-ZDUSSCGKSA-N 1 2 351.403 2.213 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CCO1 ZINC000553230321 674246795 /nfs/dbraw/zinc/24/67/95/674246795.db2.gz WSZOCWOBQUNCGB-ZDUSSCGKSA-N 1 2 351.403 2.213 20 5 FEBDLO COc1cc(C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000187447536 328026191 /nfs/dbraw/zinc/02/61/91/328026191.db2.gz TZXSFKQIFCWMLF-CABZTGNLSA-N 1 2 373.356 2.291 20 5 FEBDLO COc1cc(C[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000187447536 328026192 /nfs/dbraw/zinc/02/61/92/328026192.db2.gz TZXSFKQIFCWMLF-CABZTGNLSA-N 1 2 373.356 2.291 20 5 FEBDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000191855713 328285279 /nfs/dbraw/zinc/28/52/79/328285279.db2.gz ZJZFNAFMXSIENK-PWSUYJOCSA-N 1 2 369.805 2.318 20 5 FEBDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000191855713 328285280 /nfs/dbraw/zinc/28/52/80/328285280.db2.gz ZJZFNAFMXSIENK-PWSUYJOCSA-N 1 2 369.805 2.318 20 5 FEBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000008895972 324364096 /nfs/dbraw/zinc/36/40/96/324364096.db2.gz GMQOXAYOYZBQMM-ZDUSSCGKSA-N 1 2 355.441 2.238 20 5 FEBDLO O=C(NCCCn1cc[nH+]c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079762405 325104719 /nfs/dbraw/zinc/10/47/19/325104719.db2.gz BVBLVFPVHSPWPX-UHFFFAOYSA-N 1 2 353.176 2.374 20 5 FEBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000087070853 325272704 /nfs/dbraw/zinc/27/27/04/325272704.db2.gz GBTWOUAZZWSOCC-UHFFFAOYSA-N 1 2 370.409 2.075 20 5 FEBDLO COCc1ccccc1CNC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607140 325298736 /nfs/dbraw/zinc/29/87/36/325298736.db2.gz VHEQPQAIYUHTFO-UHFFFAOYSA-N 1 2 369.421 2.416 20 5 FEBDLO COCc1ccccc1CNC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607140 325298738 /nfs/dbraw/zinc/29/87/38/325298738.db2.gz VHEQPQAIYUHTFO-UHFFFAOYSA-N 1 2 369.421 2.416 20 5 FEBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccco1 ZINC000119498760 326168754 /nfs/dbraw/zinc/16/87/54/326168754.db2.gz SWQCQMGTEIZOJJ-GFCCVEGCSA-N 1 2 373.818 2.422 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000119856253 326205678 /nfs/dbraw/zinc/20/56/78/326205678.db2.gz UTQQTGCJDLVEGB-CYBMUJFWSA-N 1 2 358.398 2.432 20 5 FEBDLO O=C(C1CC1)N1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000121598330 326350867 /nfs/dbraw/zinc/35/08/67/326350867.db2.gz CIGMBPOFVJHPBL-UHFFFAOYSA-N 1 2 371.397 2.089 20 5 FEBDLO O=C(C1CC1)N1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000121598330 326350870 /nfs/dbraw/zinc/35/08/70/326350870.db2.gz CIGMBPOFVJHPBL-UHFFFAOYSA-N 1 2 371.397 2.089 20 5 FEBDLO COc1ccc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000126074759 326482613 /nfs/dbraw/zinc/48/26/13/326482613.db2.gz GMKCYHJXSRIJSL-LBPRGKRZSA-N 1 2 366.399 2.242 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)SCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000159870289 326945043 /nfs/dbraw/zinc/94/50/43/326945043.db2.gz MEWZYFLHKUUQGM-ZDUSSCGKSA-N 1 2 353.444 2.296 20 5 FEBDLO CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172317291 327195366 /nfs/dbraw/zinc/19/53/66/327195366.db2.gz KKVADSLBLUPCIJ-HNNXBMFYSA-N 1 2 372.381 2.337 20 5 FEBDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172360395 327197690 /nfs/dbraw/zinc/19/76/90/327197690.db2.gz VKYFYASGFBLAPI-CQSZACIVSA-N 1 2 361.423 2.403 20 5 FEBDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172360395 327197691 /nfs/dbraw/zinc/19/76/91/327197691.db2.gz VKYFYASGFBLAPI-CQSZACIVSA-N 1 2 361.423 2.403 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nnc(-c4ccco4)o3)C2)nc1 ZINC000172358813 327197808 /nfs/dbraw/zinc/19/78/08/327197808.db2.gz AMEZCDTYCXDRSH-LLVKDONJSA-N 1 2 356.342 2.319 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3nnc(-c4ccco4)o3)C2)nc1 ZINC000172358813 327197809 /nfs/dbraw/zinc/19/78/09/327197809.db2.gz AMEZCDTYCXDRSH-LLVKDONJSA-N 1 2 356.342 2.319 20 5 FEBDLO CC(C)(C)OC(=O)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172962853 327227227 /nfs/dbraw/zinc/22/72/27/327227227.db2.gz YXXNMVXDYAKXKP-UHFFFAOYSA-N 1 2 360.370 2.242 20 5 FEBDLO COc1ccccc1NC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173470317 327259468 /nfs/dbraw/zinc/25/94/68/327259468.db2.gz IMNKMKBPEAAUHG-ZDUSSCGKSA-N 1 2 371.397 2.123 20 5 FEBDLO COc1ccccc1NC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173470317 327259470 /nfs/dbraw/zinc/25/94/70/327259470.db2.gz IMNKMKBPEAAUHG-ZDUSSCGKSA-N 1 2 371.397 2.123 20 5 FEBDLO COc1ccc(OCC[NH+]2CCN(C(=O)C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000173474000 327260033 /nfs/dbraw/zinc/26/00/33/327260033.db2.gz CJGALIKGJXGNKW-UHFFFAOYSA-N 1 2 365.430 2.173 20 5 FEBDLO COc1ccc(OCCN2CC[NH+](Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000173484611 327260778 /nfs/dbraw/zinc/26/07/78/327260778.db2.gz OMNKEZWXCYFOSP-UHFFFAOYSA-N 1 2 372.425 2.195 20 5 FEBDLO COc1ccc(OCC[NH+]2CCN(Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000173484611 327260780 /nfs/dbraw/zinc/26/07/80/327260780.db2.gz OMNKEZWXCYFOSP-UHFFFAOYSA-N 1 2 372.425 2.195 20 5 FEBDLO COc1ccccc1C[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173490012 327260905 /nfs/dbraw/zinc/26/09/05/327260905.db2.gz JNHMIPMRTNQEST-UHFFFAOYSA-N 1 2 369.421 2.490 20 5 FEBDLO CC(C)OC(=O)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000174298655 327318110 /nfs/dbraw/zinc/31/81/10/327318110.db2.gz YYHRXZTVTDKCCM-GFCCVEGCSA-N 1 2 360.370 2.098 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2nccc(OC)n2)CC1 ZINC000175183982 327378608 /nfs/dbraw/zinc/37/86/08/327378608.db2.gz ZOFFVGZTECIIFH-UHFFFAOYSA-N 1 2 373.413 2.114 20 5 FEBDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000178087358 327564183 /nfs/dbraw/zinc/56/41/83/327564183.db2.gz NDKHWUKIEXNEGI-UHFFFAOYSA-N 1 2 354.370 2.139 20 5 FEBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cn1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000178766233 327605485 /nfs/dbraw/zinc/60/54/85/327605485.db2.gz NZCJGLOTOBPWOQ-CYBMUJFWSA-N 1 2 373.438 2.214 20 5 FEBDLO CC(C)NC(=O)c1ccc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000264270403 329006459 /nfs/dbraw/zinc/00/64/59/329006459.db2.gz NPRRUFAVGBZOJI-ZIAGYGMSSA-N 1 2 364.446 2.254 20 5 FEBDLO CC(C)NC(=O)c1ccc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000264270399 329006513 /nfs/dbraw/zinc/00/65/13/329006513.db2.gz NPRRUFAVGBZOJI-UONOGXRCSA-N 1 2 364.446 2.254 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)c1noc(C)n1 ZINC000264358600 329014110 /nfs/dbraw/zinc/01/41/10/329014110.db2.gz UVVBRWOYKLJMQT-UHFFFAOYSA-N 1 2 363.374 2.148 20 5 FEBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000265189144 329100569 /nfs/dbraw/zinc/10/05/69/329100569.db2.gz BYXZGMQGSJXCAM-OAHLLOKOSA-N 1 2 354.410 2.438 20 5 FEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000265216647 329103240 /nfs/dbraw/zinc/10/32/40/329103240.db2.gz NHVNDXNWMSNULV-DGCLKSJQSA-N 1 2 371.821 2.049 20 5 FEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@H](OCCO)C1 ZINC000265216647 329103241 /nfs/dbraw/zinc/10/32/41/329103241.db2.gz NHVNDXNWMSNULV-DGCLKSJQSA-N 1 2 371.821 2.049 20 5 FEBDLO C[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CCOC1 ZINC000266746958 329255349 /nfs/dbraw/zinc/25/53/49/329255349.db2.gz OXMBPJYPHAKCSM-CYBMUJFWSA-N 1 2 362.411 2.378 20 5 FEBDLO C[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CCOC1 ZINC000266746958 329255350 /nfs/dbraw/zinc/25/53/50/329255350.db2.gz OXMBPJYPHAKCSM-CYBMUJFWSA-N 1 2 362.411 2.378 20 5 FEBDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)S1 ZINC000273480015 329868103 /nfs/dbraw/zinc/86/81/03/329868103.db2.gz QJBUTSBVTJDOOC-JTQLQIEISA-N 1 2 367.406 2.375 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000276202927 330128783 /nfs/dbraw/zinc/12/87/83/330128783.db2.gz IWOZWBGVUHHZFN-GFCCVEGCSA-N 1 2 362.411 2.084 20 5 FEBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367084512 330215429 /nfs/dbraw/zinc/21/54/29/330215429.db2.gz MWJLPIFLWFJNBU-QGZVFWFLSA-N 1 2 367.409 2.351 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367132157 330220822 /nfs/dbraw/zinc/22/08/22/330220822.db2.gz YTHRIQVIZACMRX-AWEZNQCLSA-N 1 2 372.429 2.039 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H]1CCO)Nc1ccc([N+](=O)[O-])cc1Br ZINC000426229259 330270931 /nfs/dbraw/zinc/27/09/31/330270931.db2.gz WJWMSTLHFZEDRK-JTQLQIEISA-N 1 2 372.219 2.143 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H]1CCO)Nc1ccc([N+](=O)[O-])cc1Br ZINC000426229259 330270932 /nfs/dbraw/zinc/27/09/32/330270932.db2.gz WJWMSTLHFZEDRK-JTQLQIEISA-N 1 2 372.219 2.143 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(O)(C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000426246812 330271741 /nfs/dbraw/zinc/27/17/41/330271741.db2.gz WMNUQUBOBYAMRO-LLVKDONJSA-N 1 2 357.357 2.322 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000155882207 545579310 /nfs/dbraw/zinc/57/93/10/545579310.db2.gz PRYBRBLDXSTYEH-LBPRGKRZSA-N 1 2 374.363 2.492 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000155882207 545579313 /nfs/dbraw/zinc/57/93/13/545579313.db2.gz PRYBRBLDXSTYEH-LBPRGKRZSA-N 1 2 374.363 2.492 20 5 FEBDLO CC(C)C(=O)NCC[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000157384118 545733878 /nfs/dbraw/zinc/73/38/78/545733878.db2.gz WOYZACKBWLRIMK-NSHDSACASA-N 1 2 370.837 2.279 20 5 FEBDLO CC(C)C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000157384118 545733883 /nfs/dbraw/zinc/73/38/83/545733883.db2.gz WOYZACKBWLRIMK-NSHDSACASA-N 1 2 370.837 2.279 20 5 FEBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000159350882 545945280 /nfs/dbraw/zinc/94/52/80/545945280.db2.gz KVIJCEBAZGRBDA-RDJZCZTQSA-N 1 2 362.382 2.391 20 5 FEBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000159350882 545945284 /nfs/dbraw/zinc/94/52/84/545945284.db2.gz KVIJCEBAZGRBDA-RDJZCZTQSA-N 1 2 362.382 2.391 20 5 FEBDLO CC(=O)NC[C@@H]1C[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CCO1 ZINC000172190859 546239665 /nfs/dbraw/zinc/23/96/65/546239665.db2.gz VQFUDOIKMYFROG-QGZVFWFLSA-N 1 2 366.417 2.283 20 5 FEBDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CCO1 ZINC000172190859 546239667 /nfs/dbraw/zinc/23/96/67/546239667.db2.gz VQFUDOIKMYFROG-QGZVFWFLSA-N 1 2 366.417 2.283 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)n1 ZINC000480225971 561205459 /nfs/dbraw/zinc/20/54/59/561205459.db2.gz NWXFQGUEGDVJGV-GJZGRUSLSA-N 1 2 362.409 2.365 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)n1 ZINC000480225971 561205460 /nfs/dbraw/zinc/20/54/60/561205460.db2.gz NWXFQGUEGDVJGV-GJZGRUSLSA-N 1 2 362.409 2.365 20 5 FEBDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000480252263 561205907 /nfs/dbraw/zinc/20/59/07/561205907.db2.gz JVCHLKLHXDPDMF-JSGCOSHPSA-N 1 2 351.357 2.492 20 5 FEBDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000480252263 561205908 /nfs/dbraw/zinc/20/59/08/561205908.db2.gz JVCHLKLHXDPDMF-JSGCOSHPSA-N 1 2 351.357 2.492 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176421313 546443925 /nfs/dbraw/zinc/44/39/25/546443925.db2.gz KWPDTGQGSFRAFZ-UHFFFAOYSA-N 1 2 350.400 2.161 20 5 FEBDLO CC(C)OCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000176785947 546487938 /nfs/dbraw/zinc/48/79/38/546487938.db2.gz XZSIXQNBCFAFCE-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc([S@](C)=O)cc1 ZINC000178799971 546851648 /nfs/dbraw/zinc/85/16/48/546851648.db2.gz YMNNPOWMPFGONO-VWLOTQADSA-N 1 2 361.423 2.403 20 5 FEBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc([S@](C)=O)cc1 ZINC000178799971 546851652 /nfs/dbraw/zinc/85/16/52/546851652.db2.gz YMNNPOWMPFGONO-VWLOTQADSA-N 1 2 361.423 2.403 20 5 FEBDLO COCCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000179352868 546937755 /nfs/dbraw/zinc/93/77/55/546937755.db2.gz MDXOINPYTWZCPJ-BBRMVZONSA-N 1 2 351.403 2.049 20 5 FEBDLO COCCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000179352868 546937758 /nfs/dbraw/zinc/93/77/58/546937758.db2.gz MDXOINPYTWZCPJ-BBRMVZONSA-N 1 2 351.403 2.049 20 5 FEBDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000181565193 547338110 /nfs/dbraw/zinc/33/81/10/547338110.db2.gz GNUVRTKBWWMDPC-CQSZACIVSA-N 1 2 355.460 2.232 20 5 FEBDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000181565193 547338117 /nfs/dbraw/zinc/33/81/17/547338117.db2.gz GNUVRTKBWWMDPC-CQSZACIVSA-N 1 2 355.460 2.232 20 5 FEBDLO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000182180945 547448902 /nfs/dbraw/zinc/44/89/02/547448902.db2.gz MTKPJHWBHNXRMY-UHFFFAOYSA-N 1 2 356.382 2.342 20 5 FEBDLO COc1cc(C[NH+]2CCC(N3CCCNC3=O)CC2)c([N+](=O)[O-])cc1F ZINC000184268205 547797241 /nfs/dbraw/zinc/79/72/41/547797241.db2.gz ZSIUSPODVCVMEW-UHFFFAOYSA-N 1 2 366.393 2.122 20 5 FEBDLO COc1ccccc1C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000184370504 547815031 /nfs/dbraw/zinc/81/50/31/547815031.db2.gz YLVRJDBFMGRKIP-UHFFFAOYSA-N 1 2 370.409 2.144 20 5 FEBDLO CC/C=C/CC[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000184401595 547821031 /nfs/dbraw/zinc/82/10/31/547821031.db2.gz LHDGDFUZSZDYAB-SNAWJCMRSA-N 1 2 367.471 2.477 20 5 FEBDLO COC[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184643593 547860050 /nfs/dbraw/zinc/86/00/50/547860050.db2.gz CWTZXAVTJQPUQZ-AWEZNQCLSA-N 1 2 363.370 2.421 20 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O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000247341840 549321191 /nfs/dbraw/zinc/32/11/91/549321191.db2.gz SKHBVGZJOYVQPK-MJGOQNOKSA-N 1 2 358.394 2.408 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000247341840 549321197 /nfs/dbraw/zinc/32/11/97/549321197.db2.gz SKHBVGZJOYVQPK-MJGOQNOKSA-N 1 2 358.394 2.408 20 5 FEBDLO C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000247773885 549378764 /nfs/dbraw/zinc/37/87/64/549378764.db2.gz WNEUKDAAWWPNJW-SWLSCSKDSA-N 1 2 350.400 2.063 20 5 FEBDLO C[C@H]([C@H](C)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000264205290 549992549 /nfs/dbraw/zinc/99/25/49/549992549.db2.gz FCGJLSKODURNFQ-QWHCGFSZSA-N 1 2 362.430 2.008 20 5 FEBDLO CCOc1cc(CN2CC[NH+](Cc3cnn(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000492633250 561452124 /nfs/dbraw/zinc/45/21/24/561452124.db2.gz UUYNWRKGSGJLES-UHFFFAOYSA-N 1 2 359.430 2.045 20 5 FEBDLO CCOc1cc(C[NH+]2CCN(Cc3cnn(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000492633250 561452125 /nfs/dbraw/zinc/45/21/25/561452125.db2.gz UUYNWRKGSGJLES-UHFFFAOYSA-N 1 2 359.430 2.045 20 5 FEBDLO COc1cc(C[N@H+](CCO)CCOCC(F)(F)F)c([N+](=O)[O-])cc1F ZINC000274306970 550531754 /nfs/dbraw/zinc/53/17/54/550531754.db2.gz LDHKINSCUGJRMQ-UHFFFAOYSA-N 1 2 370.299 2.116 20 5 FEBDLO COc1cc(C[N@@H+](CCO)CCOCC(F)(F)F)c([N+](=O)[O-])cc1F ZINC000274306970 550531756 /nfs/dbraw/zinc/53/17/56/550531756.db2.gz LDHKINSCUGJRMQ-UHFFFAOYSA-N 1 2 370.299 2.116 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000277693497 550702413 /nfs/dbraw/zinc/70/24/13/550702413.db2.gz HGBBCJGNWDLFQN-HNNXBMFYSA-N 1 2 356.444 2.393 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000277693497 550702415 /nfs/dbraw/zinc/70/24/15/550702415.db2.gz HGBBCJGNWDLFQN-HNNXBMFYSA-N 1 2 356.444 2.393 20 5 FEBDLO O=C(NCC1([NH+]2CCOCC2)CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000277880099 550724765 /nfs/dbraw/zinc/72/47/65/550724765.db2.gz KTIBSTMEOLZYCI-UHFFFAOYSA-N 1 2 373.331 2.208 20 5 FEBDLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000278282640 550768548 /nfs/dbraw/zinc/76/85/48/550768548.db2.gz KFQNFASAWOKXRM-IUODEOHRSA-N 1 2 358.822 2.094 20 5 FEBDLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000278282640 550768550 /nfs/dbraw/zinc/76/85/50/550768550.db2.gz KFQNFASAWOKXRM-IUODEOHRSA-N 1 2 358.822 2.094 20 5 FEBDLO C[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000278448564 550787279 /nfs/dbraw/zinc/78/72/79/550787279.db2.gz RKZBFYWVZVQAGI-MFKMUULPSA-N 1 2 360.336 2.166 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(Br)cnn1C ZINC000278591709 550802066 /nfs/dbraw/zinc/80/20/66/550802066.db2.gz ZOGWUIZTRHJDSH-UHFFFAOYSA-N 1 2 355.192 2.389 20 5 FEBDLO CCCN1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C(C)(C)C1=O ZINC000495225153 561484917 /nfs/dbraw/zinc/48/49/17/561484917.db2.gz OGHDIIYFVWYSKL-UHFFFAOYSA-N 1 2 365.430 2.315 20 5 FEBDLO CCCN1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C(C)(C)C1=O ZINC000495225153 561484918 /nfs/dbraw/zinc/48/49/18/561484918.db2.gz OGHDIIYFVWYSKL-UHFFFAOYSA-N 1 2 365.430 2.315 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000279246644 550869291 /nfs/dbraw/zinc/86/92/91/550869291.db2.gz GQAUBZWNFWLFNU-LBPRGKRZSA-N 1 2 353.444 2.109 20 5 FEBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000279285724 550873424 /nfs/dbraw/zinc/87/34/24/550873424.db2.gz KZIPZRPOSBUQBY-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000279285724 550873425 /nfs/dbraw/zinc/87/34/25/550873425.db2.gz KZIPZRPOSBUQBY-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000279698118 550918202 /nfs/dbraw/zinc/91/82/02/550918202.db2.gz GSWFFTJXSWJQHJ-UHQDVWGKSA-N 1 2 363.414 2.190 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000279698118 550918204 /nfs/dbraw/zinc/91/82/04/550918204.db2.gz GSWFFTJXSWJQHJ-UHQDVWGKSA-N 1 2 363.414 2.190 20 5 FEBDLO CCC(CC)[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000280728574 551025889 /nfs/dbraw/zinc/02/58/89/551025889.db2.gz IECQSAPOMRHWCK-OAHLLOKOSA-N 1 2 365.430 2.167 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2ccnn2C)n1 ZINC000281531923 551109757 /nfs/dbraw/zinc/10/97/57/551109757.db2.gz REFAZCQREYCTAD-ZFWWWQNUSA-N 1 2 362.409 2.081 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2ccnn2C)n1 ZINC000281531923 551109758 /nfs/dbraw/zinc/10/97/58/551109758.db2.gz REFAZCQREYCTAD-ZFWWWQNUSA-N 1 2 362.409 2.081 20 5 FEBDLO CNC(=O)[C@H]1CCC[C@@H]1Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497536198 561503374 /nfs/dbraw/zinc/50/33/74/561503374.db2.gz XVBXJRUEBGIKRT-GJZGRUSLSA-N 1 2 355.398 2.109 20 5 FEBDLO C[N@@H+]1CCO[C@@H]2CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000284417876 551544928 /nfs/dbraw/zinc/54/49/28/551544928.db2.gz RAFGWVVTKBZQCH-DZGCQCFKSA-N 1 2 357.357 2.101 20 5 FEBDLO C[N@H+]1CCO[C@@H]2CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000284417876 551544931 /nfs/dbraw/zinc/54/49/31/551544931.db2.gz RAFGWVVTKBZQCH-DZGCQCFKSA-N 1 2 357.357 2.101 20 5 FEBDLO Cc1noc([C@@H]2CCCC[N@@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000285661117 551791539 /nfs/dbraw/zinc/79/15/39/551791539.db2.gz MTZAIKAJQGKETO-ZFWWWQNUSA-N 1 2 362.386 2.253 20 5 FEBDLO Cc1noc([C@@H]2CCCC[N@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000285661117 551791541 /nfs/dbraw/zinc/79/15/41/551791541.db2.gz MTZAIKAJQGKETO-ZFWWWQNUSA-N 1 2 362.386 2.253 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285763447 551806860 /nfs/dbraw/zinc/80/68/60/551806860.db2.gz XLCQUIBIKQUNNC-UHFFFAOYSA-N 1 2 371.397 2.065 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285763447 551806861 /nfs/dbraw/zinc/80/68/61/551806861.db2.gz XLCQUIBIKQUNNC-UHFFFAOYSA-N 1 2 371.397 2.065 20 5 FEBDLO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000285794590 551811615 /nfs/dbraw/zinc/81/16/15/551811615.db2.gz PFKIWFBIFWHOOD-OAHLLOKOSA-N 1 2 359.386 2.053 20 5 FEBDLO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000285794590 551811617 /nfs/dbraw/zinc/81/16/17/551811617.db2.gz PFKIWFBIFWHOOD-OAHLLOKOSA-N 1 2 359.386 2.053 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000286299906 551871568 /nfs/dbraw/zinc/87/15/68/551871568.db2.gz JLGGWJXTTNLVSH-MNOVXSKESA-N 1 2 360.336 2.308 20 5 FEBDLO COc1cccc(CC(=O)N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000499129629 561544151 /nfs/dbraw/zinc/54/41/51/561544151.db2.gz WGJRQNNEQHBURJ-UHFFFAOYSA-N 1 2 369.421 2.490 20 5 FEBDLO COCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000287349450 551992729 /nfs/dbraw/zinc/99/27/29/551992729.db2.gz LIMWAXKWENJLMK-UHFFFAOYSA-N 1 2 358.398 2.101 20 5 FEBDLO COCC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000287349450 551992731 /nfs/dbraw/zinc/99/27/31/551992731.db2.gz LIMWAXKWENJLMK-UHFFFAOYSA-N 1 2 358.398 2.101 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000287586152 552022131 /nfs/dbraw/zinc/02/21/31/552022131.db2.gz XRVBHPSEPGSTEM-WCQYABFASA-N 1 2 353.806 2.183 20 5 FEBDLO CCC[C@]1(CO)CC[N@H+](CC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])C1 ZINC000288754318 552206412 /nfs/dbraw/zinc/20/64/12/552206412.db2.gz IGLRYRROVBZTLL-SFHVURJKSA-N 1 2 365.430 2.417 20 5 FEBDLO CCC[C@]1(CO)CC[N@@H+](CC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])C1 ZINC000288754318 552206414 /nfs/dbraw/zinc/20/64/14/552206414.db2.gz IGLRYRROVBZTLL-SFHVURJKSA-N 1 2 365.430 2.417 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000289355916 552306649 /nfs/dbraw/zinc/30/66/49/552306649.db2.gz MBMDYRDIVLESQR-YPMHNXCESA-N 1 2 353.806 2.183 20 5 FEBDLO C[C@@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCC1(F)F ZINC000289730410 552369034 /nfs/dbraw/zinc/36/90/34/552369034.db2.gz IZRFMLDVXSYGFQ-SECBINFHSA-N 1 2 357.313 2.239 20 5 FEBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCC1(F)F ZINC000289730410 552369035 /nfs/dbraw/zinc/36/90/35/552369035.db2.gz IZRFMLDVXSYGFQ-SECBINFHSA-N 1 2 357.313 2.239 20 5 FEBDLO CC1(C)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1[C@H]1CCCO1 ZINC000289797975 552380248 /nfs/dbraw/zinc/38/02/48/552380248.db2.gz NNQDEOHMKRQXSL-AEFFLSMTSA-N 1 2 359.426 2.373 20 5 FEBDLO CC1(C)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1[C@H]1CCCO1 ZINC000289797975 552380250 /nfs/dbraw/zinc/38/02/50/552380250.db2.gz NNQDEOHMKRQXSL-AEFFLSMTSA-N 1 2 359.426 2.373 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000501424826 561597347 /nfs/dbraw/zinc/59/73/47/561597347.db2.gz QASBWRVDSDHMGO-ZDUSSCGKSA-N 1 2 369.219 2.256 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000501424826 561597348 /nfs/dbraw/zinc/59/73/48/561597348.db2.gz QASBWRVDSDHMGO-ZDUSSCGKSA-N 1 2 369.219 2.256 20 5 FEBDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000501474507 561598117 /nfs/dbraw/zinc/59/81/17/561598117.db2.gz LCGVFWOWXMJUSB-CYBMUJFWSA-N 1 2 368.397 2.291 20 5 FEBDLO CC(C)[C@@]1(CO)CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000292991869 552778189 /nfs/dbraw/zinc/77/81/89/552778189.db2.gz IHUWPKPCUDNOAP-KRWDZBQOSA-N 1 2 370.471 2.099 20 5 FEBDLO CC(C)[C@@]1(CO)CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000292991869 552778190 /nfs/dbraw/zinc/77/81/90/552778190.db2.gz IHUWPKPCUDNOAP-KRWDZBQOSA-N 1 2 370.471 2.099 20 5 FEBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H](O)c2ccccc2F)CC1 ZINC000293277564 552806255 /nfs/dbraw/zinc/80/62/55/552806255.db2.gz VHMNWPAVXXOPDO-SFHVURJKSA-N 1 2 373.384 2.225 20 5 FEBDLO CCOc1cc(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000293465163 552826406 /nfs/dbraw/zinc/82/64/06/552826406.db2.gz WZOKWWXJWRAOOF-CQSZACIVSA-N 1 2 356.444 2.250 20 5 FEBDLO CCOc1cc(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000293465163 552826407 /nfs/dbraw/zinc/82/64/07/552826407.db2.gz WZOKWWXJWRAOOF-CQSZACIVSA-N 1 2 356.444 2.250 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000293789450 552856723 /nfs/dbraw/zinc/85/67/23/552856723.db2.gz AXFMZTKJRQKDOR-KRWDZBQOSA-N 1 2 368.397 2.461 20 5 FEBDLO Cn1c2ccccc2[nH+]c1N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000294229326 552889864 /nfs/dbraw/zinc/88/98/64/552889864.db2.gz VPMRXFJMRCIMCA-UHFFFAOYSA-N 1 2 365.393 2.444 20 5 FEBDLO COCCn1cc(CN[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000502345574 561616659 /nfs/dbraw/zinc/61/66/59/561616659.db2.gz KXEOZZKVXFBTHT-KRWDZBQOSA-N 1 2 370.413 2.050 20 5 FEBDLO Cc1cccc([C@H](CNc2ncc([N+](=O)[O-])c(C)n2)[NH+]2CCOCC2)c1 ZINC000296182055 553118332 /nfs/dbraw/zinc/11/83/32/553118332.db2.gz BAPKWWZTRGOLCW-KRWDZBQOSA-N 1 2 357.414 2.487 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1N(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000296225449 553125445 /nfs/dbraw/zinc/12/54/45/553125445.db2.gz HCEJDDZSRWEDIZ-NSHDSACASA-N 1 2 370.456 2.381 20 5 FEBDLO C[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296498203 553170231 /nfs/dbraw/zinc/17/02/31/553170231.db2.gz BLKHXUGAAHYLSM-ZQIUZPCESA-N 1 2 362.430 2.160 20 5 FEBDLO COc1ccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])c(C)n3)CC2)cc1F ZINC000296535129 553175615 /nfs/dbraw/zinc/17/56/15/553175615.db2.gz NNTYNFHUAMJVOZ-UHFFFAOYSA-N 1 2 361.377 2.163 20 5 FEBDLO Cc1nc(NCc2ccc(C[NH+]3CCS(=O)CC3)cc2)ccc1[N+](=O)[O-] ZINC000601177984 553356584 /nfs/dbraw/zinc/35/65/84/553356584.db2.gz GYYAPVFURJRAJD-UHFFFAOYSA-N 1 2 374.466 2.475 20 5 FEBDLO O=[N+]([O-])c1cnc(NCc2ccc(C[NH+]3CCS(=O)CC3)cc2)s1 ZINC000601178131 553356897 /nfs/dbraw/zinc/35/68/97/553356897.db2.gz MCTDQKOFXVDCGR-UHFFFAOYSA-N 1 2 366.468 2.228 20 5 FEBDLO C[C@]12CC[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@H]1C2(F)F ZINC000298341734 553414119 /nfs/dbraw/zinc/41/41/19/553414119.db2.gz SFEMRIJEWBIOGO-ZBFHGGJFSA-N 1 2 351.353 2.461 20 5 FEBDLO C[C@]12CC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@H]1C2(F)F ZINC000298341734 553414121 /nfs/dbraw/zinc/41/41/21/553414121.db2.gz SFEMRIJEWBIOGO-ZBFHGGJFSA-N 1 2 351.353 2.461 20 5 FEBDLO CCOC1(C)CC[NH+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000298355587 553415744 /nfs/dbraw/zinc/41/57/44/553415744.db2.gz UAIPMMGSKZLLKP-UHFFFAOYSA-N 1 2 351.403 2.433 20 5 FEBDLO Cc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[NH+]2CCOCC2)c1 ZINC000298958676 553495252 /nfs/dbraw/zinc/49/52/52/553495252.db2.gz WEMFMBGTAAPPLA-MRXNPFEDSA-N 1 2 358.398 2.035 20 5 FEBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccsc1 ZINC000299076440 553512198 /nfs/dbraw/zinc/51/21/98/553512198.db2.gz XNKZXNQKQAAQAJ-GFCCVEGCSA-N 1 2 373.431 2.377 20 5 FEBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000299170398 553524977 /nfs/dbraw/zinc/52/49/77/553524977.db2.gz VMZMMBDSWOKDLE-UHFFFAOYSA-N 1 2 365.393 2.429 20 5 FEBDLO COc1cc(C(=O)N2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000299348852 553551508 /nfs/dbraw/zinc/55/15/08/553551508.db2.gz MEMNSICOUAOWQR-UHFFFAOYSA-N 1 2 371.340 2.125 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000299355600 553552292 /nfs/dbraw/zinc/55/22/92/553552292.db2.gz RCINOQXSYQNDEZ-UHFFFAOYSA-N 1 2 371.397 2.210 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000301575367 553662883 /nfs/dbraw/zinc/66/28/83/553662883.db2.gz ZMQUATQXUPWPGA-UHFFFAOYSA-N 1 2 369.425 2.449 20 5 FEBDLO Cc1ccc([C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[NH+]2CCOCC2)o1 ZINC000301854212 553685587 /nfs/dbraw/zinc/68/55/87/553685587.db2.gz YFROJJGUTUYCFS-ZDUSSCGKSA-N 1 2 372.385 2.024 20 5 FEBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000505223188 561668234 /nfs/dbraw/zinc/66/82/34/561668234.db2.gz IRPINQGIYJZWDJ-UHFFFAOYSA-N 1 2 352.350 2.475 20 5 FEBDLO CN(C)c1[nH+]cccc1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000302660808 553724736 /nfs/dbraw/zinc/72/47/36/553724736.db2.gz OXZKYVFFJGCMEZ-UHFFFAOYSA-N 1 2 350.400 2.071 20 5 FEBDLO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000506758909 561707954 /nfs/dbraw/zinc/70/79/54/561707954.db2.gz IUVIHESXQHPKIH-UHFFFAOYSA-N 1 2 358.354 2.053 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000508081306 561750526 /nfs/dbraw/zinc/75/05/26/561750526.db2.gz BYFZUJAUWXIAFQ-UHFFFAOYSA-N 1 2 373.394 2.344 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330794176 554172275 /nfs/dbraw/zinc/17/22/75/554172275.db2.gz CXQNXHTVPMVOSP-HZMBPMFUSA-N 1 2 361.320 2.311 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330794176 554172277 /nfs/dbraw/zinc/17/22/77/554172277.db2.gz CXQNXHTVPMVOSP-HZMBPMFUSA-N 1 2 361.320 2.311 20 5 FEBDLO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000331436489 554264245 /nfs/dbraw/zinc/26/42/45/554264245.db2.gz CWZZTQNUZDAEMK-CABZTGNLSA-N 1 2 359.835 2.009 20 5 FEBDLO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000331436489 554264246 /nfs/dbraw/zinc/26/42/46/554264246.db2.gz CWZZTQNUZDAEMK-CABZTGNLSA-N 1 2 359.835 2.009 20 5 FEBDLO O=[N+]([O-])c1ccc2ncnc(NCc3ccc[nH+]c3N3CCOCC3)c2c1 ZINC000609849706 554429840 /nfs/dbraw/zinc/42/98/40/554429840.db2.gz IZBIEEKUOLSPGU-UHFFFAOYSA-N 1 2 366.381 2.382 20 5 FEBDLO CN(CCN(C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])CC(F)F ZINC000509891312 561817566 /nfs/dbraw/zinc/81/75/66/561817566.db2.gz SPNGGMIEFJUIDS-UHFFFAOYSA-N 1 2 372.416 2.060 20 5 FEBDLO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000510027899 561822321 /nfs/dbraw/zinc/82/23/21/561822321.db2.gz IVAAIWAOMMOQNI-UHFFFAOYSA-N 1 2 358.354 2.053 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c1[N+](=O)[O-] ZINC000510448573 561834999 /nfs/dbraw/zinc/83/49/99/561834999.db2.gz VNXXYJYVBAJFAQ-ZDUSSCGKSA-N 1 2 364.427 2.375 20 5 FEBDLO Cc1[nH+]c(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c2n1CCCC2 ZINC000362484760 554974816 /nfs/dbraw/zinc/97/48/16/554974816.db2.gz HDKLKWJCIALAKO-UHFFFAOYSA-N 1 2 368.390 2.054 20 5 FEBDLO COC(=O)c1ccnc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000511804426 561880933 /nfs/dbraw/zinc/88/09/33/561880933.db2.gz CVPMUXSOOTXKGS-UHFFFAOYSA-N 1 2 367.321 2.214 20 5 FEBDLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000363618749 555148735 /nfs/dbraw/zinc/14/87/35/555148735.db2.gz ZMTQGDBOCRILHG-GXTWGEPZSA-N 1 2 358.423 2.305 20 5 FEBDLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000363618749 555148737 /nfs/dbraw/zinc/14/87/37/555148737.db2.gz ZMTQGDBOCRILHG-GXTWGEPZSA-N 1 2 358.423 2.305 20 5 FEBDLO Cc1cc(N2CC[C@@H](n3cncn3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000364237430 555276136 /nfs/dbraw/zinc/27/61/36/555276136.db2.gz NSOKSDGFCZXUGT-OAHLLOKOSA-N 1 2 351.370 2.403 20 5 FEBDLO COc1cc[nH+]cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000364456375 555317537 /nfs/dbraw/zinc/31/75/37/555317537.db2.gz BCWCDLSSVAFQEV-SNVBAGLBSA-N 1 2 374.328 2.129 20 5 FEBDLO C[C@H](CN1CCCC1=O)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513683874 561946633 /nfs/dbraw/zinc/94/66/33/561946633.db2.gz NKVNONAKVHVQSM-CXAGYDPISA-N 1 2 357.414 2.018 20 5 FEBDLO CCOC(=O)CN(CC(C)C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000514568033 561967320 /nfs/dbraw/zinc/96/73/20/561967320.db2.gz YDCRAZIAGYWETK-UHFFFAOYSA-N 1 2 374.397 2.442 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccc(F)cn3)CC2)c([N+](=O)[O-])c1 ZINC000367460213 556056677 /nfs/dbraw/zinc/05/66/77/556056677.db2.gz ZETOULZCDNROLH-UHFFFAOYSA-N 1 2 361.333 2.359 20 5 FEBDLO CC(C)(C)c1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000370781521 556966665 /nfs/dbraw/zinc/96/66/65/556966665.db2.gz ZITFFTXHBSDCSF-HNNXBMFYSA-N 1 2 361.442 2.439 20 5 FEBDLO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000517414943 562089642 /nfs/dbraw/zinc/08/96/42/562089642.db2.gz MFZKLALUEDBOBC-TXEJJXNPSA-N 1 2 359.423 2.275 20 5 FEBDLO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000517414943 562089643 /nfs/dbraw/zinc/08/96/43/562089643.db2.gz MFZKLALUEDBOBC-TXEJJXNPSA-N 1 2 359.423 2.275 20 5 FEBDLO Cc1cn2c([nH+]1)CN(c1ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c1)CC2 ZINC000371703663 557269332 /nfs/dbraw/zinc/26/93/32/557269332.db2.gz OCAROQLCIOFFEG-UHFFFAOYSA-N 1 2 355.398 2.356 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c(F)c1 ZINC000518607634 562115242 /nfs/dbraw/zinc/11/52/42/562115242.db2.gz ISNBZAFZFDPNJJ-GFCCVEGCSA-N 1 2 371.434 2.028 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c(F)c1 ZINC000518607634 562115243 /nfs/dbraw/zinc/11/52/43/562115243.db2.gz ISNBZAFZFDPNJJ-GFCCVEGCSA-N 1 2 371.434 2.028 20 5 FEBDLO C[NH+](C)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)c2ccccc2O1 ZINC000372234993 557417155 /nfs/dbraw/zinc/41/71/55/557417155.db2.gz BNLPKAPXDNLVBN-ZDUSSCGKSA-N 1 2 357.366 2.270 20 5 FEBDLO COc1ccccc1NC(=O)C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000372716409 557545725 /nfs/dbraw/zinc/54/57/25/557545725.db2.gz OWQFCXPSAPBDGC-UHFFFAOYSA-N 1 2 373.413 2.188 20 5 FEBDLO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)c1cccs1 ZINC000373586112 557723898 /nfs/dbraw/zinc/72/38/98/557723898.db2.gz QHFOLZLJBZFWQS-QWHCGFSZSA-N 1 2 363.443 2.367 20 5 FEBDLO C[C@H](NC(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)c1cccs1 ZINC000373586112 557723900 /nfs/dbraw/zinc/72/39/00/557723900.db2.gz QHFOLZLJBZFWQS-QWHCGFSZSA-N 1 2 363.443 2.367 20 5 FEBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000373675334 557736351 /nfs/dbraw/zinc/73/63/51/557736351.db2.gz RTLQZUMTZUIKFJ-GTNSWQLSSA-N 1 2 373.369 2.280 20 5 FEBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000373675334 557736353 /nfs/dbraw/zinc/73/63/53/557736353.db2.gz RTLQZUMTZUIKFJ-GTNSWQLSSA-N 1 2 373.369 2.280 20 5 FEBDLO Cc1c(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000374340928 557868466 /nfs/dbraw/zinc/86/84/66/557868466.db2.gz MKOLBUIOHQQGDS-NSHDSACASA-N 1 2 359.342 2.175 20 5 FEBDLO COc1ccccc1[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000374346041 557868861 /nfs/dbraw/zinc/86/88/61/557868861.db2.gz PJJVMVCCTKTAIU-OAHLLOKOSA-N 1 2 371.393 2.155 20 5 FEBDLO O=C1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CCN2C(=O)N1c1ccccc1 ZINC000374657959 557912851 /nfs/dbraw/zinc/91/28/51/557912851.db2.gz AJJIREUYJACGLH-QGZVFWFLSA-N 1 2 366.377 2.248 20 5 FEBDLO O=C1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CCN2C(=O)N1c1ccccc1 ZINC000374657959 557912852 /nfs/dbraw/zinc/91/28/52/557912852.db2.gz AJJIREUYJACGLH-QGZVFWFLSA-N 1 2 366.377 2.248 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000375032711 557967516 /nfs/dbraw/zinc/96/75/16/557967516.db2.gz SSGHXKFNHXCPNO-OAHLLOKOSA-N 1 2 355.398 2.055 20 5 FEBDLO Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000375244974 557997607 /nfs/dbraw/zinc/99/76/07/557997607.db2.gz NFDBTWUAEMKJHQ-IAQYHMDHSA-N 1 2 351.313 2.038 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000375701120 558069769 /nfs/dbraw/zinc/06/97/69/558069769.db2.gz AWBXAJJKBNCLIH-UHFFFAOYSA-N 1 2 365.434 2.304 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000375701120 558069771 /nfs/dbraw/zinc/06/97/71/558069771.db2.gz AWBXAJJKBNCLIH-UHFFFAOYSA-N 1 2 365.434 2.304 20 5 FEBDLO C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@]2(CCCOC2)O1 ZINC000376019899 558114856 /nfs/dbraw/zinc/11/48/56/558114856.db2.gz CIZDUQYTHUCKKQ-UGSOOPFHSA-N 1 2 374.397 2.415 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@]2(CCCOC2)O1 ZINC000376019899 558114857 /nfs/dbraw/zinc/11/48/57/558114857.db2.gz CIZDUQYTHUCKKQ-UGSOOPFHSA-N 1 2 374.397 2.415 20 5 FEBDLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000376604075 558196534 /nfs/dbraw/zinc/19/65/34/558196534.db2.gz KYRCZFCIFCOKJA-CVEARBPZSA-N 1 2 351.378 2.107 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000377491046 558350634 /nfs/dbraw/zinc/35/06/34/558350634.db2.gz CAOOOCGXBOWZLE-CYBMUJFWSA-N 1 2 361.358 2.152 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000377491046 558350635 /nfs/dbraw/zinc/35/06/35/558350635.db2.gz CAOOOCGXBOWZLE-CYBMUJFWSA-N 1 2 361.358 2.152 20 5 FEBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3cnnn3-c3ccccc3)C2)c1 ZINC000377597091 558373694 /nfs/dbraw/zinc/37/36/94/558373694.db2.gz YWCBMDDUJKTMCU-HNNXBMFYSA-N 1 2 353.386 2.209 20 5 FEBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3cnnn3-c3ccccc3)C2)c1 ZINC000377597091 558373695 /nfs/dbraw/zinc/37/36/95/558373695.db2.gz YWCBMDDUJKTMCU-HNNXBMFYSA-N 1 2 353.386 2.209 20 5 FEBDLO Cc1nn(CCC(=O)NCc2cccc(-n3cc[nH+]c3)c2)c(C)c1[N+](=O)[O-] ZINC000522352606 562197459 /nfs/dbraw/zinc/19/74/59/562197459.db2.gz NYLFZXCFXFTUDC-UHFFFAOYSA-N 1 2 368.397 2.300 20 5 FEBDLO Nc1c(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc(F)cc1[N+](=O)[O-] ZINC000522375866 562197740 /nfs/dbraw/zinc/19/77/40/562197740.db2.gz CHAJMZXXBFINGC-UHFFFAOYSA-N 1 2 355.329 2.432 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)o2)c1 ZINC000377705911 558401743 /nfs/dbraw/zinc/40/17/43/558401743.db2.gz SJKWIFQYSJUUOB-SUMWQHHRSA-N 1 2 362.407 2.474 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)o2)c1 ZINC000377705911 558401745 /nfs/dbraw/zinc/40/17/45/558401745.db2.gz SJKWIFQYSJUUOB-SUMWQHHRSA-N 1 2 362.407 2.474 20 5 FEBDLO CC(C)[C@@]1(CO)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000378040026 558468070 /nfs/dbraw/zinc/46/80/70/558468070.db2.gz JQUZYLJPZCIMEZ-SFHVURJKSA-N 1 2 358.398 2.261 20 5 FEBDLO Cc1ccc(NCCCNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000378122282 558486266 /nfs/dbraw/zinc/48/62/66/558486266.db2.gz ZGXIDKWADNQXRN-CYBMUJFWSA-N 1 2 372.429 2.285 20 5 FEBDLO Cc1ccc(NCCCNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000378122282 558486270 /nfs/dbraw/zinc/48/62/70/558486270.db2.gz ZGXIDKWADNQXRN-CYBMUJFWSA-N 1 2 372.429 2.285 20 5 FEBDLO COc1c(C)c[nH+]c(CN(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1C ZINC000523285393 562210474 /nfs/dbraw/zinc/21/04/74/562210474.db2.gz MFJSPIMBYFFYCE-UHFFFAOYSA-N 1 2 361.402 2.205 20 5 FEBDLO Cn1cc[nH+]c1-c1cccc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)c1 ZINC000378412070 558550950 /nfs/dbraw/zinc/55/09/50/558550950.db2.gz OQLHZVMSZJWADR-UHFFFAOYSA-N 1 2 352.354 2.101 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000408182382 558654349 /nfs/dbraw/zinc/65/43/49/558654349.db2.gz JRRQYOFYMOXLMD-UKRRQHHQSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000408182382 558654350 /nfs/dbraw/zinc/65/43/50/558654350.db2.gz JRRQYOFYMOXLMD-UKRRQHHQSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)cc1C ZINC000408182760 558654549 /nfs/dbraw/zinc/65/45/49/558654549.db2.gz NAAUWLKOJVVDAR-HUUCEWRRSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)cc1C ZINC000408182760 558654550 /nfs/dbraw/zinc/65/45/50/558654550.db2.gz NAAUWLKOJVVDAR-HUUCEWRRSA-N 1 2 367.471 2.459 20 5 FEBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000408446589 558678169 /nfs/dbraw/zinc/67/81/69/558678169.db2.gz NCYVWIMTFKIBBP-MSOLQXFVSA-N 1 2 359.426 2.123 20 5 FEBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000408446589 558678173 /nfs/dbraw/zinc/67/81/73/558678173.db2.gz NCYVWIMTFKIBBP-MSOLQXFVSA-N 1 2 359.426 2.123 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)CCC2 ZINC000411314680 558874942 /nfs/dbraw/zinc/87/49/42/558874942.db2.gz FNNCOCYQFQHAQG-CYBMUJFWSA-N 1 2 371.397 2.040 20 5 FEBDLO COC(=O)[C@]1(C)CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000412067290 559009123 /nfs/dbraw/zinc/00/91/23/559009123.db2.gz MDKCNQSJAABCJZ-MRXNPFEDSA-N 1 2 369.805 2.462 20 5 FEBDLO COC(=O)[C@]1(C)CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000412067290 559009124 /nfs/dbraw/zinc/00/91/24/559009124.db2.gz MDKCNQSJAABCJZ-MRXNPFEDSA-N 1 2 369.805 2.462 20 5 FEBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412203720 559019873 /nfs/dbraw/zinc/01/98/73/559019873.db2.gz GSIDZZYBOSBRGW-HYVNUMGLSA-N 1 2 352.394 2.488 20 5 FEBDLO O=C(NCc1nnc(C2CC2)s1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000412873959 559060857 /nfs/dbraw/zinc/06/08/57/559060857.db2.gz BREHKOUBRAUFCQ-UHFFFAOYSA-N 1 2 370.394 2.439 20 5 FEBDLO COC(=O)[C@]1(C)CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000412899377 559062805 /nfs/dbraw/zinc/06/28/05/559062805.db2.gz NIBNXWNEJRFNGL-GOSISDBHSA-N 1 2 372.381 2.196 20 5 FEBDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413044142 559072282 /nfs/dbraw/zinc/07/22/82/559072282.db2.gz MFDMEYDCKMQDCP-CQSZACIVSA-N 1 2 371.441 2.180 20 5 FEBDLO C[C@@H](O)[C@H]1CCN(c2cc(NCCc3ccc([N+](=O)[O-])cc3)[nH+]cn2)C1 ZINC000413081262 559076036 /nfs/dbraw/zinc/07/60/36/559076036.db2.gz ZDUANCHAKPRKIO-HIFRSBDPSA-N 1 2 357.414 2.247 20 5 FEBDLO C[C@@H](O)[C@H]1CCN(c2cc(NCCc3ccc([N+](=O)[O-])cc3)nc[nH+]2)C1 ZINC000413081262 559076037 /nfs/dbraw/zinc/07/60/37/559076037.db2.gz ZDUANCHAKPRKIO-HIFRSBDPSA-N 1 2 357.414 2.247 20 5 FEBDLO Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c2c([nH+]1)CCCC2 ZINC000414468161 559166605 /nfs/dbraw/zinc/16/66/05/559166605.db2.gz JUAALZFDMCLGBL-UHFFFAOYSA-N 1 2 353.425 2.461 20 5 FEBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416493913 559317516 /nfs/dbraw/zinc/31/75/16/559317516.db2.gz ISRGNTYSBITLEJ-CQSZACIVSA-N 1 2 355.460 2.316 20 5 FEBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416493913 559317517 /nfs/dbraw/zinc/31/75/17/559317517.db2.gz ISRGNTYSBITLEJ-CQSZACIVSA-N 1 2 355.460 2.316 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000417363169 559359277 /nfs/dbraw/zinc/35/92/77/559359277.db2.gz ANCPSOJXWKQOGP-CZUORRHYSA-N 1 2 365.384 2.347 20 5 FEBDLO Cn1ccnc1[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000417363167 559359352 /nfs/dbraw/zinc/35/93/52/559359352.db2.gz ANCPSOJXWKQOGP-BBRMVZONSA-N 1 2 365.384 2.347 20 5 FEBDLO COc1cc(S(=O)(=O)NCc2cc(C)[nH+]c(C)c2)ccc1[N+](=O)[O-] ZINC000420697432 559498866 /nfs/dbraw/zinc/49/88/66/559498866.db2.gz IVMAZNAIUDJKFO-UHFFFAOYSA-N 1 2 351.384 2.094 20 5 FEBDLO COc1ccc(S(=O)(=O)NCc2cc(C)[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC000420698225 559498954 /nfs/dbraw/zinc/49/89/54/559498954.db2.gz KXVNHDDJKNLZHT-UHFFFAOYSA-N 1 2 351.384 2.094 20 5 FEBDLO CCN1CC[NH+](CC(C)(C)NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421549881 559545045 /nfs/dbraw/zinc/54/50/45/559545045.db2.gz HBTGYLLAPAZABG-UHFFFAOYSA-N 1 2 362.474 2.358 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000430240453 559815886 /nfs/dbraw/zinc/81/58/86/559815886.db2.gz OZBJPVHWZHOCQV-MRXNPFEDSA-N 1 2 359.382 2.477 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000430240453 559815887 /nfs/dbraw/zinc/81/58/87/559815887.db2.gz OZBJPVHWZHOCQV-MRXNPFEDSA-N 1 2 359.382 2.477 20 5 FEBDLO Cn1cc[nH+]c1CN1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432319738 559856319 /nfs/dbraw/zinc/85/63/19/559856319.db2.gz IEFFJNJBNCBVQA-UHFFFAOYSA-N 1 2 352.398 2.199 20 5 FEBDLO Cn1ccnc1C[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432319738 559856320 /nfs/dbraw/zinc/85/63/20/559856320.db2.gz IEFFJNJBNCBVQA-UHFFFAOYSA-N 1 2 352.398 2.199 20 5 FEBDLO CCN1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]1c1[nH]cc[nH+]1 ZINC000433107160 559871999 /nfs/dbraw/zinc/87/19/99/559871999.db2.gz XTAKLAJOMHJSCS-HNNXBMFYSA-N 1 2 368.397 2.318 20 5 FEBDLO CCc1ccc(C(=O)N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000433106914 559872056 /nfs/dbraw/zinc/87/20/56/559872056.db2.gz UIBDDNPMHVUYMX-INIZCTEOSA-N 1 2 357.414 2.399 20 5 FEBDLO CC(C)c1[nH+]c2ccccc2n1Cc1noc(Cn2cnc([N+](=O)[O-])n2)n1 ZINC000445656931 560133477 /nfs/dbraw/zinc/13/34/77/560133477.db2.gz KWQOIOHESUHXFN-UHFFFAOYSA-N 1 2 368.357 2.139 20 5 FEBDLO C[C@H](COCC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448811266 560200624 /nfs/dbraw/zinc/20/06/24/560200624.db2.gz KLKOXDZCSJTORW-SNVBAGLBSA-N 1 2 372.303 2.478 20 5 FEBDLO Cn1cc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)C2)cn1 ZINC000449879236 560243822 /nfs/dbraw/zinc/24/38/22/560243822.db2.gz FXYUNRAORFWYRH-AWEZNQCLSA-N 1 2 366.381 2.144 20 5 FEBDLO CCC(CC)(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OC ZINC000450033355 560248614 /nfs/dbraw/zinc/24/86/14/560248614.db2.gz QBOGWUDINCOTLR-UHFFFAOYSA-N 1 2 360.370 2.242 20 5 FEBDLO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCn2cc[nH+]c21 ZINC000450182822 560253187 /nfs/dbraw/zinc/25/31/87/560253187.db2.gz IAUBQZVBTORCGR-CQSZACIVSA-N 1 2 356.382 2.448 20 5 FEBDLO CC(C)c1nnc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])[nH]1 ZINC000450623129 560268373 /nfs/dbraw/zinc/26/83/73/560268373.db2.gz LCCNHGVAYWEGCI-UHFFFAOYSA-N 1 2 360.418 2.281 20 5 FEBDLO CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000451551394 560314261 /nfs/dbraw/zinc/31/42/61/560314261.db2.gz XOVARQIWSFYPSO-MLGOLLRUSA-N 1 2 351.403 2.289 20 5 FEBDLO CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000451551394 560314262 /nfs/dbraw/zinc/31/42/62/560314262.db2.gz XOVARQIWSFYPSO-MLGOLLRUSA-N 1 2 351.403 2.289 20 5 FEBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)cc1OC ZINC000451753232 560326534 /nfs/dbraw/zinc/32/65/34/560326534.db2.gz AMGDIBRFQDVTDY-CDHAZOANSA-N 1 2 368.430 2.220 20 5 FEBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@@H](O)[C@H](OC)C2)cc1OC ZINC000451753232 560326535 /nfs/dbraw/zinc/32/65/35/560326535.db2.gz AMGDIBRFQDVTDY-CDHAZOANSA-N 1 2 368.430 2.220 20 5 FEBDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000451928305 560338143 /nfs/dbraw/zinc/33/81/43/560338143.db2.gz DLNLKOQXMOOLEC-GFCCVEGCSA-N 1 2 352.416 2.468 20 5 FEBDLO CC1(C)CCC[C@@]1(O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452153105 560353951 /nfs/dbraw/zinc/35/39/51/560353951.db2.gz QIODUXIUECGBSC-GOSISDBHSA-N 1 2 358.398 2.452 20 5 FEBDLO CCOCC[N@@H+]1CCN(C(=O)c2c(OCC)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000458075981 560602098 /nfs/dbraw/zinc/60/20/98/560602098.db2.gz GFBVLKHNBCSEMK-AWEZNQCLSA-N 1 2 365.430 2.176 20 5 FEBDLO CCOCC[N@H+]1CCN(C(=O)c2c(OCC)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000458075981 560602099 /nfs/dbraw/zinc/60/20/99/560602099.db2.gz GFBVLKHNBCSEMK-AWEZNQCLSA-N 1 2 365.430 2.176 20 5 FEBDLO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1c[nH+]c[nH]1 ZINC000461465233 560772854 /nfs/dbraw/zinc/77/28/54/560772854.db2.gz NVVDQQOBXAXTIH-UHFFFAOYSA-N 1 2 357.292 2.455 20 5 FEBDLO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1c[nH]c[nH+]1 ZINC000461465233 560772855 /nfs/dbraw/zinc/77/28/55/560772855.db2.gz NVVDQQOBXAXTIH-UHFFFAOYSA-N 1 2 357.292 2.455 20 5 FEBDLO CCOC(=O)CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCC1 ZINC000466280729 560883430 /nfs/dbraw/zinc/88/34/30/560883430.db2.gz MMWXSCJYWMFVTJ-UHFFFAOYSA-N 1 2 372.381 2.338 20 5 FEBDLO C[C@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])Cn1cccn1 ZINC000472352502 561025023 /nfs/dbraw/zinc/02/50/23/561025023.db2.gz ZLVMDEXRIZTCEZ-OAHLLOKOSA-N 1 2 359.430 2.372 20 5 FEBDLO Cn1c2ccccc2[nH+]c1Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000474343084 561071702 /nfs/dbraw/zinc/07/17/02/561071702.db2.gz YKHSMZRXOMOHLU-UHFFFAOYSA-N 1 2 363.171 2.454 20 5 FEBDLO COc1c(C(=O)NCc2[nH+]ccn2CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000475593038 561100595 /nfs/dbraw/zinc/10/05/95/561100595.db2.gz ZOJRXXWYCCBRAA-UHFFFAOYSA-N 1 2 358.276 2.292 20 5 FEBDLO Cc1[nH+]c2ccc(C(=O)N3CCc4ncc([N+](=O)[O-])cc4C3)cc2n1C ZINC000476543967 561122064 /nfs/dbraw/zinc/12/20/64/561122064.db2.gz KIQUPYWMELQILP-UHFFFAOYSA-N 1 2 351.366 2.383 20 5 FEBDLO C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000530466006 562412267 /nfs/dbraw/zinc/41/22/67/562412267.db2.gz BTYLYXHOQPNGJJ-GXFFZTMASA-N 1 2 362.411 2.112 20 5 FEBDLO C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000530466006 562412268 /nfs/dbraw/zinc/41/22/68/562412268.db2.gz BTYLYXHOQPNGJJ-GXFFZTMASA-N 1 2 362.411 2.112 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cn(-c4ccccc4)nn3)C2)nc1 ZINC000533515450 562511316 /nfs/dbraw/zinc/51/13/16/562511316.db2.gz OQZVEEWILPLEKQ-AWEZNQCLSA-N 1 2 365.397 2.257 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cn(-c4ccccc4)nn3)C2)nc1 ZINC000533515450 562511317 /nfs/dbraw/zinc/51/13/17/562511317.db2.gz OQZVEEWILPLEKQ-AWEZNQCLSA-N 1 2 365.397 2.257 20 5 FEBDLO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(OC)c1 ZINC000534336889 562532129 /nfs/dbraw/zinc/53/21/29/562532129.db2.gz XOLYTZLUNVUMQL-UHFFFAOYSA-N 1 2 358.398 2.329 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nc(CN3CCN(Cc4[nH]cc[nH+]4)CC3)co2)cc1 ZINC000535571610 562561824 /nfs/dbraw/zinc/56/18/24/562561824.db2.gz RTRBVKXPQROJBR-UHFFFAOYSA-N 1 2 368.397 2.291 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(c3c[nH+]ccc3C)CC2)c1 ZINC000542020016 562625637 /nfs/dbraw/zinc/62/56/37/562625637.db2.gz UROQKMJCNIPTQM-UHFFFAOYSA-N 1 2 356.382 2.411 20 5 FEBDLO O=C(N1CCCCC1)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000603836884 568159680 /nfs/dbraw/zinc/15/96/80/568159680.db2.gz ZIDXGHBRJIFEDC-UHFFFAOYSA-N 1 2 362.430 2.197 20 5 FEBDLO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809837288 674515157 /nfs/dbraw/zinc/51/51/57/674515157.db2.gz WVADHUVKEKSJCS-SECBINFHSA-N 1 2 365.814 2.150 20 5 FEBDLO C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809837288 674515159 /nfs/dbraw/zinc/51/51/59/674515159.db2.gz WVADHUVKEKSJCS-SECBINFHSA-N 1 2 365.814 2.150 20 5 FEBDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815028490 674901966 /nfs/dbraw/zinc/90/19/66/674901966.db2.gz CRSKSCGXIABHMJ-RKDXNWHRSA-N 1 2 365.814 2.100 20 5 FEBDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815028490 674901968 /nfs/dbraw/zinc/90/19/68/674901968.db2.gz CRSKSCGXIABHMJ-RKDXNWHRSA-N 1 2 365.814 2.100 20 5 FEBDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000815214313 674931172 /nfs/dbraw/zinc/93/11/72/674931172.db2.gz LYVBTCDEOKSXEB-ZDUSSCGKSA-N 1 2 362.304 2.378 20 5 FEBDLO CC[N@H+]1CCO[C@H](C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000815214313 674931173 /nfs/dbraw/zinc/93/11/73/674931173.db2.gz LYVBTCDEOKSXEB-ZDUSSCGKSA-N 1 2 362.304 2.378 20 5 FEBDLO C[C@@H]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)C[C@@H]1n1cc[nH+]c1 ZINC000121521126 671951346 /nfs/dbraw/zinc/95/13/46/671951346.db2.gz PNUKXUBGWHUHNW-PWSUYJOCSA-N 1 2 369.223 2.291 20 5 FEBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000127926730 672043481 /nfs/dbraw/zinc/04/34/81/672043481.db2.gz YRMDNMPOFMWRQT-GFCCVEGCSA-N 1 2 366.849 2.033 20 5 FEBDLO O=[N+]([O-])c1cn(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)nc1-c1ccncc1 ZINC000131121937 672084370 /nfs/dbraw/zinc/08/43/70/672084370.db2.gz PTAHPAGNJZZGOE-ZFWWWQNUSA-N 1 2 361.427 2.017 20 5 FEBDLO O=[N+]([O-])c1cn(C[N@H+]2CCS[C@H]3COCC[C@@H]32)nc1-c1ccncc1 ZINC000131121937 672084375 /nfs/dbraw/zinc/08/43/75/672084375.db2.gz PTAHPAGNJZZGOE-ZFWWWQNUSA-N 1 2 361.427 2.017 20 5 FEBDLO C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000610912388 676005165 /nfs/dbraw/zinc/00/51/65/676005165.db2.gz DPTGJEUAZARSAV-TVQRCGJNSA-N 1 2 361.320 2.063 20 5 FEBDLO C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000610912388 676005168 /nfs/dbraw/zinc/00/51/68/676005168.db2.gz DPTGJEUAZARSAV-TVQRCGJNSA-N 1 2 361.320 2.063 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cn1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000590545831 672588802 /nfs/dbraw/zinc/58/88/02/672588802.db2.gz XSDJVRMLCBKUKV-UHFFFAOYSA-N 1 2 361.427 2.224 20 5 FEBDLO CSC[C@H](CCO)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000611560959 676044457 /nfs/dbraw/zinc/04/44/57/676044457.db2.gz UYRXYXQALMDHDW-ZFWWWQNUSA-N 1 2 350.444 2.121 20 5 FEBDLO C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000612556045 676087593 /nfs/dbraw/zinc/08/75/93/676087593.db2.gz JACWECRWHUNDSF-CABZTGNLSA-N 1 2 361.320 2.063 20 5 FEBDLO C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000612556045 676087596 /nfs/dbraw/zinc/08/75/96/676087596.db2.gz JACWECRWHUNDSF-CABZTGNLSA-N 1 2 361.320 2.063 20 5 FEBDLO COCC1(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCC1 ZINC000463075855 673296304 /nfs/dbraw/zinc/29/63/04/673296304.db2.gz SWGLYBAUQXBGJA-UHFFFAOYSA-N 1 2 353.444 2.231 20 5 FEBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000731662556 673337304 /nfs/dbraw/zinc/33/73/04/673337304.db2.gz PZMMCZLSYSUIKZ-UHFFFAOYSA-N 1 2 355.196 2.045 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(C)c1[N+](=O)[O-] ZINC000598602575 673588512 /nfs/dbraw/zinc/58/85/12/673588512.db2.gz UBIUPPMGGRACEY-CQSZACIVSA-N 1 2 364.427 2.434 20 5 FEBDLO Cn1cc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c([N+](=O)[O-])n1 ZINC000602598279 673908789 /nfs/dbraw/zinc/90/87/89/673908789.db2.gz ARGYFJVXYVACRB-LLVKDONJSA-N 1 2 358.324 2.381 20 5 FEBDLO Cn1cc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c([N+](=O)[O-])n1 ZINC000602598279 673908791 /nfs/dbraw/zinc/90/87/91/673908791.db2.gz ARGYFJVXYVACRB-LLVKDONJSA-N 1 2 358.324 2.381 20 5 FEBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1SC[C@H]1C[N@H+](C)CCO1 ZINC000567381440 675289040 /nfs/dbraw/zinc/28/90/40/675289040.db2.gz WIBLQSSBLFCAJK-SNVBAGLBSA-N 1 2 360.819 2.458 20 5 FEBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1SC[C@H]1C[N@@H+](C)CCO1 ZINC000567381440 675289041 /nfs/dbraw/zinc/28/90/41/675289041.db2.gz WIBLQSSBLFCAJK-SNVBAGLBSA-N 1 2 360.819 2.458 20 5 FEBDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H](C)CO1 ZINC000823252648 675539522 /nfs/dbraw/zinc/53/95/22/675539522.db2.gz DYUSKTZGXITKIL-GHMZBOCLSA-N 1 2 356.810 2.479 20 5 FEBDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H](C)CO1 ZINC000823252648 675539524 /nfs/dbraw/zinc/53/95/24/675539524.db2.gz DYUSKTZGXITKIL-GHMZBOCLSA-N 1 2 356.810 2.479 20 5 FEBDLO Cc1cc(Cl)c(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000826882850 675713039 /nfs/dbraw/zinc/71/30/39/675713039.db2.gz OQKVJVZOJDQQCM-LBPRGKRZSA-N 1 2 353.806 2.103 20 5 FEBDLO CC[NH+](CC)Cc1csc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)n1 ZINC000748714063 679988936 /nfs/dbraw/zinc/98/89/36/679988936.db2.gz DGMUSMLJKKZRNM-UHFFFAOYSA-N 1 2 366.447 2.427 20 5 FEBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000836367303 680458437 /nfs/dbraw/zinc/45/84/37/680458437.db2.gz XEXQFXJUIVKQAI-TXEJJXNPSA-N 1 2 354.794 2.233 20 5 FEBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000836367303 680458440 /nfs/dbraw/zinc/45/84/40/680458440.db2.gz XEXQFXJUIVKQAI-TXEJJXNPSA-N 1 2 354.794 2.233 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1Cl ZINC000836634370 680492823 /nfs/dbraw/zinc/49/28/23/680492823.db2.gz MMLPIFYEHXIYNR-RYUDHWBXSA-N 1 2 355.822 2.396 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1Cl ZINC000836786731 680513907 /nfs/dbraw/zinc/51/39/07/680513907.db2.gz FMVYCXNECHJMNF-QWHCGFSZSA-N 1 2 367.833 2.492 20 5 FEBDLO COCC1(O)CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769451903 680983522 /nfs/dbraw/zinc/98/35/22/680983522.db2.gz PQKWBPPBWIWTHH-UHFFFAOYSA-N 1 2 359.220 2.331 20 5 FEBDLO CC[NH+](CC)Cc1csc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)n1 ZINC000770258655 681010755 /nfs/dbraw/zinc/01/07/55/681010755.db2.gz KWTYTLAHJWFWFU-UHFFFAOYSA-N 1 2 351.388 2.246 20 5 FEBDLO C[C@@H](COC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[NH+]1CCCCC1 ZINC000847961353 681456252 /nfs/dbraw/zinc/45/62/52/681456252.db2.gz VUNBFLAGFQZKEI-LBPRGKRZSA-N 1 2 370.427 2.030 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000778090842 681569945 /nfs/dbraw/zinc/56/99/45/681569945.db2.gz IQXPPHXTPROCOQ-SNVBAGLBSA-N 1 2 370.818 2.046 20 5 FEBDLO O=C(OCCO[C@@H]1CC1(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000849792779 681803537 /nfs/dbraw/zinc/80/35/37/681803537.db2.gz BOFIEGIVQSZUOW-CYBMUJFWSA-N 1 2 353.281 2.362 20 5 FEBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000854185014 682522241 /nfs/dbraw/zinc/52/22/41/682522241.db2.gz NLEAWRFHWVQTDZ-LBPRGKRZSA-N 1 2 354.794 2.187 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cc1Cl ZINC000855408236 682666745 /nfs/dbraw/zinc/66/67/45/682666745.db2.gz RGYUVMVBEHUWEN-RYUDHWBXSA-N 1 2 355.822 2.396 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1Cl ZINC000855408236 682666746 /nfs/dbraw/zinc/66/67/46/682666746.db2.gz RGYUVMVBEHUWEN-RYUDHWBXSA-N 1 2 355.822 2.396 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790745887 682698907 /nfs/dbraw/zinc/69/89/07/682698907.db2.gz LOEKEJVCAPOMAK-SNVBAGLBSA-N 1 2 360.769 2.194 20 5 FEBDLO C[C@@H](C[NH+]1CCN(C)CC1)Nc1cccc(Br)c1[N+](=O)[O-] ZINC000856729805 682799737 /nfs/dbraw/zinc/79/97/37/682799737.db2.gz VMFZQTDPOWOHFX-NSHDSACASA-N 1 2 357.252 2.405 20 5 FEBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCn2c[nH+]cc21 ZINC000857985900 682929995 /nfs/dbraw/zinc/92/99/95/682929995.db2.gz RIMGXCRYCLCVPI-LLVKDONJSA-N 1 2 350.762 2.475 20 5 FEBDLO CO[C@H](C)C[N@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795745577 683088043 /nfs/dbraw/zinc/08/80/43/683088043.db2.gz CZWHHTSELZWEKF-SECBINFHSA-N 1 2 372.219 2.237 20 5 FEBDLO CO[C@H](C)C[N@@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795745577 683088048 /nfs/dbraw/zinc/08/80/48/683088048.db2.gz CZWHHTSELZWEKF-SECBINFHSA-N 1 2 372.219 2.237 20 5 FEBDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000796110848 683129589 /nfs/dbraw/zinc/12/95/89/683129589.db2.gz AFWKJNMEKUDEDR-UHFFFAOYSA-N 1 2 367.452 2.161 20 5 FEBDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000796110848 683129591 /nfs/dbraw/zinc/12/95/91/683129591.db2.gz AFWKJNMEKUDEDR-UHFFFAOYSA-N 1 2 367.452 2.161 20 5 FEBDLO O=C1N[C@H]2CC[N@@H+](Cc3c(Br)cccc3[N+](=O)[O-])C[C@@H]2CO1 ZINC000798957666 683408396 /nfs/dbraw/zinc/40/83/96/683408396.db2.gz KTMZLSCUCZBCJG-SKDRFNHKSA-N 1 2 370.203 2.288 20 5 FEBDLO O=C1N[C@H]2CC[N@H+](Cc3c(Br)cccc3[N+](=O)[O-])C[C@@H]2CO1 ZINC000798957666 683408401 /nfs/dbraw/zinc/40/84/01/683408401.db2.gz KTMZLSCUCZBCJG-SKDRFNHKSA-N 1 2 370.203 2.288 20 5 FEBDLO CSCCC[N@H+](C)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000799159988 683430593 /nfs/dbraw/zinc/43/05/93/683430593.db2.gz NOULGHSZQJSXQF-UHFFFAOYSA-N 1 2 350.444 2.498 20 5 FEBDLO CSCCC[N@@H+](C)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000799159988 683430598 /nfs/dbraw/zinc/43/05/98/683430598.db2.gz NOULGHSZQJSXQF-UHFFFAOYSA-N 1 2 350.444 2.498 20 5 FEBDLO CO[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)[C@](C)(CO)C1 ZINC000931471588 684287781 /nfs/dbraw/zinc/28/77/81/684287781.db2.gz SPSHLHNDFLZJJY-OCCSQVGLSA-N 1 2 359.220 2.329 20 5 FEBDLO CO[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)[C@](C)(CO)C1 ZINC000931471588 684287786 /nfs/dbraw/zinc/28/77/86/684287786.db2.gz SPSHLHNDFLZJJY-OCCSQVGLSA-N 1 2 359.220 2.329 20 5 FEBDLO CC1(C)COCC[N@@H+]1CCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000931844617 684356241 /nfs/dbraw/zinc/35/62/41/684356241.db2.gz DTMSGLZYEKPYSC-UHFFFAOYSA-N 1 2 369.849 2.408 20 5 FEBDLO CC1(C)COCC[N@H+]1CCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000931844617 684356248 /nfs/dbraw/zinc/35/62/48/684356248.db2.gz DTMSGLZYEKPYSC-UHFFFAOYSA-N 1 2 369.849 2.408 20 5 FEBDLO O=C(/C=C/C[NH+]1CCOCC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000868149235 684457651 /nfs/dbraw/zinc/45/76/51/684457651.db2.gz YGLDQPDQPRCQCY-OWOJBTEDSA-N 1 2 370.203 2.184 20 5 FEBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000875116545 685734896 /nfs/dbraw/zinc/73/48/96/685734896.db2.gz HTDRUYWRASOUNL-ZFWWWQNUSA-N 1 2 350.419 2.066 20 5 FEBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000875116545 685734900 /nfs/dbraw/zinc/73/49/00/685734900.db2.gz HTDRUYWRASOUNL-ZFWWWQNUSA-N 1 2 350.419 2.066 20 5 FEBDLO CCOCC[NH+]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900651171 690543589 /nfs/dbraw/zinc/54/35/89/690543589.db2.gz JOJUWCSKZCFNDE-UHFFFAOYSA-N 1 2 359.785 2.182 20 5 FEBDLO C/C(=C/C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000901349808 690638624 /nfs/dbraw/zinc/63/86/24/690638624.db2.gz IGGHURDEMINBJL-RAXLEYEMSA-N 1 2 367.833 2.185 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C(=O)NCc2nc(C[NH+](C)C)cs2)c1F ZINC000906201903 691241711 /nfs/dbraw/zinc/24/17/11/691241711.db2.gz VXERIFPFBAIWPI-UHFFFAOYSA-N 1 2 352.391 2.490 20 5 FEBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000024791125 539740657 /nfs/dbraw/zinc/74/06/57/539740657.db2.gz YSLUQLVIQIHGDD-UHFFFAOYSA-N 1 2 373.365 2.403 20 5 FEBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000024791125 539740660 /nfs/dbraw/zinc/74/06/60/539740660.db2.gz YSLUQLVIQIHGDD-UHFFFAOYSA-N 1 2 373.365 2.403 20 5 FEBDLO CCNC(=O)c1cccc(NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026348258 539784533 /nfs/dbraw/zinc/78/45/33/539784533.db2.gz GANJVHCKTNHLNO-UHFFFAOYSA-N 1 2 370.409 2.415 20 5 FEBDLO CCNC(=O)c1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026348258 539784536 /nfs/dbraw/zinc/78/45/36/539784536.db2.gz GANJVHCKTNHLNO-UHFFFAOYSA-N 1 2 370.409 2.415 20 5 FEBDLO CCOC(=O)c1cc(C(=O)NCc2cn3ccccc3[nH+]2)cc([N+](=O)[O-])c1 ZINC000028833415 539837518 /nfs/dbraw/zinc/83/75/18/539837518.db2.gz DZLMWXOXQGVCKH-UHFFFAOYSA-N 1 2 368.349 2.349 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCc1cn2ccccc2[nH+]1 ZINC000030331170 539879791 /nfs/dbraw/zinc/87/97/91/539879791.db2.gz GFPAKVHJJBQBFM-UHFFFAOYSA-N 1 2 360.395 2.072 20 5 FEBDLO O=C(NC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1)C1CC1 ZINC000030287436 539877678 /nfs/dbraw/zinc/87/76/78/539877678.db2.gz FEWSBCKNXBVDFE-UHFFFAOYSA-N 1 2 371.397 2.135 20 5 FEBDLO COc1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])cc1OC(F)F ZINC000042535587 540066220 /nfs/dbraw/zinc/06/62/20/540066220.db2.gz QBVHRGDOASAJBI-SECBINFHSA-N 1 2 370.312 2.220 20 5 FEBDLO O=C(c1csc([N+](=O)[O-])c1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000045013328 540147009 /nfs/dbraw/zinc/14/70/09/540147009.db2.gz PMTSLPAMTKRGKK-UHFFFAOYSA-N 1 2 371.422 2.262 20 5 FEBDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000049980538 540396128 /nfs/dbraw/zinc/39/61/28/540396128.db2.gz YLMJFBXHLGIQFO-AWEZNQCLSA-N 1 2 364.421 2.257 20 5 FEBDLO C[N@H+](Cc1ccc(F)cc1)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000050784421 540414547 /nfs/dbraw/zinc/41/45/47/540414547.db2.gz GXCCYQPEYFWENB-INIZCTEOSA-N 1 2 357.341 2.498 20 5 FEBDLO C[N@@H+](Cc1ccc(F)cc1)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000050784421 540414550 /nfs/dbraw/zinc/41/45/50/540414550.db2.gz GXCCYQPEYFWENB-INIZCTEOSA-N 1 2 357.341 2.498 20 5 FEBDLO CCCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000051001847 540419030 /nfs/dbraw/zinc/41/90/30/540419030.db2.gz ZDRPNCGLDHMJHQ-AWEZNQCLSA-N 1 2 362.430 2.080 20 5 FEBDLO CCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000051001847 540419033 /nfs/dbraw/zinc/41/90/33/540419033.db2.gz ZDRPNCGLDHMJHQ-AWEZNQCLSA-N 1 2 362.430 2.080 20 5 FEBDLO CCOC(=O)C1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000051159228 540424811 /nfs/dbraw/zinc/42/48/11/540424811.db2.gz GOKIMIDGCZHVIW-UHFFFAOYSA-N 1 2 360.370 2.420 20 5 FEBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000054277720 540580366 /nfs/dbraw/zinc/58/03/66/540580366.db2.gz XFKIXOUCZMLWJW-UHFFFAOYSA-N 1 2 351.366 2.473 20 5 FEBDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000054130037 540571110 /nfs/dbraw/zinc/57/11/10/540571110.db2.gz PWSVFVBYGRKPHF-UHFFFAOYSA-N 1 2 373.384 2.496 20 5 FEBDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cn2c1 ZINC000055296206 540644868 /nfs/dbraw/zinc/64/48/68/540644868.db2.gz DNFJWMQWPWLJMT-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3F)c[nH+]2)CCO1 ZINC000055386892 540650171 /nfs/dbraw/zinc/65/01/71/540650171.db2.gz SKQXLQYKDLANSM-GFCCVEGCSA-N 1 2 374.372 2.284 20 5 FEBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000063575518 541173925 /nfs/dbraw/zinc/17/39/25/541173925.db2.gz FTENNNWMSWVCLQ-UHFFFAOYSA-N 1 2 371.328 2.010 20 5 FEBDLO CC(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000067417576 541461176 /nfs/dbraw/zinc/46/11/76/541461176.db2.gz XHJKQPJGCQBDNC-GFCCVEGCSA-N 1 2 368.821 2.035 20 5 FEBDLO CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000067417576 541461180 /nfs/dbraw/zinc/46/11/80/541461180.db2.gz XHJKQPJGCQBDNC-GFCCVEGCSA-N 1 2 368.821 2.035 20 5 FEBDLO CC(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000067419688 541461447 /nfs/dbraw/zinc/46/14/47/541461447.db2.gz NETWHUPBEHZHHE-GFCCVEGCSA-N 1 2 368.821 2.035 20 5 FEBDLO CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000067419688 541461451 /nfs/dbraw/zinc/46/14/51/541461451.db2.gz NETWHUPBEHZHHE-GFCCVEGCSA-N 1 2 368.821 2.035 20 5 FEBDLO O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000068198006 541561816 /nfs/dbraw/zinc/56/18/16/541561816.db2.gz AQBAHTIXVHFBRV-UHFFFAOYSA-N 1 2 371.393 2.445 20 5 FEBDLO COC(=O)c1cc(C(=O)NCc2cn3c(cccc3C)[nH+]2)cc([N+](=O)[O-])c1 ZINC000068570802 541610395 /nfs/dbraw/zinc/61/03/95/541610395.db2.gz VNAWJAZZBSPCEH-UHFFFAOYSA-N 1 2 368.349 2.268 20 5 FEBDLO CS(=O)(=O)CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000068766680 541625528 /nfs/dbraw/zinc/62/55/28/541625528.db2.gz VSDUMHWCARSQAW-UHFFFAOYSA-N 1 2 361.851 2.169 20 5 FEBDLO C[C@H](CNc1ccc(Br)cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000068901940 541638766 /nfs/dbraw/zinc/63/87/66/541638766.db2.gz TWCSMNDYCSPLFJ-LLVKDONJSA-N 1 2 357.252 2.405 20 5 FEBDLO CCCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000071014696 541757841 /nfs/dbraw/zinc/75/78/41/541757841.db2.gz SRGHHOJRKFNARU-OAHLLOKOSA-N 1 2 356.444 2.393 20 5 FEBDLO CCCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000071014696 541757846 /nfs/dbraw/zinc/75/78/46/541757846.db2.gz SRGHHOJRKFNARU-OAHLLOKOSA-N 1 2 356.444 2.393 20 5 FEBDLO CC(C)OCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000074389453 542077791 /nfs/dbraw/zinc/07/77/91/542077791.db2.gz WUYKVCTYURLSKS-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000075179073 542157903 /nfs/dbraw/zinc/15/79/03/542157903.db2.gz AELHSNYPIHTVFM-CYBMUJFWSA-N 1 2 353.806 2.185 20 5 FEBDLO O=C(C[N@@H+]1CCOc2ccccc2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000077233957 542357803 /nfs/dbraw/zinc/35/78/03/542357803.db2.gz IASIMMDMPDCCRP-UHFFFAOYSA-N 1 2 353.378 2.379 20 5 FEBDLO O=C(C[N@H+]1CCOc2ccccc2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000077233957 542357804 /nfs/dbraw/zinc/35/78/04/542357804.db2.gz IASIMMDMPDCCRP-UHFFFAOYSA-N 1 2 353.378 2.379 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1C ZINC000052781987 221039033 /nfs/dbraw/zinc/03/90/33/221039033.db2.gz SEEKANWQZPXVFD-AWEZNQCLSA-N 1 2 367.427 2.386 20 5 FEBDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000092705461 542882554 /nfs/dbraw/zinc/88/25/54/542882554.db2.gz FZDLZJBTTZWLPZ-ZDUSSCGKSA-N 1 2 351.403 2.103 20 5 FEBDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000092705461 542882557 /nfs/dbraw/zinc/88/25/57/542882557.db2.gz FZDLZJBTTZWLPZ-ZDUSSCGKSA-N 1 2 351.403 2.103 20 5 FEBDLO COc1cc(C[NH+]2CCC(c3nc(C)n[nH]3)CC2)c([N+](=O)[O-])cc1OC ZINC000092736773 542884563 /nfs/dbraw/zinc/88/45/63/542884563.db2.gz IFHAKSIXUAETFZ-UHFFFAOYSA-N 1 2 361.402 2.418 20 5 FEBDLO COc1cc(C[NH+]2CCC(c3n[nH]c(C)n3)CC2)c([N+](=O)[O-])cc1OC ZINC000092736773 542884568 /nfs/dbraw/zinc/88/45/68/542884568.db2.gz IFHAKSIXUAETFZ-UHFFFAOYSA-N 1 2 361.402 2.418 20 5 FEBDLO COc1cc(C[NH+]2CCC(c3nnc(C)[nH]3)CC2)c([N+](=O)[O-])cc1OC ZINC000092736773 542884571 /nfs/dbraw/zinc/88/45/71/542884571.db2.gz IFHAKSIXUAETFZ-UHFFFAOYSA-N 1 2 361.402 2.418 20 5 FEBDLO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000101565153 543033263 /nfs/dbraw/zinc/03/32/63/543033263.db2.gz RJCPNZNBOVMHBP-OAHLLOKOSA-N 1 2 363.414 2.342 20 5 FEBDLO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000101565153 543033265 /nfs/dbraw/zinc/03/32/65/543033265.db2.gz RJCPNZNBOVMHBP-OAHLLOKOSA-N 1 2 363.414 2.342 20 5 FEBDLO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)[NH+]1CCOCC1 ZINC000104774248 543143319 /nfs/dbraw/zinc/14/33/19/543143319.db2.gz HBNYADMLNSIOJD-GHMZBOCLSA-N 1 2 356.810 2.479 20 5 FEBDLO C[C@H]([C@H](C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000104592393 543135677 /nfs/dbraw/zinc/13/56/77/543135677.db2.gz HDKYGJZJLBJGOE-QWHCGFSZSA-N 1 2 362.430 2.008 20 5 FEBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](O)COCc1ccccc1 ZINC000114189651 543506566 /nfs/dbraw/zinc/50/65/66/543506566.db2.gz MWNGEROJUYLURM-MRXNPFEDSA-N 1 2 373.409 2.043 20 5 FEBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](O)COCc1ccccc1 ZINC000114189651 543506569 /nfs/dbraw/zinc/50/65/69/543506569.db2.gz MWNGEROJUYLURM-MRXNPFEDSA-N 1 2 373.409 2.043 20 5 FEBDLO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H](C)C1 ZINC000115725142 543583302 /nfs/dbraw/zinc/58/33/02/543583302.db2.gz KWLUPQNVAWYQGC-HIFRSBDPSA-N 1 2 365.430 2.167 20 5 FEBDLO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H](C)C1 ZINC000115725142 543583305 /nfs/dbraw/zinc/58/33/05/543583305.db2.gz KWLUPQNVAWYQGC-HIFRSBDPSA-N 1 2 365.430 2.167 20 5 FEBDLO C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000125374577 543877652 /nfs/dbraw/zinc/87/76/52/543877652.db2.gz LNFBLPVIDPRSIQ-BLLLJJGKSA-N 1 2 362.361 2.419 20 5 FEBDLO Cc1cc(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000130865052 544168684 /nfs/dbraw/zinc/16/86/84/544168684.db2.gz UENYGSKMUUWTRA-UHFFFAOYSA-N 1 2 370.409 2.149 20 5 FEBDLO CNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000247502035 549346061 /nfs/dbraw/zinc/34/60/61/549346061.db2.gz IHYTYXMYMBTQKS-GHMZBOCLSA-N 1 2 368.821 2.033 20 5 FEBDLO CNC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000247502035 549346063 /nfs/dbraw/zinc/34/60/63/549346063.db2.gz IHYTYXMYMBTQKS-GHMZBOCLSA-N 1 2 368.821 2.033 20 5 FEBDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000135575742 544353775 /nfs/dbraw/zinc/35/37/75/544353775.db2.gz OLGFIASZFBJWGZ-INIZCTEOSA-N 1 2 369.425 2.227 20 5 FEBDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000135575742 544353777 /nfs/dbraw/zinc/35/37/77/544353777.db2.gz OLGFIASZFBJWGZ-INIZCTEOSA-N 1 2 369.425 2.227 20 5 FEBDLO COc1ccccc1C[NH+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000180748039 327700578 /nfs/dbraw/zinc/70/05/78/327700578.db2.gz CNEAHNVJMPYVBV-UHFFFAOYSA-N 1 2 370.409 2.144 20 5 FEBDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000187567303 328033874 /nfs/dbraw/zinc/03/38/74/328033874.db2.gz YHJKCXHYTHWZEC-IAQYHMDHSA-N 1 2 362.407 2.432 20 5 FEBDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000187567303 328033876 /nfs/dbraw/zinc/03/38/76/328033876.db2.gz YHJKCXHYTHWZEC-IAQYHMDHSA-N 1 2 362.407 2.432 20 5 FEBDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000188788802 328110743 /nfs/dbraw/zinc/11/07/43/328110743.db2.gz GFPARPPYWSLYQV-RDJZCZTQSA-N 1 2 360.366 2.353 20 5 FEBDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000188788802 328110744 /nfs/dbraw/zinc/11/07/44/328110744.db2.gz GFPARPPYWSLYQV-RDJZCZTQSA-N 1 2 360.366 2.353 20 5 FEBDLO COCc1noc(CN2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000189620784 328158533 /nfs/dbraw/zinc/15/85/33/328158533.db2.gz NUGPTBGIXOGBNZ-CYBMUJFWSA-N 1 2 361.402 2.003 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000189802433 328168932 /nfs/dbraw/zinc/16/89/32/328168932.db2.gz SLWOCJHMBPTVSE-UHFFFAOYSA-N 1 2 355.460 2.174 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000191324505 328260288 /nfs/dbraw/zinc/26/02/88/328260288.db2.gz HBVJNPFTXRCWES-ZIAGYGMSSA-N 1 2 350.419 2.442 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC000191816100 328283459 /nfs/dbraw/zinc/28/34/59/328283459.db2.gz SUPUXBAGLAVRHU-LBPRGKRZSA-N 1 2 367.356 2.122 20 5 FEBDLO C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000080118629 325118645 /nfs/dbraw/zinc/11/86/45/325118645.db2.gz DUZUNAUFFLQASW-KBPBESRZSA-N 1 2 364.446 2.238 20 5 FEBDLO O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000090703063 325367704 /nfs/dbraw/zinc/36/77/04/325367704.db2.gz XUAWLKFTJONCOD-UHFFFAOYSA-N 1 2 365.393 2.201 20 5 FEBDLO C[NH+]1CCN([C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)c2ccccc2)CC1 ZINC000092548847 325419167 /nfs/dbraw/zinc/41/91/67/325419167.db2.gz FGZQGNZURPKAAW-GOSISDBHSA-N 1 2 370.409 2.228 20 5 FEBDLO CCc1nc(CN2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000093283450 325440731 /nfs/dbraw/zinc/44/07/31/325440731.db2.gz CUTPZEGLLRSJPX-FNORWQNLSA-N 1 2 357.414 2.371 20 5 FEBDLO O=Cc1ccc(OCC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000109265042 325663234 /nfs/dbraw/zinc/66/32/34/325663234.db2.gz QUKPPVLEGXTZHA-ZDUSSCGKSA-N 1 2 358.354 2.263 20 5 FEBDLO COc1cc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000119068355 326123834 /nfs/dbraw/zinc/12/38/34/326123834.db2.gz ALFIVUHMWIESOA-UHFFFAOYSA-N 1 2 363.414 2.056 20 5 FEBDLO COc1cc(C[N@H+]2CCCN(C(=O)C3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000119068355 326123836 /nfs/dbraw/zinc/12/38/36/326123836.db2.gz ALFIVUHMWIESOA-UHFFFAOYSA-N 1 2 363.414 2.056 20 5 FEBDLO CN(CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1[N+](=O)[O-] ZINC000119962591 326215938 /nfs/dbraw/zinc/21/59/38/326215938.db2.gz NCOQKWWOADRACV-HNNXBMFYSA-N 1 2 371.441 2.246 20 5 FEBDLO COc1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])cc1OC ZINC000120314572 326248957 /nfs/dbraw/zinc/24/89/57/326248957.db2.gz LAQYJSMPWGQLFU-UHFFFAOYSA-N 1 2 360.370 2.286 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000120324609 326249418 /nfs/dbraw/zinc/24/94/18/326249418.db2.gz UKQQYQUZTCYWJQ-UHFFFAOYSA-N 1 2 358.807 2.122 20 5 FEBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121515873 326344841 /nfs/dbraw/zinc/34/48/41/326344841.db2.gz WQAOGPGODDHFCK-OAHLLOKOSA-N 1 2 356.382 2.349 20 5 FEBDLO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1OC ZINC000153637536 326738216 /nfs/dbraw/zinc/73/82/16/326738216.db2.gz PZBNQQVDVRCHRT-GFCCVEGCSA-N 1 2 362.386 2.265 20 5 FEBDLO Cc1c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000161204527 326991556 /nfs/dbraw/zinc/99/15/56/326991556.db2.gz AAYOAXJMJPFVIU-LBPRGKRZSA-N 1 2 371.353 2.215 20 5 FEBDLO NC(=O)CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000170738423 327096000 /nfs/dbraw/zinc/09/60/00/327096000.db2.gz KPECWBAGIHBAJZ-LLVKDONJSA-N 1 2 368.821 2.164 20 5 FEBDLO NC(=O)CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000170738423 327096002 /nfs/dbraw/zinc/09/60/02/327096002.db2.gz KPECWBAGIHBAJZ-LLVKDONJSA-N 1 2 368.821 2.164 20 5 FEBDLO COCCc1noc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000174240962 327315100 /nfs/dbraw/zinc/31/51/00/327315100.db2.gz VJXGZNGEEFXNDX-UHFFFAOYSA-N 1 2 362.386 2.210 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175207522 327380019 /nfs/dbraw/zinc/38/00/19/327380019.db2.gz NPSMZXKUPQQKSM-WDEREUQCSA-N 1 2 368.821 2.163 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175207522 327380021 /nfs/dbraw/zinc/38/00/21/327380021.db2.gz NPSMZXKUPQQKSM-WDEREUQCSA-N 1 2 368.821 2.163 20 5 FEBDLO Nc1c(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000175757621 327410825 /nfs/dbraw/zinc/41/08/25/327410825.db2.gz RTHTWCLUHRFZPO-UHFFFAOYSA-N 1 2 370.409 2.014 20 5 FEBDLO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000265463879 329129806 /nfs/dbraw/zinc/12/98/06/329129806.db2.gz HHHSEARJXRCTOC-ZJUUUORDSA-N 1 2 353.400 2.088 20 5 FEBDLO C[C@@H]1[C@H](C)SCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000265463879 329129808 /nfs/dbraw/zinc/12/98/08/329129808.db2.gz HHHSEARJXRCTOC-ZJUUUORDSA-N 1 2 353.400 2.088 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000265476354 329131087 /nfs/dbraw/zinc/13/10/87/329131087.db2.gz QZEIKMSIXKANNS-UHFFFAOYSA-N 1 2 370.409 2.025 20 5 FEBDLO COc1cc(C(=O)NCc2cn3c([nH+]2)CCCC3)cc([N+](=O)[O-])c1OC ZINC000265923371 329173041 /nfs/dbraw/zinc/17/30/41/329173041.db2.gz CTIJLHBPWUKBLO-UHFFFAOYSA-N 1 2 360.370 2.075 20 5 FEBDLO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000267235595 329305378 /nfs/dbraw/zinc/30/53/78/329305378.db2.gz LXFBJXMPFGFBLB-MNOVXSKESA-N 1 2 373.251 2.034 20 5 FEBDLO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@H+]1C[C@@H](C)O ZINC000267235595 329305380 /nfs/dbraw/zinc/30/53/80/329305380.db2.gz LXFBJXMPFGFBLB-MNOVXSKESA-N 1 2 373.251 2.034 20 5 FEBDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000270050950 329570946 /nfs/dbraw/zinc/57/09/46/329570946.db2.gz LZRMCIWSUQZDPY-GFCCVEGCSA-N 1 2 353.386 2.294 20 5 FEBDLO O=[N+]([O-])c1cc(C[NH+]2CCN(c3cncc(F)c3)CC2)c2c(c1)COCO2 ZINC000270965446 329649575 /nfs/dbraw/zinc/64/95/75/329649575.db2.gz VMZZLBUNDQKSLT-UHFFFAOYSA-N 1 2 374.372 2.318 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1nnc(C)s1 ZINC000273538088 329872824 /nfs/dbraw/zinc/87/28/24/329872824.db2.gz DMIKOUCKSVZHBM-RKDXNWHRSA-N 1 2 365.415 2.441 20 5 FEBDLO CSc1ccc(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000367242470 330235193 /nfs/dbraw/zinc/23/51/93/330235193.db2.gz ANGHOLKNXQJIDF-AWEZNQCLSA-N 1 2 358.423 2.498 20 5 FEBDLO Cc1c([C@@H]2CCC[N@@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cnn1C ZINC000367268839 330238940 /nfs/dbraw/zinc/23/89/40/330238940.db2.gz CNWFBVPMPHPQCC-KRWDZBQOSA-N 1 2 369.425 2.363 20 5 FEBDLO Cc1c([C@@H]2CCC[N@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cnn1C ZINC000367268839 330238941 /nfs/dbraw/zinc/23/89/41/330238941.db2.gz CNWFBVPMPHPQCC-KRWDZBQOSA-N 1 2 369.425 2.363 20 5 FEBDLO O=C(CC[N@@H+]1CCNC(=O)[C@@H]1c1cccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411377876 330255695 /nfs/dbraw/zinc/25/56/95/330255695.db2.gz DXQOINNERDKCNJ-INIZCTEOSA-N 1 2 374.422 2.158 20 5 FEBDLO O=C(CC[N@H+]1CCNC(=O)[C@@H]1c1cccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411377876 330255696 /nfs/dbraw/zinc/25/56/96/330255696.db2.gz DXQOINNERDKCNJ-INIZCTEOSA-N 1 2 374.422 2.158 20 5 FEBDLO Cc1cc(S(=O)(=O)NCCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000172016391 546233092 /nfs/dbraw/zinc/23/30/92/546233092.db2.gz BGHLWDPTTJDYLX-UHFFFAOYSA-N 1 2 360.395 2.072 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176422068 546443809 /nfs/dbraw/zinc/44/38/09/546443809.db2.gz KRCXDWSJXYQGJR-UHFFFAOYSA-N 1 2 350.400 2.161 20 5 FEBDLO C[NH+](C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1c(F)cccc1F ZINC000178200918 546757070 /nfs/dbraw/zinc/75/70/70/546757070.db2.gz ITTDLSCQFHLPHR-AWEZNQCLSA-N 1 2 364.352 2.488 20 5 FEBDLO C[C@@]1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCC[C@H]1O ZINC000178246189 546763283 /nfs/dbraw/zinc/76/32/83/546763283.db2.gz FTTMFKDPDIMMIY-AEFFLSMTSA-N 1 2 358.398 2.452 20 5 FEBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000481341164 561231078 /nfs/dbraw/zinc/23/10/78/561231078.db2.gz PCMNHOUCTVPNMD-JTQLQIEISA-N 1 2 368.353 2.260 20 5 FEBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000481341164 561231079 /nfs/dbraw/zinc/23/10/79/561231079.db2.gz PCMNHOUCTVPNMD-JTQLQIEISA-N 1 2 368.353 2.260 20 5 FEBDLO Cc1nsc(N2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)n1 ZINC000482688734 561258506 /nfs/dbraw/zinc/25/85/06/561258506.db2.gz CNZACXUWQSYEFZ-UHFFFAOYSA-N 1 2 373.442 2.343 20 5 FEBDLO Cc1nsc(N2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)n1 ZINC000482688734 561258507 /nfs/dbraw/zinc/25/85/07/561258507.db2.gz CNZACXUWQSYEFZ-UHFFFAOYSA-N 1 2 373.442 2.343 20 5 FEBDLO CCCCC[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000181403563 547309090 /nfs/dbraw/zinc/30/90/90/547309090.db2.gz MLLYCTSWPMXXAI-UHFFFAOYSA-N 1 2 355.460 2.311 20 5 FEBDLO CCOC[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000182246793 547460103 /nfs/dbraw/zinc/46/01/03/547460103.db2.gz IQZMAQJSWNJZCT-AWEZNQCLSA-N 1 2 356.444 2.117 20 5 FEBDLO CCOC[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000182246793 547460106 /nfs/dbraw/zinc/46/01/06/547460106.db2.gz IQZMAQJSWNJZCT-AWEZNQCLSA-N 1 2 356.444 2.117 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c(Cl)c1 ZINC000182243365 547460368 /nfs/dbraw/zinc/46/03/68/547460368.db2.gz IICZPDFLJWVBAD-CQSZACIVSA-N 1 2 373.862 2.248 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c(Cl)c1 ZINC000182243365 547460373 /nfs/dbraw/zinc/46/03/73/547460373.db2.gz IICZPDFLJWVBAD-CQSZACIVSA-N 1 2 373.862 2.248 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2cn3ccccc3[nH+]2)c1C ZINC000483819765 561284676 /nfs/dbraw/zinc/28/46/76/561284676.db2.gz RQXCAVOUYIJGKZ-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cc(OC)ncn2)CC1 ZINC000184075076 547765294 /nfs/dbraw/zinc/76/52/94/547765294.db2.gz TYRFSNFULUWFEB-UHFFFAOYSA-N 1 2 373.413 2.114 20 5 FEBDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184244956 547793429 /nfs/dbraw/zinc/79/34/29/547793429.db2.gz WPFMFMCKGSTLLI-LBPRGKRZSA-N 1 2 355.366 2.453 20 5 FEBDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184244956 547793435 /nfs/dbraw/zinc/79/34/35/547793435.db2.gz WPFMFMCKGSTLLI-LBPRGKRZSA-N 1 2 355.366 2.453 20 5 FEBDLO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000184685156 547864998 /nfs/dbraw/zinc/86/49/98/547864998.db2.gz QMRFAVTUWNLWHD-UHFFFAOYSA-N 1 2 371.393 2.427 20 5 FEBDLO CC1CCN(c2ccc(CNC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)c[nH+]2)CC1 ZINC000186953702 548227704 /nfs/dbraw/zinc/22/77/04/548227704.db2.gz KWGROZPZDATDBQ-UHFFFAOYSA-N 1 2 371.397 2.257 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000245409705 548910675 /nfs/dbraw/zinc/91/06/75/548910675.db2.gz NPSMZXKUPQQKSM-MNOVXSKESA-N 1 2 368.821 2.163 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000245409705 548910676 /nfs/dbraw/zinc/91/06/76/548910676.db2.gz NPSMZXKUPQQKSM-MNOVXSKESA-N 1 2 368.821 2.163 20 5 FEBDLO Cn1cc([C@H]2CCC[N@@H+]2[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000245449737 548923944 /nfs/dbraw/zinc/92/39/44/548923944.db2.gz OAAHQDWPIKOONF-SJORKVTESA-N 1 2 355.398 2.271 20 5 FEBDLO Cn1cc([C@H]2CCC[N@H+]2[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000245449737 548923949 /nfs/dbraw/zinc/92/39/49/548923949.db2.gz OAAHQDWPIKOONF-SJORKVTESA-N 1 2 355.398 2.271 20 5 FEBDLO Cn1cc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245573856 548950445 /nfs/dbraw/zinc/95/04/45/548950445.db2.gz YYUZKLCOFVYKCM-DLBZAZTESA-N 1 2 369.425 2.238 20 5 FEBDLO Cn1cc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245573856 548950447 /nfs/dbraw/zinc/95/04/47/548950447.db2.gz YYUZKLCOFVYKCM-DLBZAZTESA-N 1 2 369.425 2.238 20 5 FEBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)[C@H]2C1 ZINC000246433204 549132204 /nfs/dbraw/zinc/13/22/04/549132204.db2.gz INBJSDZENFNCEA-OWCLPIDISA-N 1 2 374.397 2.413 20 5 FEBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)[C@H]2C1 ZINC000246433204 549132209 /nfs/dbraw/zinc/13/22/09/549132209.db2.gz INBJSDZENFNCEA-OWCLPIDISA-N 1 2 374.397 2.413 20 5 FEBDLO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000247358505 549323484 /nfs/dbraw/zinc/32/34/84/549323484.db2.gz DLRBDCPNMSBTQX-UHFFFAOYSA-N 1 2 365.393 2.429 20 5 FEBDLO CN1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000248458631 549443416 /nfs/dbraw/zinc/44/34/16/549443416.db2.gz NCJQHAJSCSQYQG-PKOBYXMFSA-N 1 2 371.437 2.323 20 5 FEBDLO CN1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000248458631 549443420 /nfs/dbraw/zinc/44/34/20/549443420.db2.gz NCJQHAJSCSQYQG-PKOBYXMFSA-N 1 2 371.437 2.323 20 5 FEBDLO C[N@@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000249837235 549632389 /nfs/dbraw/zinc/63/23/89/549632389.db2.gz XDWOBPXIIDQPQP-QGZVFWFLSA-N 1 2 361.423 2.272 20 5 FEBDLO C[N@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000249837235 549632393 /nfs/dbraw/zinc/63/23/93/549632393.db2.gz XDWOBPXIIDQPQP-QGZVFWFLSA-N 1 2 361.423 2.272 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000262392163 549816543 /nfs/dbraw/zinc/81/65/43/549816543.db2.gz OIMSOUIDUQNMKJ-INIZCTEOSA-N 1 2 370.409 2.480 20 5 FEBDLO Cc1nnc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000268443047 550066656 /nfs/dbraw/zinc/06/66/56/550066656.db2.gz HLLVLMYIWCDUSW-YPMHNXCESA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1nnc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000268443047 550066659 /nfs/dbraw/zinc/06/66/59/550066659.db2.gz HLLVLMYIWCDUSW-YPMHNXCESA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000268443047 550066662 /nfs/dbraw/zinc/06/66/62/550066662.db2.gz HLLVLMYIWCDUSW-YPMHNXCESA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000268443047 550066665 /nfs/dbraw/zinc/06/66/65/550066665.db2.gz HLLVLMYIWCDUSW-YPMHNXCESA-N 1 2 358.402 2.228 20 5 FEBDLO CCc1n[nH]c(C(=O)N(C)[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1[N+](=O)[O-] ZINC000492537912 561451728 /nfs/dbraw/zinc/45/17/28/561451728.db2.gz KEMOKHIQWQVVRM-AWEZNQCLSA-N 1 2 354.370 2.465 20 5 FEBDLO Cc1cc(N2CCC(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)nc(C)[nH+]1 ZINC000269135180 550159066 /nfs/dbraw/zinc/15/90/66/550159066.db2.gz CSCXZMKUGDVWNQ-UHFFFAOYSA-N 1 2 371.397 2.106 20 5 FEBDLO COc1cc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc([N+](=O)[O-])c1OC ZINC000269878549 550233140 /nfs/dbraw/zinc/23/31/40/550233140.db2.gz WOYJKRSSXZAGJO-ZDUSSCGKSA-N 1 2 372.381 2.016 20 5 FEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C ZINC000493767067 561458106 /nfs/dbraw/zinc/45/81/06/561458106.db2.gz LVWDWPOQWUCQRA-ZIAGYGMSSA-N 1 2 355.460 2.315 20 5 FEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C ZINC000493767067 561458107 /nfs/dbraw/zinc/45/81/07/561458107.db2.gz LVWDWPOQWUCQRA-ZIAGYGMSSA-N 1 2 355.460 2.315 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H]1c1ccncc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271024312 550332602 /nfs/dbraw/zinc/33/26/02/550332602.db2.gz OQLYEWVSTAOJOW-AWEZNQCLSA-N 1 2 370.365 2.494 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H]1c1ccncc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271024312 550332604 /nfs/dbraw/zinc/33/26/04/550332604.db2.gz OQLYEWVSTAOJOW-AWEZNQCLSA-N 1 2 370.365 2.494 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000271714011 550397086 /nfs/dbraw/zinc/39/70/86/550397086.db2.gz PXZWSCKPJRTCFO-CYBMUJFWSA-N 1 2 350.419 2.066 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000271714011 550397087 /nfs/dbraw/zinc/39/70/87/550397087.db2.gz PXZWSCKPJRTCFO-CYBMUJFWSA-N 1 2 350.419 2.066 20 5 FEBDLO CC(C)N1C[C@@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000272544240 550456919 /nfs/dbraw/zinc/45/69/19/550456919.db2.gz PSEYXYYCMCJZSP-YOEHRIQHSA-N 1 2 357.414 2.017 20 5 FEBDLO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272588064 550459128 /nfs/dbraw/zinc/45/91/28/550459128.db2.gz ZMXCNZHFUSGHRS-KCPJHIHWSA-N 1 2 350.444 2.120 20 5 FEBDLO Cc1nc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000273324531 550494358 /nfs/dbraw/zinc/49/43/58/550494358.db2.gz RUGKFOGMEUXSGX-SNVBAGLBSA-N 1 2 355.441 2.484 20 5 FEBDLO CC(C)(C)[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000273413586 550497638 /nfs/dbraw/zinc/49/76/38/550497638.db2.gz QVEZXLOTPLUKDH-CVEARBPZSA-N 1 2 370.471 2.097 20 5 FEBDLO CC(C)(C)[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000273413586 550497639 /nfs/dbraw/zinc/49/76/39/550497639.db2.gz QVEZXLOTPLUKDH-CVEARBPZSA-N 1 2 370.471 2.097 20 5 FEBDLO CC(C)NC(=O)c1ccc(NCC2([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000277346747 550659152 /nfs/dbraw/zinc/65/91/52/550659152.db2.gz FYELAXWUESBOOY-UHFFFAOYSA-N 1 2 362.430 2.010 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]nc(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)c2c1 ZINC000278152567 550754933 /nfs/dbraw/zinc/75/49/33/550754933.db2.gz SUPKFHHCXAEPAJ-BXUZGUMPSA-N 1 2 370.369 2.447 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]nc(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)c2c1 ZINC000278152567 550754935 /nfs/dbraw/zinc/75/49/35/550754935.db2.gz SUPKFHHCXAEPAJ-BXUZGUMPSA-N 1 2 370.369 2.447 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000495462074 561488532 /nfs/dbraw/zinc/48/85/32/561488532.db2.gz GMAIMAYXXLCHNT-CQSZACIVSA-N 1 2 358.398 2.333 20 5 FEBDLO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282205922 551195142 /nfs/dbraw/zinc/19/51/42/551195142.db2.gz GEAFOEXNBDMDCR-AWEZNQCLSA-N 1 2 372.429 2.120 20 5 FEBDLO Cc1cc(F)c(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000283668977 551406398 /nfs/dbraw/zinc/40/63/98/551406398.db2.gz DUBROVMKTSEUKU-CYBMUJFWSA-N 1 2 366.393 2.371 20 5 FEBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](CCCCCF)CC1 ZINC000284107201 551484892 /nfs/dbraw/zinc/48/48/92/551484892.db2.gz MWIRVSFESITQAZ-UHFFFAOYSA-N 1 2 359.423 2.041 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000284382200 551537388 /nfs/dbraw/zinc/53/73/88/551537388.db2.gz FNYPIGNWPSNKRF-CVEARBPZSA-N 1 2 354.428 2.012 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000284382200 551537390 /nfs/dbraw/zinc/53/73/90/551537390.db2.gz FNYPIGNWPSNKRF-CVEARBPZSA-N 1 2 354.428 2.012 20 5 FEBDLO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285310717 551735956 /nfs/dbraw/zinc/73/59/56/551735956.db2.gz MUWAEVJITUNBNN-MRVPVSSYSA-N 1 2 367.274 2.373 20 5 FEBDLO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285310717 551735958 /nfs/dbraw/zinc/73/59/58/551735958.db2.gz MUWAEVJITUNBNN-MRVPVSSYSA-N 1 2 367.274 2.373 20 5 FEBDLO CN(C)C(=O)Cc1nc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000285363152 551743911 /nfs/dbraw/zinc/74/39/11/551743911.db2.gz QLCLGCHOZLDWBW-UHFFFAOYSA-N 1 2 362.455 2.357 20 5 FEBDLO CN(C)C(=O)Cc1nc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000285363152 551743914 /nfs/dbraw/zinc/74/39/14/551743914.db2.gz QLCLGCHOZLDWBW-UHFFFAOYSA-N 1 2 362.455 2.357 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285748656 551804868 /nfs/dbraw/zinc/80/48/68/551804868.db2.gz WKRCXWSOZHFQIR-CYBMUJFWSA-N 1 2 355.398 2.445 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285748656 551804870 /nfs/dbraw/zinc/80/48/70/551804870.db2.gz WKRCXWSOZHFQIR-CYBMUJFWSA-N 1 2 355.398 2.445 20 5 FEBDLO O=[N+]([O-])c1cc2c(ncnc2NCc2ccc(N3CCOCC3)[nH+]c2)s1 ZINC000286004558 551837330 /nfs/dbraw/zinc/83/73/30/551837330.db2.gz DRCMKEVLLTZUBF-UHFFFAOYSA-N 1 2 372.410 2.443 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000287436432 552003815 /nfs/dbraw/zinc/00/38/15/552003815.db2.gz QWDJROVHDYSHIO-HOCLYGCPSA-N 1 2 361.442 2.455 20 5 FEBDLO COc1cc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)cc([N+](=O)[O-])c1C ZINC000288993676 552249175 /nfs/dbraw/zinc/24/91/75/552249175.db2.gz JEPLVWRTGJAURI-HNNXBMFYSA-N 1 2 360.370 2.498 20 5 FEBDLO COc1cc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)cc([N+](=O)[O-])c1C ZINC000288993676 552249179 /nfs/dbraw/zinc/24/91/79/552249179.db2.gz JEPLVWRTGJAURI-HNNXBMFYSA-N 1 2 360.370 2.498 20 5 FEBDLO COc1cc(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)ccc1[N+](=O)[O-] ZINC000500647230 561578584 /nfs/dbraw/zinc/57/85/84/561578584.db2.gz AIHCJBAMZUNZBF-UHFFFAOYSA-N 1 2 356.382 2.269 20 5 FEBDLO COCC[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000292014783 552684749 /nfs/dbraw/zinc/68/47/49/552684749.db2.gz UVPUBIWGXGVVDR-UHFFFAOYSA-N 1 2 362.213 2.306 20 5 FEBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000292996538 552778877 /nfs/dbraw/zinc/77/88/77/552778877.db2.gz CNROPGDIPUEPHD-SFHVURJKSA-N 1 2 373.384 2.225 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c(Cl)c1 ZINC000293115274 552790174 /nfs/dbraw/zinc/79/01/74/552790174.db2.gz YTBYOUNGPXIESD-CQSZACIVSA-N 1 2 351.794 2.169 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c(Cl)c1 ZINC000293115274 552790175 /nfs/dbraw/zinc/79/01/75/552790175.db2.gz YTBYOUNGPXIESD-CQSZACIVSA-N 1 2 351.794 2.169 20 5 FEBDLO Cc1cc(Cl)c(C(=O)NCC[N@@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000295298989 552983734 /nfs/dbraw/zinc/98/37/34/552983734.db2.gz QVWLKOSFBLXKNA-UHFFFAOYSA-N 1 2 355.822 2.397 20 5 FEBDLO Cc1cc(Cl)c(C(=O)NCC[N@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000295298989 552983735 /nfs/dbraw/zinc/98/37/35/552983735.db2.gz QVWLKOSFBLXKNA-UHFFFAOYSA-N 1 2 355.822 2.397 20 5 FEBDLO Cc1cc(F)c(NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000296843935 553219119 /nfs/dbraw/zinc/21/91/19/553219119.db2.gz UFGNKDZLFODDJD-RYUDHWBXSA-N 1 2 354.382 2.273 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000297546398 553306845 /nfs/dbraw/zinc/30/68/45/553306845.db2.gz QKEQUZMITMRLQM-ZDUSSCGKSA-N 1 2 350.400 2.453 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000503202842 561636575 /nfs/dbraw/zinc/63/65/75/561636575.db2.gz GUPHNKFISBPBTN-HNNXBMFYSA-N 1 2 353.382 2.021 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000298084092 553382122 /nfs/dbraw/zinc/38/21/22/553382122.db2.gz PVLZHTRKVSUKFM-UHFFFAOYSA-N 1 2 356.382 2.065 20 5 FEBDLO C[C@@]12CC[N@H+](CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@@H]1C2(F)F ZINC000298297980 553409421 /nfs/dbraw/zinc/40/94/21/553409421.db2.gz PLDLXOPCQSLKCB-DZGCQCFKSA-N 1 2 369.324 2.239 20 5 FEBDLO C[C@@]12CC[N@@H+](CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@@H]1C2(F)F ZINC000298297980 553409423 /nfs/dbraw/zinc/40/94/23/553409423.db2.gz PLDLXOPCQSLKCB-DZGCQCFKSA-N 1 2 369.324 2.239 20 5 FEBDLO COC(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000298822796 553477505 /nfs/dbraw/zinc/47/75/05/553477505.db2.gz ZZGYMSLFXGEIKH-ZJUUUORDSA-N 1 2 355.778 2.070 20 5 FEBDLO COC(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000298822796 553477508 /nfs/dbraw/zinc/47/75/08/553477508.db2.gz ZZGYMSLFXGEIKH-ZJUUUORDSA-N 1 2 355.778 2.070 20 5 FEBDLO CCc1cc(NCC[NH+]2CCN(C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299058346 553509900 /nfs/dbraw/zinc/50/99/00/553509900.db2.gz KTEISTKSCWBDPF-UHFFFAOYSA-N 1 2 370.457 2.274 20 5 FEBDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000301201757 553630601 /nfs/dbraw/zinc/63/06/01/553630601.db2.gz PQIXUODWZPDWIE-ZDUSSCGKSA-N 1 2 364.421 2.303 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000301858763 553686023 /nfs/dbraw/zinc/68/60/23/553686023.db2.gz DSSIZBOXSZAIDR-UHFFFAOYSA-N 1 2 357.395 2.495 20 5 FEBDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000505205933 561668005 /nfs/dbraw/zinc/66/80/05/561668005.db2.gz XTOCQEHQWARRFL-HNNXBMFYSA-N 1 2 355.822 2.365 20 5 FEBDLO CCCC[N@H+]1CCOC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000505205933 561668006 /nfs/dbraw/zinc/66/80/06/561668006.db2.gz XTOCQEHQWARRFL-HNNXBMFYSA-N 1 2 355.822 2.365 20 5 FEBDLO Cc1cc(Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])ccc1[NH+](C)C ZINC000302139662 553706591 /nfs/dbraw/zinc/70/65/91/553706591.db2.gz OKAPVLFHTUPOFT-UHFFFAOYSA-N 1 2 350.400 2.360 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c1 ZINC000302757262 553731044 /nfs/dbraw/zinc/73/10/44/553731044.db2.gz IYLPSXXFPLVXLT-HNNXBMFYSA-N 1 2 360.370 2.055 20 5 FEBDLO Cc1[nH]nc2ncc(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)cc12 ZINC000505560651 561674095 /nfs/dbraw/zinc/67/40/95/561674095.db2.gz VOKDPKDSQZJEDZ-UHFFFAOYSA-N 1 2 352.398 2.497 20 5 FEBDLO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH+](CCOc2ccccc2)CC1 ZINC000506111647 561690883 /nfs/dbraw/zinc/69/08/83/561690883.db2.gz DNMUWKGLMVWDGH-UHFFFAOYSA-N 1 2 357.410 2.497 20 5 FEBDLO CC(C)c1n[nH]c(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000332114414 554383045 /nfs/dbraw/zinc/38/30/45/554383045.db2.gz USTKAJYHAYADNU-UHFFFAOYSA-N 1 2 360.418 2.270 20 5 FEBDLO CC(C)c1[nH]nc(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000332114414 554383049 /nfs/dbraw/zinc/38/30/49/554383049.db2.gz USTKAJYHAYADNU-UHFFFAOYSA-N 1 2 360.418 2.270 20 5 FEBDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000332243784 554408391 /nfs/dbraw/zinc/40/83/91/554408391.db2.gz AEGCXGAGNFJQKJ-UHFFFAOYSA-N 1 2 368.390 2.087 20 5 FEBDLO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3COCC[N@@H+]3C3CCCC3)n2)n1C ZINC000350277493 554775750 /nfs/dbraw/zinc/77/57/50/554775750.db2.gz ZHDYCSLHUPYRCL-GFCCVEGCSA-N 1 2 362.390 2.003 20 5 FEBDLO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3COCC[N@H+]3C3CCCC3)n2)n1C ZINC000350277493 554775752 /nfs/dbraw/zinc/77/57/52/554775752.db2.gz ZHDYCSLHUPYRCL-GFCCVEGCSA-N 1 2 362.390 2.003 20 5 FEBDLO CNC(=O)c1ccc(N[C@@H]2CCCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000361799105 554935350 /nfs/dbraw/zinc/93/53/50/554935350.db2.gz OZDCNMGMBFFAIC-CQSZACIVSA-N 1 2 355.398 2.430 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000363810895 555190967 /nfs/dbraw/zinc/19/09/67/555190967.db2.gz COBKWFZISRNSGS-MJGOQNOKSA-N 1 2 374.393 2.114 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000363810895 555190969 /nfs/dbraw/zinc/19/09/69/555190969.db2.gz COBKWFZISRNSGS-MJGOQNOKSA-N 1 2 374.393 2.114 20 5 FEBDLO CN(C(=O)COc1ccccc1[N+](=O)[O-])C1CCN(c2cccc[nH+]2)CC1 ZINC000364095524 555248865 /nfs/dbraw/zinc/24/88/65/555248865.db2.gz OEFRQMCCBCKNJK-UHFFFAOYSA-N 1 2 370.409 2.496 20 5 FEBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3nnc(C4CC4)n3C3CC3)C2)c1 ZINC000364344311 555295431 /nfs/dbraw/zinc/29/54/31/555295431.db2.gz QQCSCPVGHIMHGV-AWEZNQCLSA-N 1 2 357.418 2.432 20 5 FEBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3nnc(C4CC4)n3C3CC3)C2)c1 ZINC000364344311 555295432 /nfs/dbraw/zinc/29/54/32/555295432.db2.gz QQCSCPVGHIMHGV-AWEZNQCLSA-N 1 2 357.418 2.432 20 5 FEBDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000364568522 555341072 /nfs/dbraw/zinc/34/10/72/555341072.db2.gz LYVJEHGKWBPCHK-UHFFFAOYSA-N 1 2 368.390 2.087 20 5 FEBDLO CC(C)n1nc2c(cc1=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000364760379 555395377 /nfs/dbraw/zinc/39/53/77/555395377.db2.gz PYAMHRSDVGBKLN-UHFFFAOYSA-N 1 2 373.369 2.199 20 5 FEBDLO CC(C)n1nc2c(cc1=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000364760379 555395380 /nfs/dbraw/zinc/39/53/80/555395380.db2.gz PYAMHRSDVGBKLN-UHFFFAOYSA-N 1 2 373.369 2.199 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512802399 561915841 /nfs/dbraw/zinc/91/58/41/561915841.db2.gz SUKIQSVSPXVFAE-SNVBAGLBSA-N 1 2 359.329 2.103 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512802399 561915842 /nfs/dbraw/zinc/91/58/42/561915842.db2.gz SUKIQSVSPXVFAE-SNVBAGLBSA-N 1 2 359.329 2.103 20 5 FEBDLO Cc1n[nH]c(C2CC[NH+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000365111153 555487957 /nfs/dbraw/zinc/48/79/57/555487957.db2.gz VARQCQDWULPNOU-LLVKDONJSA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1nc(C2CC[NH+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000365111153 555487960 /nfs/dbraw/zinc/48/79/60/555487960.db2.gz VARQCQDWULPNOU-LLVKDONJSA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1nnc(C2CC[NH+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000365111153 555487962 /nfs/dbraw/zinc/48/79/62/555487962.db2.gz VARQCQDWULPNOU-LLVKDONJSA-N 1 2 358.402 2.228 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365425499 555571776 /nfs/dbraw/zinc/57/17/76/555571776.db2.gz FVRCFQKKWFBKCR-UHFFFAOYSA-N 1 2 373.413 2.478 20 5 FEBDLO Cc1n[nH]c(C2CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)n1 ZINC000366004585 555724942 /nfs/dbraw/zinc/72/49/42/555724942.db2.gz HTNBHZQZBBWAOA-UHFFFAOYSA-N 1 2 359.386 2.267 20 5 FEBDLO Cc1nc(C2CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)n[nH]1 ZINC000366004585 555724946 /nfs/dbraw/zinc/72/49/46/555724946.db2.gz HTNBHZQZBBWAOA-UHFFFAOYSA-N 1 2 359.386 2.267 20 5 FEBDLO Cc1nnc(C2CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)[nH]1 ZINC000366004585 555724951 /nfs/dbraw/zinc/72/49/51/555724951.db2.gz HTNBHZQZBBWAOA-UHFFFAOYSA-N 1 2 359.386 2.267 20 5 FEBDLO O=[N+]([O-])c1cncc(Br)c1N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000367341246 556022793 /nfs/dbraw/zinc/02/27/93/556022793.db2.gz APUIINNQPLFLSL-JTQLQIEISA-N 1 2 373.276 2.380 20 5 FEBDLO CN(CC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1[N+](=O)[O-] ZINC000515320010 562005050 /nfs/dbraw/zinc/00/50/50/562005050.db2.gz CGRRSOBETAVNPY-UHFFFAOYSA-N 1 2 366.381 2.310 20 5 FEBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000368541254 556339908 /nfs/dbraw/zinc/33/99/08/556339908.db2.gz XWGBNVWVDBGCNV-NSHDSACASA-N 1 2 359.361 2.110 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@]2(CCCOC2)O1 ZINC000369552347 556629256 /nfs/dbraw/zinc/62/92/56/556629256.db2.gz QUWRCIVBXWVYEA-FZKQIMNGSA-N 1 2 374.397 2.415 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@]2(CCCOC2)O1 ZINC000369552347 556629258 /nfs/dbraw/zinc/62/92/58/556629258.db2.gz QUWRCIVBXWVYEA-FZKQIMNGSA-N 1 2 374.397 2.415 20 5 FEBDLO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000372107387 557381476 /nfs/dbraw/zinc/38/14/76/557381476.db2.gz IXTSWLUWUVQDBV-BRWVUGGUSA-N 1 2 369.425 2.242 20 5 FEBDLO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000372107387 557381479 /nfs/dbraw/zinc/38/14/79/557381479.db2.gz IXTSWLUWUVQDBV-BRWVUGGUSA-N 1 2 369.425 2.242 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000372361846 557450279 /nfs/dbraw/zinc/45/02/79/557450279.db2.gz STJAMQKDDVPLBZ-ZDUSSCGKSA-N 1 2 366.381 2.144 20 5 FEBDLO CC(C)NC(=O)CN1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000372391676 557458681 /nfs/dbraw/zinc/45/86/81/557458681.db2.gz MQEVKJWQQKLMAN-VMPITWQZSA-N 1 2 360.458 2.140 20 5 FEBDLO CC(C)NC(=O)CN1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000372391676 557458683 /nfs/dbraw/zinc/45/86/83/557458683.db2.gz MQEVKJWQQKLMAN-VMPITWQZSA-N 1 2 360.458 2.140 20 5 FEBDLO C[C@@H](C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000519757815 562142707 /nfs/dbraw/zinc/14/27/07/562142707.db2.gz QBZRZCREWPRZLS-LLVKDONJSA-N 1 2 361.402 2.194 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@@H]2Cc2c[nH]c3ccccc23)c1 ZINC000374145275 557831294 /nfs/dbraw/zinc/83/12/94/557831294.db2.gz PUZVXQOSJLPWAP-HNNXBMFYSA-N 1 2 355.398 2.216 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@@H]2Cc2c[nH]c3ccccc23)c1 ZINC000374145275 557831295 /nfs/dbraw/zinc/83/12/95/557831295.db2.gz PUZVXQOSJLPWAP-HNNXBMFYSA-N 1 2 355.398 2.216 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2Cc2ccc([N+](=O)[O-])cc2OC)O1 ZINC000374574354 557901641 /nfs/dbraw/zinc/90/16/41/557901641.db2.gz ZTAQHUKLMNTDED-OFSOMGBPSA-N 1 2 364.398 2.287 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2Cc2ccc([N+](=O)[O-])cc2OC)O1 ZINC000374574354 557901642 /nfs/dbraw/zinc/90/16/42/557901642.db2.gz ZTAQHUKLMNTDED-OFSOMGBPSA-N 1 2 364.398 2.287 20 5 FEBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccsc1 ZINC000521154632 562170526 /nfs/dbraw/zinc/17/05/26/562170526.db2.gz BNWKPTCTRGCEKR-ZDUSSCGKSA-N 1 2 373.431 2.377 20 5 FEBDLO Cc1cn2c([nH+]1)CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)CC2 ZINC000374697220 557918147 /nfs/dbraw/zinc/91/81/47/557918147.db2.gz FNQYBCONVOFUDN-UHFFFAOYSA-N 1 2 352.297 2.357 20 5 FEBDLO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000374915338 557950532 /nfs/dbraw/zinc/95/05/32/557950532.db2.gz QYLZHLMRFAWWLS-OAHLLOKOSA-N 1 2 363.805 2.008 20 5 FEBDLO O=C(c1ccccn1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000374917071 557951039 /nfs/dbraw/zinc/95/10/39/557951039.db2.gz UKQINEOPLOQUQP-UHFFFAOYSA-N 1 2 358.373 2.477 20 5 FEBDLO O=C(c1ccccn1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000374917071 557951041 /nfs/dbraw/zinc/95/10/41/557951041.db2.gz UKQINEOPLOQUQP-UHFFFAOYSA-N 1 2 358.373 2.477 20 5 FEBDLO CN(C(=O)C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000375436858 558027089 /nfs/dbraw/zinc/02/70/89/558027089.db2.gz JRDANJCEQVCWBX-ZDUSSCGKSA-N 1 2 371.397 2.308 20 5 FEBDLO CN(C(=O)C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000375436858 558027091 /nfs/dbraw/zinc/02/70/91/558027091.db2.gz JRDANJCEQVCWBX-ZDUSSCGKSA-N 1 2 371.397 2.308 20 5 FEBDLO Cn1nccc1C1=CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000375635663 558060402 /nfs/dbraw/zinc/06/04/02/558060402.db2.gz FPHQEUKNAUVDEN-SFHVURJKSA-N 1 2 367.409 2.223 20 5 FEBDLO Cn1nccc1C1=CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000375635663 558060403 /nfs/dbraw/zinc/06/04/03/558060403.db2.gz FPHQEUKNAUVDEN-SFHVURJKSA-N 1 2 367.409 2.223 20 5 FEBDLO Cc1cc(OCC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000376112109 558128648 /nfs/dbraw/zinc/12/86/48/558128648.db2.gz JPQOETUYJFHLBZ-HNNXBMFYSA-N 1 2 372.425 2.497 20 5 FEBDLO C[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000521772182 562183369 /nfs/dbraw/zinc/18/33/69/562183369.db2.gz FXZVEIGKDIBCBV-NEPJUHHUSA-N 1 2 359.423 2.275 20 5 FEBDLO C[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000521772182 562183370 /nfs/dbraw/zinc/18/33/70/562183370.db2.gz FXZVEIGKDIBCBV-NEPJUHHUSA-N 1 2 359.423 2.275 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCn2c(CC(F)(F)F)nnc2C1 ZINC000377283097 558305800 /nfs/dbraw/zinc/30/58/00/558305800.db2.gz MHHCIPJJSZPXCC-UHFFFAOYSA-N 1 2 371.319 2.316 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCn2c(CC(F)(F)F)nnc2C1 ZINC000377283097 558305802 /nfs/dbraw/zinc/30/58/02/558305802.db2.gz MHHCIPJJSZPXCC-UHFFFAOYSA-N 1 2 371.319 2.316 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000377366190 558326429 /nfs/dbraw/zinc/32/64/29/558326429.db2.gz OYYKPLIHBRYZOK-DGCLKSJQSA-N 1 2 353.806 2.183 20 5 FEBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC(n2cc[nH+]c2)C1 ZINC000522636875 562200897 /nfs/dbraw/zinc/20/08/97/562200897.db2.gz WLFDVOBSRVTQGV-UHFFFAOYSA-N 1 2 350.762 2.297 20 5 FEBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1OC ZINC000378261020 558514172 /nfs/dbraw/zinc/51/41/72/558514172.db2.gz AKFVEARKPVRXIB-GFCCVEGCSA-N 1 2 374.397 2.365 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000378264261 558514691 /nfs/dbraw/zinc/51/46/91/558514691.db2.gz QTQUZIXBDQDUPX-SNVBAGLBSA-N 1 2 370.818 2.160 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000408085007 558644980 /nfs/dbraw/zinc/64/49/80/558644980.db2.gz VWDNRGZSZVLSDJ-GHMZBOCLSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000408085007 558644984 /nfs/dbraw/zinc/64/49/84/558644984.db2.gz VWDNRGZSZVLSDJ-GHMZBOCLSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c1C ZINC000408338616 558668367 /nfs/dbraw/zinc/66/83/67/558668367.db2.gz LMJUOCWEUGAORB-ZFWWWQNUSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)c1C ZINC000408338616 558668368 /nfs/dbraw/zinc/66/83/68/558668368.db2.gz LMJUOCWEUGAORB-ZFWWWQNUSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000524583568 562230669 /nfs/dbraw/zinc/23/06/69/562230669.db2.gz GCISVGKLCXHZTC-UHFFFAOYSA-N 1 2 358.398 2.326 20 5 FEBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])cn3C)CC2)c1 ZINC000524700332 562232548 /nfs/dbraw/zinc/23/25/48/562232548.db2.gz WTJBIBOVCCLIKW-CQSZACIVSA-N 1 2 372.425 2.461 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000411298287 558871555 /nfs/dbraw/zinc/87/15/55/558871555.db2.gz YQVWBTUDKCUEHE-UHFFFAOYSA-N 1 2 371.397 2.279 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000411298287 558871556 /nfs/dbraw/zinc/87/15/56/558871556.db2.gz YQVWBTUDKCUEHE-UHFFFAOYSA-N 1 2 371.397 2.279 20 5 FEBDLO COc1cc(C(=O)NCc2ccc[nH+]c2N(C)C)cc([N+](=O)[O-])c1OC ZINC000525577937 562250505 /nfs/dbraw/zinc/25/05/05/562250505.db2.gz IQTBWCLKUIQDSZ-UHFFFAOYSA-N 1 2 360.370 2.003 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(CC(=O)NCc2cn3c([nH+]2)CCCC3)c1F ZINC000411910687 558986616 /nfs/dbraw/zinc/98/66/16/558986616.db2.gz SMLQJLORMCVBKR-UHFFFAOYSA-N 1 2 362.361 2.134 20 5 FEBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413044138 559072219 /nfs/dbraw/zinc/07/22/19/559072219.db2.gz MFDMEYDCKMQDCP-AWEZNQCLSA-N 1 2 371.441 2.180 20 5 FEBDLO COCc1nc2n(n1)C[C@@H](Nc1[nH+]ccc3ccc([N+](=O)[O-])cc31)CC2 ZINC000413193508 559087529 /nfs/dbraw/zinc/08/75/29/559087529.db2.gz PCVJBIVBANCTQG-LBPRGKRZSA-N 1 2 354.370 2.308 20 5 FEBDLO O=[N+]([O-])c1cc(F)c(NCC2([NH+]3CCOCC3)CCOCC2)c(F)c1 ZINC000413413166 559106113 /nfs/dbraw/zinc/10/61/13/559106113.db2.gz YEZVTLPYNTXIGA-UHFFFAOYSA-N 1 2 357.357 2.166 20 5 FEBDLO COc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]([C@H](C)O)C3)o2)c([N+](=O)[O-])c1 ZINC000414584882 559173511 /nfs/dbraw/zinc/17/35/11/559173511.db2.gz NERPCWXILFOZEO-KPZWWZAWSA-N 1 2 362.382 2.445 20 5 FEBDLO COc1ccc(-c2ccc(C[N@H+]3CCO[C@@H]([C@H](C)O)C3)o2)c([N+](=O)[O-])c1 ZINC000414584882 559173513 /nfs/dbraw/zinc/17/35/13/559173513.db2.gz NERPCWXILFOZEO-KPZWWZAWSA-N 1 2 362.382 2.445 20 5 FEBDLO Cc1cc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)c(C)cc1[N+](=O)[O-] ZINC000416367520 559307647 /nfs/dbraw/zinc/30/76/47/559307647.db2.gz FPBJJEBPAFMBJW-CQSZACIVSA-N 1 2 367.427 2.386 20 5 FEBDLO Cc1cc(S(=O)(=O)NCc2ccc(N(C)C)[nH+]c2)c(C)cc1[N+](=O)[O-] ZINC000416374943 559308428 /nfs/dbraw/zinc/30/84/28/559308428.db2.gz SVDVPQLWRQKMRE-UHFFFAOYSA-N 1 2 364.427 2.151 20 5 FEBDLO CN(CC[NH+]1CCOCC1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425391244 559699563 /nfs/dbraw/zinc/69/95/63/559699563.db2.gz DCHGSHVYQJREGA-UHFFFAOYSA-N 1 2 358.236 2.121 20 5 FEBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000428513504 559777007 /nfs/dbraw/zinc/77/70/07/559777007.db2.gz IXODTNYDCBPVBP-ZDUSSCGKSA-N 1 2 367.471 2.236 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000428692255 559781425 /nfs/dbraw/zinc/78/14/25/559781425.db2.gz WTEAJXHZXGQQDA-UHFFFAOYSA-N 1 2 368.455 2.394 20 5 FEBDLO Cc1cc(OCC(=O)N2CC[NH+](Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000431350490 559838030 /nfs/dbraw/zinc/83/80/30/559838030.db2.gz OFHCYUUHWRBWAV-UHFFFAOYSA-N 1 2 370.409 2.021 20 5 FEBDLO CCc1cc(NC[C@H]2CCCC(=O)N2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000432930870 559867915 /nfs/dbraw/zinc/86/79/15/559867915.db2.gz HBNIESGYWPYBBG-CQSZACIVSA-N 1 2 355.398 2.117 20 5 FEBDLO Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000440496400 560012374 /nfs/dbraw/zinc/01/23/74/560012374.db2.gz RYLFJWDXCSGWJH-OAHLLOKOSA-N 1 2 355.398 2.423 20 5 FEBDLO Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000440496400 560012375 /nfs/dbraw/zinc/01/23/75/560012375.db2.gz RYLFJWDXCSGWJH-OAHLLOKOSA-N 1 2 355.398 2.423 20 5 FEBDLO COc1ccc(OCCN2CC[NH+](Cc3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000441264241 560027489 /nfs/dbraw/zinc/02/74/89/560027489.db2.gz XRHGGTBCZQWROJ-UHFFFAOYSA-N 1 2 361.398 2.393 20 5 FEBDLO COc1ccc(OCC[NH+]2CCN(Cc3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000441264241 560027490 /nfs/dbraw/zinc/02/74/90/560027490.db2.gz XRHGGTBCZQWROJ-UHFFFAOYSA-N 1 2 361.398 2.393 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])CCC2 ZINC000443884233 560095245 /nfs/dbraw/zinc/09/52/45/560095245.db2.gz XRHXRSQWIKNEJE-GFCCVEGCSA-N 1 2 364.427 2.493 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC[C@H](n2cccn2)C1 ZINC000447817963 560170129 /nfs/dbraw/zinc/17/01/29/560170129.db2.gz ULNRKNDEIKEEMP-KRWDZBQOSA-N 1 2 371.441 2.465 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000447838691 560170829 /nfs/dbraw/zinc/17/08/29/560170829.db2.gz CVNKQPRUFNEKRE-PMUMKWKESA-N 1 2 363.414 2.110 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000447838691 560170830 /nfs/dbraw/zinc/17/08/30/560170830.db2.gz CVNKQPRUFNEKRE-PMUMKWKESA-N 1 2 363.414 2.110 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CCN1C ZINC000450496412 560264218 /nfs/dbraw/zinc/26/42/18/560264218.db2.gz YHHSDSRBFKSNKH-INIZCTEOSA-N 1 2 352.398 2.370 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccn(CC(F)(F)F)n3)C2)nc1 ZINC000450573869 560266574 /nfs/dbraw/zinc/26/65/74/560266574.db2.gz YHBLSHHACAWWMD-NSHDSACASA-N 1 2 370.335 2.435 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccn(CC(F)(F)F)n3)C2)nc1 ZINC000450573869 560266575 /nfs/dbraw/zinc/26/65/75/560266575.db2.gz YHBLSHHACAWWMD-NSHDSACASA-N 1 2 370.335 2.435 20 5 FEBDLO O=C(N[C@H]1CCO[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450633791 560268642 /nfs/dbraw/zinc/26/86/42/560268642.db2.gz CPOSZYUDCCMRPY-YOEHRIQHSA-N 1 2 356.382 2.468 20 5 FEBDLO COc1ccc(-c2noc(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])n2)nn1 ZINC000451053695 560284708 /nfs/dbraw/zinc/28/47/08/560284708.db2.gz IFTCQZPIODOIIN-UHFFFAOYSA-N 1 2 370.369 2.468 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000451573456 560315638 /nfs/dbraw/zinc/31/56/38/560315638.db2.gz YBNYENWIFBETJJ-HNNXBMFYSA-N 1 2 351.403 2.289 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000451573456 560315639 /nfs/dbraw/zinc/31/56/39/560315639.db2.gz YBNYENWIFBETJJ-HNNXBMFYSA-N 1 2 351.403 2.289 20 5 FEBDLO COc1ccc2c(c1)C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CCO2 ZINC000451644325 560318984 /nfs/dbraw/zinc/31/89/84/560318984.db2.gz SKPQWXNQJJNQOJ-OAHLLOKOSA-N 1 2 374.393 2.238 20 5 FEBDLO COc1ccc2c(c1)C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CCO2 ZINC000451644325 560318985 /nfs/dbraw/zinc/31/89/85/560318985.db2.gz SKPQWXNQJJNQOJ-OAHLLOKOSA-N 1 2 374.393 2.238 20 5 FEBDLO CO[C@@H]1C[C@@H]([N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000451861432 560333016 /nfs/dbraw/zinc/33/30/16/560333016.db2.gz XMGZVTCQAQKSBI-HZPDHXFCSA-N 1 2 368.455 2.258 20 5 FEBDLO CO[C@@H]1C[C@@H]([N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000451861432 560333017 /nfs/dbraw/zinc/33/30/17/560333017.db2.gz XMGZVTCQAQKSBI-HZPDHXFCSA-N 1 2 368.455 2.258 20 5 FEBDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000451938964 560339402 /nfs/dbraw/zinc/33/94/02/560339402.db2.gz YKIZFRWBNFYZPZ-AWEZNQCLSA-N 1 2 355.460 2.316 20 5 FEBDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000451938964 560339403 /nfs/dbraw/zinc/33/94/03/560339403.db2.gz YKIZFRWBNFYZPZ-AWEZNQCLSA-N 1 2 355.460 2.316 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1C ZINC000451948066 560340034 /nfs/dbraw/zinc/34/00/34/560340034.db2.gz SCDBLZVRZVCRJN-MFKMUULPSA-N 1 2 350.400 2.392 20 5 FEBDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC1 ZINC000451974373 560341524 /nfs/dbraw/zinc/34/15/24/560341524.db2.gz SIWBVCJMWBDUJP-ZDUSSCGKSA-N 1 2 355.460 2.316 20 5 FEBDLO CCN(C)C(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000452543189 560367412 /nfs/dbraw/zinc/36/74/12/560367412.db2.gz IXOBYCYEORZRLP-INIZCTEOSA-N 1 2 373.413 2.013 20 5 FEBDLO CC(C)[N@@H+]1CCc2nc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])sc2C1 ZINC000453021779 560381367 /nfs/dbraw/zinc/38/13/67/560381367.db2.gz GDHJPMHVDZJSCB-ONEGZZNKSA-N 1 2 363.399 2.189 20 5 FEBDLO CC(C)[N@H+]1CCc2nc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])sc2C1 ZINC000453021779 560381368 /nfs/dbraw/zinc/38/13/68/560381368.db2.gz GDHJPMHVDZJSCB-ONEGZZNKSA-N 1 2 363.399 2.189 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000453984690 560419442 /nfs/dbraw/zinc/41/94/42/560419442.db2.gz UDHSKLCZHKYRCJ-HZMBPMFUSA-N 1 2 357.370 2.114 20 5 FEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000456404363 560519443 /nfs/dbraw/zinc/51/94/43/560519443.db2.gz XFTBKINLDQLVGD-LLVKDONJSA-N 1 2 369.385 2.191 20 5 FEBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1cn(C)c[nH+]1 ZINC000457854356 560590516 /nfs/dbraw/zinc/59/05/16/560590516.db2.gz KBQDTXXMJFSEIR-SNVBAGLBSA-N 1 2 352.778 2.108 20 5 FEBDLO CO[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C12CCC2 ZINC000458222410 560609666 /nfs/dbraw/zinc/60/96/66/560609666.db2.gz LHBFWELTCHYVMH-HZPDHXFCSA-N 1 2 356.382 2.468 20 5 FEBDLO CO[C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C12CCC2 ZINC000458222408 560609761 /nfs/dbraw/zinc/60/97/61/560609761.db2.gz LHBFWELTCHYVMH-CVEARBPZSA-N 1 2 356.382 2.468 20 5 FEBDLO Cc1ccc([C@@H](C)NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000458484485 560626265 /nfs/dbraw/zinc/62/62/65/560626265.db2.gz BSWQCPSTAHCNNT-BMFZPTHFSA-N 1 2 362.430 2.127 20 5 FEBDLO Cc1ccc([C@@H](C)NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000458484485 560626266 /nfs/dbraw/zinc/62/62/66/560626266.db2.gz BSWQCPSTAHCNNT-BMFZPTHFSA-N 1 2 362.430 2.127 20 5 FEBDLO COC(=O)c1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c(F)c1 ZINC000459518104 560691638 /nfs/dbraw/zinc/69/16/38/560691638.db2.gz WTJVGSWOXNCXRN-UHFFFAOYSA-N 1 2 374.372 2.238 20 5 FEBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000470183073 560976416 /nfs/dbraw/zinc/97/64/16/560976416.db2.gz PFSJFBFMWBFFPY-XFXZXTDPSA-N 1 2 360.443 2.254 20 5 FEBDLO CC[C@H]1C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000470435440 560981648 /nfs/dbraw/zinc/98/16/48/560981648.db2.gz BBHZWYZLZHBPFU-LBPRGKRZSA-N 1 2 373.356 2.037 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000470435440 560981649 /nfs/dbraw/zinc/98/16/49/560981649.db2.gz BBHZWYZLZHBPFU-LBPRGKRZSA-N 1 2 373.356 2.037 20 5 FEBDLO CCN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1c1[nH]cc[nH+]1 ZINC000471086437 560998019 /nfs/dbraw/zinc/99/80/19/560998019.db2.gz RWKIGJSCOSLLLP-HNNXBMFYSA-N 1 2 355.402 2.073 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000474262065 561069649 /nfs/dbraw/zinc/06/96/49/561069649.db2.gz AIENOKKPFYRIOJ-GOSISDBHSA-N 1 2 355.394 2.433 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000474262065 561069650 /nfs/dbraw/zinc/06/96/50/561069650.db2.gz AIENOKKPFYRIOJ-GOSISDBHSA-N 1 2 355.394 2.433 20 5 FEBDLO CCN1CCN(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000474771937 561082550 /nfs/dbraw/zinc/08/25/50/561082550.db2.gz WGIRCRMTRSWNKT-XJKSGUPXSA-N 1 2 372.429 2.467 20 5 FEBDLO CC[C@@]1(C)C[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCO1 ZINC000475138134 561091383 /nfs/dbraw/zinc/09/13/83/561091383.db2.gz MFSCHZBZCRWOEW-KRWDZBQOSA-N 1 2 352.387 2.148 20 5 FEBDLO CC[C@@]1(C)C[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCO1 ZINC000475138134 561091384 /nfs/dbraw/zinc/09/13/84/561091384.db2.gz MFSCHZBZCRWOEW-KRWDZBQOSA-N 1 2 352.387 2.148 20 5 FEBDLO C[C@H]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000531584688 562450812 /nfs/dbraw/zinc/45/08/12/562450812.db2.gz 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C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCN1CCCC1=O ZINC000534275953 562529457 /nfs/dbraw/zinc/52/94/57/562529457.db2.gz LAFFYAXSQDMNJM-LLVKDONJSA-N 1 2 368.821 2.129 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCN1CCCC1=O ZINC000534275953 562529458 /nfs/dbraw/zinc/52/94/58/562529458.db2.gz LAFFYAXSQDMNJM-LLVKDONJSA-N 1 2 368.821 2.129 20 5 FEBDLO CCOc1cc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])cc1OC ZINC000534409979 562533687 /nfs/dbraw/zinc/53/36/87/562533687.db2.gz BNYXFIBYXSYUAJ-GFCCVEGCSA-N 1 2 374.397 2.365 20 5 FEBDLO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1CCS(=O)(=O)C1 ZINC000534859147 562543965 /nfs/dbraw/zinc/54/39/65/562543965.db2.gz QXLNLMXPILTVMQ-GFCCVEGCSA-N 1 2 365.411 2.116 20 5 FEBDLO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1CCS(=O)(=O)C1 ZINC000534859147 562543966 /nfs/dbraw/zinc/54/39/66/562543966.db2.gz QXLNLMXPILTVMQ-GFCCVEGCSA-N 1 2 365.411 2.116 20 5 FEBDLO 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/nfs/dbraw/zinc/08/43/41/672084341.db2.gz PTAHPAGNJZZGOE-DZGCQCFKSA-N 1 2 361.427 2.017 20 5 FEBDLO CCOC1CC(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000586760593 672240561 /nfs/dbraw/zinc/24/05/61/672240561.db2.gz XIQZTVCSWGLQQX-UHFFFAOYSA-N 1 2 353.444 2.229 20 5 FEBDLO C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594106922 673031802 /nfs/dbraw/zinc/03/18/02/673031802.db2.gz CZMSMZDUDYJZHJ-SDDRHHMPSA-N 1 2 355.822 2.476 20 5 FEBDLO C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594106922 673031803 /nfs/dbraw/zinc/03/18/03/673031803.db2.gz CZMSMZDUDYJZHJ-SDDRHHMPSA-N 1 2 355.822 2.476 20 5 FEBDLO CS(=O)(=O)c1ccc(N2CC[NH+](CC3CC=CC3)CC2)c([N+](=O)[O-])c1 ZINC000595290259 673217139 /nfs/dbraw/zinc/21/71/39/673217139.db2.gz XTOZCRNBOAHFMJ-UHFFFAOYSA-N 1 2 365.455 2.087 20 5 FEBDLO COc1cc(C[N@H+](C)C[C@H]2COCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000595743100 673287878 /nfs/dbraw/zinc/28/78/78/673287878.db2.gz 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C[C@H]1C[N@H+](CCNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)[C@@H](C)CO1 ZINC000597092018 673446342 /nfs/dbraw/zinc/44/63/42/673446342.db2.gz IKZHYSLMLPNDIL-UWVGGRQHSA-N 1 2 371.825 2.061 20 5 FEBDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)[C@@H](C)CO1 ZINC000597092018 673446347 /nfs/dbraw/zinc/44/63/47/673446347.db2.gz IKZHYSLMLPNDIL-UWVGGRQHSA-N 1 2 371.825 2.061 20 5 FEBDLO C[C@@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000598000185 673528600 /nfs/dbraw/zinc/52/86/00/673528600.db2.gz YCTKRAMQLYMXKS-JHJVBQTASA-N 1 2 353.394 2.063 20 5 FEBDLO C[C@@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000598000185 673528605 /nfs/dbraw/zinc/52/86/05/673528605.db2.gz YCTKRAMQLYMXKS-JHJVBQTASA-N 1 2 353.394 2.063 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c(C)c1[N+](=O)[O-] ZINC000598609177 673589722 /nfs/dbraw/zinc/58/97/22/673589722.db2.gz ZBIGCXAETGBCTE-ZDUSSCGKSA-N 1 2 364.427 2.123 20 5 FEBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598619920 673591389 /nfs/dbraw/zinc/59/13/89/673591389.db2.gz QAZSVXIDXBMMKZ-CQSZACIVSA-N 1 2 355.460 2.316 20 5 FEBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598619920 673591392 /nfs/dbraw/zinc/59/13/92/673591392.db2.gz QAZSVXIDXBMMKZ-CQSZACIVSA-N 1 2 355.460 2.316 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987769 673914685 /nfs/dbraw/zinc/91/46/85/673914685.db2.gz QQJYBZSWVQYLND-GBIKHYSHSA-N 1 2 361.320 2.024 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987769 673914687 /nfs/dbraw/zinc/91/46/87/673914687.db2.gz QQJYBZSWVQYLND-GBIKHYSHSA-N 1 2 361.320 2.024 20 5 FEBDLO O=C1NCC2(CC[NH+](Cc3ccc(Br)cc3[N+](=O)[O-])CC2)O1 ZINC000822942343 675518498 /nfs/dbraw/zinc/51/84/98/675518498.db2.gz VMJYYEVCZSGKLE-UHFFFAOYSA-N 1 2 370.203 2.432 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)NCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000760595781 680693950 /nfs/dbraw/zinc/69/39/50/680693950.db2.gz VAGIIYGTUDGBQL-UHFFFAOYSA-N 1 2 370.818 2.342 20 5 FEBDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000832415284 680131581 /nfs/dbraw/zinc/13/15/81/680131581.db2.gz OUBYKKIDTNROGY-LBPRGKRZSA-N 1 2 359.423 2.147 20 5 FEBDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000832415284 680131583 /nfs/dbraw/zinc/13/15/83/680131583.db2.gz OUBYKKIDTNROGY-LBPRGKRZSA-N 1 2 359.423 2.147 20 5 FEBDLO COc1ccc(Cl)c(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000981136850 680217184 /nfs/dbraw/zinc/21/71/84/680217184.db2.gz ITBCKHMNBLOLCQ-GDBMZVCRSA-N 1 2 367.833 2.048 20 5 FEBDLO COc1ccc(Cl)c(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000981136850 680217185 /nfs/dbraw/zinc/21/71/85/680217185.db2.gz ITBCKHMNBLOLCQ-GDBMZVCRSA-N 1 2 367.833 2.048 20 5 FEBDLO Cc1cc(Cl)ccc1C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000981137173 680217202 /nfs/dbraw/zinc/21/72/02/680217202.db2.gz PUBFBEUTLFPUCV-HZPDHXFCSA-N 1 2 351.834 2.348 20 5 FEBDLO Cc1cc(Cl)ccc1C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000981137173 680217203 /nfs/dbraw/zinc/21/72/03/680217203.db2.gz PUBFBEUTLFPUCV-HZPDHXFCSA-N 1 2 351.834 2.348 20 5 FEBDLO O=C1NC2(CO1)CC[NH+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC2 ZINC000753588662 680305306 /nfs/dbraw/zinc/30/53/06/680305306.db2.gz YTAQFYNIWILWOS-UHFFFAOYSA-N 1 2 357.313 2.271 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C[NH+](Cc3ccccc3Cl)C2)CC1 ZINC001035704788 680451313 /nfs/dbraw/zinc/45/13/13/680451313.db2.gz YIJOUDTXROYTOY-GDBMZVCRSA-N 1 2 363.845 2.430 20 5 FEBDLO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2cccc(F)c2F)CC1 ZINC001045436930 680629918 /nfs/dbraw/zinc/62/99/18/680629918.db2.gz YUMMACLDDTTZBA-TZMCWYRMSA-N 1 2 353.369 2.101 20 5 FEBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000843871700 681023110 /nfs/dbraw/zinc/02/31/10/681023110.db2.gz FQERSIDGQALNGO-TXEJJXNPSA-N 1 2 353.394 2.224 20 5 FEBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000843871700 681023113 /nfs/dbraw/zinc/02/31/13/681023113.db2.gz FQERSIDGQALNGO-TXEJJXNPSA-N 1 2 353.394 2.224 20 5 FEBDLO O=C(C[NH+]1CCC(C2(O)CC2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844364400 681054309 /nfs/dbraw/zinc/05/43/09/681054309.db2.gz TYDPIXAEVZAVAD-UHFFFAOYSA-N 1 2 353.806 2.424 20 5 FEBDLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584962 681411279 /nfs/dbraw/zinc/41/12/79/681411279.db2.gz PWGDEQPYLJKLDI-KRWDZBQOSA-N 1 2 364.423 2.164 20 5 FEBDLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584962 681411283 /nfs/dbraw/zinc/41/12/83/681411283.db2.gz PWGDEQPYLJKLDI-KRWDZBQOSA-N 1 2 364.423 2.164 20 5 FEBDLO O=[N+]([O-])c1cn(C[N@@H+]2CCS[C@H]3COCC[C@H]32)nc1-c1ccccn1 ZINC000853503995 682424511 /nfs/dbraw/zinc/42/45/11/682424511.db2.gz XGAOJCWYOWEOTK-HIFRSBDPSA-N 1 2 361.427 2.017 20 5 FEBDLO O=[N+]([O-])c1cn(C[N@H+]2CCS[C@H]3COCC[C@H]32)nc1-c1ccccn1 ZINC000853503995 682424514 /nfs/dbraw/zinc/42/45/14/682424514.db2.gz XGAOJCWYOWEOTK-HIFRSBDPSA-N 1 2 361.427 2.017 20 5 FEBDLO CCOc1cc(C(=O)O[C@H]2CC[N@H+](CCF)C2)c([N+](=O)[O-])cc1OC ZINC000788084075 682502320 /nfs/dbraw/zinc/50/23/20/682502320.db2.gz QDWBIZQCKXQTTK-NSHDSACASA-N 1 2 356.350 2.203 20 5 FEBDLO CCOc1cc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)c([N+](=O)[O-])cc1OC ZINC000788084075 682502324 /nfs/dbraw/zinc/50/23/24/682502324.db2.gz QDWBIZQCKXQTTK-NSHDSACASA-N 1 2 356.350 2.203 20 5 FEBDLO C[C@H]1C[N@H+](CCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000854185213 682522683 /nfs/dbraw/zinc/52/26/83/682522683.db2.gz RPDOWAATOMNMFX-QWRGUYRKSA-N 1 2 356.810 2.479 20 5 FEBDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000854185213 682522685 /nfs/dbraw/zinc/52/26/85/682522685.db2.gz RPDOWAATOMNMFX-QWRGUYRKSA-N 1 2 356.810 2.479 20 5 FEBDLO O=C(Cc1[nH]cc[nH+]1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000854274251 682532062 /nfs/dbraw/zinc/53/20/62/682532062.db2.gz QDHZHVYPNQOHHC-UHFFFAOYSA-N 1 2 357.292 2.108 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000854726710 682586283 /nfs/dbraw/zinc/58/62/83/682586283.db2.gz GWJJMXVOKMWGIC-CQSZACIVSA-N 1 2 367.833 2.493 20 5 FEBDLO Cc1cc(F)cc(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000790124081 682657183 /nfs/dbraw/zinc/65/71/83/682657183.db2.gz JPUCSLGQVRNBGD-UHFFFAOYSA-N 1 2 353.394 2.225 20 5 FEBDLO Cc1cc(F)cc(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000790124081 682657185 /nfs/dbraw/zinc/65/71/85/682657185.db2.gz JPUCSLGQVRNBGD-UHFFFAOYSA-N 1 2 353.394 2.225 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCn2c[nH+]cc21 ZINC000857982267 682929727 /nfs/dbraw/zinc/92/97/27/682929727.db2.gz HJKLJYGCFAVQML-GFCCVEGCSA-N 1 2 365.187 2.358 20 5 FEBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000928646065 683480662 /nfs/dbraw/zinc/48/06/62/683480662.db2.gz GEFIEIOQNSNMEX-LBPRGKRZSA-N 1 2 373.812 2.157 20 5 FEBDLO CN1CC[NH+](CCNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485397532 887641439 /nfs/dbraw/zinc/64/14/39/887641439.db2.gz AMZSMMYKIVMTGD-UHFFFAOYSA-N 1 2 359.405 2.455 20 5 FEBDLO O=[N+]([O-])c1c(Nc2ccn(CC[NH+]3CCOCC3)n2)ccc2ncccc21 ZINC000485202045 888787978 /nfs/dbraw/zinc/78/79/78/888787978.db2.gz IJOVVGPMKSZHET-UHFFFAOYSA-N 1 2 368.397 2.415 20 5 FEBDLO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000015051667 539610186 /nfs/dbraw/zinc/61/01/86/539610186.db2.gz KXUOZKMIARVOGE-IAGOWNOFSA-N 1 2 374.485 2.217 20 5 FEBDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000015051667 539610189 /nfs/dbraw/zinc/61/01/89/539610189.db2.gz KXUOZKMIARVOGE-IAGOWNOFSA-N 1 2 374.485 2.217 20 5 FEBDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000015572757 539620246 /nfs/dbraw/zinc/62/02/46/539620246.db2.gz DVXVWFLZRCKJPC-IAGOWNOFSA-N 1 2 374.485 2.217 20 5 FEBDLO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000015572757 539620251 /nfs/dbraw/zinc/62/02/51/539620251.db2.gz DVXVWFLZRCKJPC-IAGOWNOFSA-N 1 2 374.485 2.217 20 5 FEBDLO O=C(CN1CC[NH+](Cc2ccsc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000029156344 539844734 /nfs/dbraw/zinc/84/47/34/539844734.db2.gz GVMXKLISWJQUOF-UHFFFAOYSA-N 1 2 360.439 2.413 20 5 FEBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1F ZINC000030000303 539872067 /nfs/dbraw/zinc/87/20/67/539872067.db2.gz KPTHVUPAFAXSJQ-OAHLLOKOSA-N 1 2 357.345 2.325 20 5 FEBDLO Cc1c([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cnn1C ZINC000032166764 539930758 /nfs/dbraw/zinc/93/07/58/539930758.db2.gz HQEGXIDRUGCWAI-LLVKDONJSA-N 1 2 354.370 2.313 20 5 FEBDLO CCOc1ccc(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000032430394 539938676 /nfs/dbraw/zinc/93/86/76/539938676.db2.gz FJECLIWVRLUICG-MELADBBJSA-N 1 2 365.430 2.221 20 5 FEBDLO CCOc1ccc(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000032430394 539938679 /nfs/dbraw/zinc/93/86/79/539938679.db2.gz FJECLIWVRLUICG-MELADBBJSA-N 1 2 365.430 2.221 20 5 FEBDLO O=C(C[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1)N1CCCCCC1 ZINC000052685048 540481975 /nfs/dbraw/zinc/48/19/75/540481975.db2.gz XAQAAMKFXBPADI-UHFFFAOYSA-N 1 2 360.458 2.115 20 5 FEBDLO O=C(CN1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)N1CCCCCC1 ZINC000052685048 540481980 /nfs/dbraw/zinc/48/19/80/540481980.db2.gz XAQAAMKFXBPADI-UHFFFAOYSA-N 1 2 360.458 2.115 20 5 FEBDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])cc1F ZINC000054124879 540570067 /nfs/dbraw/zinc/57/00/67/540570067.db2.gz IDFZRRYGNURIAX-MRXNPFEDSA-N 1 2 373.384 2.365 20 5 FEBDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])cc1F ZINC000054124879 540570069 /nfs/dbraw/zinc/57/00/69/540570069.db2.gz IDFZRRYGNURIAX-MRXNPFEDSA-N 1 2 373.384 2.365 20 5 FEBDLO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccnc2)CC1 ZINC000055210090 540635810 /nfs/dbraw/zinc/63/58/10/540635810.db2.gz YLYANUZVEFLTCF-UHFFFAOYSA-N 1 2 369.425 2.136 20 5 FEBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000057055034 540765413 /nfs/dbraw/zinc/76/54/13/540765413.db2.gz YMVPBWOGPGLAHM-UHFFFAOYSA-N 1 2 369.425 2.298 20 5 FEBDLO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062984535 541156303 /nfs/dbraw/zinc/15/63/03/541156303.db2.gz GUHRGWPPWHKUAN-GFCCVEGCSA-N 1 2 356.220 2.268 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000068944255 541643656 /nfs/dbraw/zinc/64/36/56/541643656.db2.gz BVEILBJMESTOJZ-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO Cc1cc(N(C)[C@H](C)CS(C)(=O)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000078251014 542449872 /nfs/dbraw/zinc/44/98/72/542449872.db2.gz VYSCAHZZKWPAPW-GFCCVEGCSA-N 1 2 364.427 2.230 20 5 FEBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000078476655 542463376 /nfs/dbraw/zinc/46/33/76/542463376.db2.gz JPAJVGGRWWRPFV-HNNXBMFYSA-N 1 2 365.455 2.010 20 5 FEBDLO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000079799038 542542347 /nfs/dbraw/zinc/54/23/47/542542347.db2.gz LKUDOZVKJZUMJT-UHFFFAOYSA-N 1 2 354.204 2.278 20 5 FEBDLO Cc1ccn2cc(CNc3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])[nH+]c2c1 ZINC000079860909 542545738 /nfs/dbraw/zinc/54/57/38/542545738.db2.gz JQLKJWXHPRKXBJ-UHFFFAOYSA-N 1 2 350.338 2.400 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000080552290 542594480 /nfs/dbraw/zinc/59/44/80/542594480.db2.gz QOTCEFDLEYLEIY-MRXNPFEDSA-N 1 2 360.458 2.426 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000080971125 542619982 /nfs/dbraw/zinc/61/99/82/542619982.db2.gz ACTYNEUTYXAQIX-UHFFFAOYSA-N 1 2 369.425 2.449 20 5 FEBDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000088594635 542753432 /nfs/dbraw/zinc/75/34/32/542753432.db2.gz ITPCDTFHLYOFQH-JKSUJKDBSA-N 1 2 360.458 2.284 20 5 FEBDLO C[C@H](C(=O)N1CCCC1)N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000088594635 542753435 /nfs/dbraw/zinc/75/34/35/542753435.db2.gz ITPCDTFHLYOFQH-JKSUJKDBSA-N 1 2 360.458 2.284 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089927057 542774211 /nfs/dbraw/zinc/77/42/11/542774211.db2.gz XDXVYYPXGWTYQW-OLZOCXBDSA-N 1 2 351.403 2.025 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089927057 542774213 /nfs/dbraw/zinc/77/42/13/542774213.db2.gz XDXVYYPXGWTYQW-OLZOCXBDSA-N 1 2 351.403 2.025 20 5 FEBDLO C[C@@H](NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000105159680 543162278 /nfs/dbraw/zinc/16/22/78/543162278.db2.gz LLELEKGDFAELIM-MGPQQGTHSA-N 1 2 350.419 2.064 20 5 FEBDLO CC(C)C(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000110274242 543354286 /nfs/dbraw/zinc/35/42/86/543354286.db2.gz SDDWWDBLNULWAF-CQSZACIVSA-N 1 2 362.430 2.018 20 5 FEBDLO CC(C)C(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000110274242 543354288 /nfs/dbraw/zinc/35/42/88/543354288.db2.gz SDDWWDBLNULWAF-CQSZACIVSA-N 1 2 362.430 2.018 20 5 FEBDLO CCCc1n[nH]c(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)c1[N+](=O)[O-] ZINC000124262423 543810808 /nfs/dbraw/zinc/81/08/08/543810808.db2.gz CLUGDNFNKMMLSD-UHFFFAOYSA-N 1 2 372.429 2.373 20 5 FEBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000125352085 543876244 /nfs/dbraw/zinc/87/62/44/543876244.db2.gz NZRSCOCRVDNHEH-UHFFFAOYSA-N 1 2 372.429 2.102 20 5 FEBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1 ZINC000127927186 544021841 /nfs/dbraw/zinc/02/18/41/544021841.db2.gz BQICYWYCCYPEAM-AWEZNQCLSA-N 1 2 368.340 2.466 20 5 FEBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1 ZINC000127927186 544021844 /nfs/dbraw/zinc/02/18/44/544021844.db2.gz BQICYWYCCYPEAM-AWEZNQCLSA-N 1 2 368.340 2.466 20 5 FEBDLO Cc1cccc2nc(C[N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)cc(=O)n12 ZINC000131255305 544182671 /nfs/dbraw/zinc/18/26/71/544182671.db2.gz MWMVJXMCSXRNNY-UHFFFAOYSA-N 1 2 350.378 2.469 20 5 FEBDLO Cc1cccc2nc(C[N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)cc(=O)n12 ZINC000131255305 544182673 /nfs/dbraw/zinc/18/26/73/544182673.db2.gz MWMVJXMCSXRNNY-UHFFFAOYSA-N 1 2 350.378 2.469 20 5 FEBDLO COc1cccc(CNC(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000131471878 544191605 /nfs/dbraw/zinc/19/16/05/544191605.db2.gz YPASGRBKJVBEPL-UHFFFAOYSA-N 1 2 355.394 2.278 20 5 FEBDLO COc1cccc(CNC(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000131471878 544191607 /nfs/dbraw/zinc/19/16/07/544191607.db2.gz YPASGRBKJVBEPL-UHFFFAOYSA-N 1 2 355.394 2.278 20 5 FEBDLO Cn1c2ccc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cc2[nH+]c1C1CC1 ZINC000132304736 544226554 /nfs/dbraw/zinc/22/65/54/544226554.db2.gz FTCFMGATMAKCSL-UHFFFAOYSA-N 1 2 367.365 2.159 20 5 FEBDLO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000132668184 544240020 /nfs/dbraw/zinc/24/00/20/544240020.db2.gz HUWFQFLRQDPPLO-UHFFFAOYSA-N 1 2 366.761 2.450 20 5 FEBDLO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000132668184 544240021 /nfs/dbraw/zinc/24/00/21/544240021.db2.gz HUWFQFLRQDPPLO-UHFFFAOYSA-N 1 2 366.761 2.450 20 5 FEBDLO Cc1cc(Cl)ccc1C[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000553606765 674274900 /nfs/dbraw/zinc/27/49/00/674274900.db2.gz DXBZBZMBKGBHFZ-UHFFFAOYSA-N 1 2 362.821 2.251 20 5 FEBDLO Cc1cc(C(=O)NCC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000183351776 327812936 /nfs/dbraw/zinc/81/29/36/327812936.db2.gz DHWBDQITZXWRNA-HNNXBMFYSA-N 1 2 371.397 2.110 20 5 FEBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000184292235 327860406 /nfs/dbraw/zinc/86/04/06/327860406.db2.gz WSIWHFNGEBJWID-UHFFFAOYSA-N 1 2 356.382 2.262 20 5 FEBDLO Cc1nc(N2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000184952348 327891577 /nfs/dbraw/zinc/89/15/77/327891577.db2.gz JZTGWINQAYYHRI-VOTSOKGWSA-N 1 2 353.382 2.055 20 5 FEBDLO Cc1cnc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000185006291 327894588 /nfs/dbraw/zinc/89/45/88/327894588.db2.gz HMVDZWBYMLDGON-LLVKDONJSA-N 1 2 355.441 2.484 20 5 FEBDLO CCOc1ccc(NC(=O)C[NH2+][C@@H](CCO)c2ccco2)c([N+](=O)[O-])c1 ZINC000185076046 327898168 /nfs/dbraw/zinc/89/81/68/327898168.db2.gz RJWRDLJLULJYCC-AWEZNQCLSA-N 1 2 363.370 2.238 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188459932 328088369 /nfs/dbraw/zinc/08/83/69/328088369.db2.gz UGXYQVOHFIHUKT-UHFFFAOYSA-N 1 2 365.349 2.079 20 5 FEBDLO CC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H](O)C(F)(F)F ZINC000189438424 328148570 /nfs/dbraw/zinc/14/85/70/328148570.db2.gz UYKXLXXKKKDVFO-LBPRGKRZSA-N 1 2 350.293 2.206 20 5 FEBDLO CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H](O)C(F)(F)F ZINC000189438424 328148571 /nfs/dbraw/zinc/14/85/71/328148571.db2.gz UYKXLXXKKKDVFO-LBPRGKRZSA-N 1 2 350.293 2.206 20 5 FEBDLO COCc1noc(CN2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000189620761 328158482 /nfs/dbraw/zinc/15/84/82/328158482.db2.gz NUGPTBGIXOGBNZ-ZDUSSCGKSA-N 1 2 361.402 2.003 20 5 FEBDLO CCOCCOCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000190277941 328197996 /nfs/dbraw/zinc/19/79/96/328197996.db2.gz UJLSBUWKYBSLAA-UHFFFAOYSA-N 1 2 359.810 2.172 20 5 FEBDLO CCOCCOCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000190277941 328197997 /nfs/dbraw/zinc/19/79/97/328197997.db2.gz UJLSBUWKYBSLAA-UHFFFAOYSA-N 1 2 359.810 2.172 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000191878325 328286457 /nfs/dbraw/zinc/28/64/57/328286457.db2.gz ASWCWMFAWGYTPL-CQSZACIVSA-N 1 2 353.444 2.070 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000191878325 328286458 /nfs/dbraw/zinc/28/64/58/328286458.db2.gz ASWCWMFAWGYTPL-CQSZACIVSA-N 1 2 353.444 2.070 20 5 FEBDLO CC1(C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H]2CCO[C@@H]21 ZINC000078158167 325034225 /nfs/dbraw/zinc/03/42/25/325034225.db2.gz ICCYJNRTMNVZIB-MAZHCROVSA-N 1 2 356.382 2.324 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000085635388 325256688 /nfs/dbraw/zinc/25/66/88/325256688.db2.gz LKJGQRNIMUJSLO-UHFFFAOYSA-N 1 2 350.419 2.444 20 5 FEBDLO COCc1cccc(CNC(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088605443 325298436 /nfs/dbraw/zinc/29/84/36/325298436.db2.gz ICYPDSSAHBWWIC-UHFFFAOYSA-N 1 2 369.421 2.416 20 5 FEBDLO COCc1cccc(CNC(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088605443 325298440 /nfs/dbraw/zinc/29/84/40/325298440.db2.gz ICYPDSSAHBWWIC-UHFFFAOYSA-N 1 2 369.421 2.416 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCCN(CC(F)F)CC3)n2)cc1 ZINC000091083301 325373988 /nfs/dbraw/zinc/37/39/88/325373988.db2.gz IJAFCXRSRXDUOX-UHFFFAOYSA-N 1 2 367.356 2.418 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCCN(CC(F)F)CC3)n2)cc1 ZINC000091083301 325373990 /nfs/dbraw/zinc/37/39/90/325373990.db2.gz IJAFCXRSRXDUOX-UHFFFAOYSA-N 1 2 367.356 2.418 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000119360625 326153219 /nfs/dbraw/zinc/15/32/19/326153219.db2.gz UGBCFTINKWONLO-ZDUSSCGKSA-N 1 2 358.398 2.432 20 5 FEBDLO CC(C)n1cc[nH+]c1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000119843635 326204275 /nfs/dbraw/zinc/20/42/75/326204275.db2.gz JRNVOSCXDBODEF-UHFFFAOYSA-N 1 2 357.414 2.330 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)c1C ZINC000120096102 326229638 /nfs/dbraw/zinc/22/96/38/326229638.db2.gz RFJCSQIAYPABCZ-UHFFFAOYSA-N 1 2 364.427 2.434 20 5 FEBDLO COCCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000120126510 326232503 /nfs/dbraw/zinc/23/25/03/326232503.db2.gz JYJPMOPLOLCSHN-IEXSPKMKSA-N 1 2 368.455 2.134 20 5 FEBDLO COCCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000120126510 326232505 /nfs/dbraw/zinc/23/25/05/326232505.db2.gz JYJPMOPLOLCSHN-IEXSPKMKSA-N 1 2 368.455 2.134 20 5 FEBDLO O=C(C[NH+]1CCC(n2cncn2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000120614871 326273092 /nfs/dbraw/zinc/27/30/92/326273092.db2.gz PBMQVCSKQQAXCT-UHFFFAOYSA-N 1 2 364.793 2.115 20 5 FEBDLO Cc1nn(C)c(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c1[N+](=O)[O-] ZINC000126065231 326482548 /nfs/dbraw/zinc/48/25/48/326482548.db2.gz BYUAZXBRFVBVFZ-UHFFFAOYSA-N 1 2 373.413 2.030 20 5 FEBDLO CCCc1n[nH]c(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000131285415 326571868 /nfs/dbraw/zinc/57/18/68/326571868.db2.gz SIXCRQXXYNRHGW-GFCCVEGCSA-N 1 2 358.402 2.064 20 5 FEBDLO Cc1nc(CN2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)oc1C ZINC000137038109 326657525 /nfs/dbraw/zinc/65/75/25/326657525.db2.gz YNWMICLVLRLDIF-KRWDZBQOSA-N 1 2 360.414 2.051 20 5 FEBDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000152016831 326696971 /nfs/dbraw/zinc/69/69/71/326696971.db2.gz RSTXMRRKPZOZDW-UHFFFAOYSA-N 1 2 371.802 2.485 20 5 FEBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000158320119 326892291 /nfs/dbraw/zinc/89/22/91/326892291.db2.gz UMQORQBZWOKBSD-NSHDSACASA-N 1 2 361.427 2.153 20 5 FEBDLO CCc1n[nH]c(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000170694124 327094470 /nfs/dbraw/zinc/09/44/70/327094470.db2.gz DNAWRIQIQQINII-UHFFFAOYSA-N 1 2 354.370 2.055 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](OCCO)C1 ZINC000172294580 327193061 /nfs/dbraw/zinc/19/30/61/327193061.db2.gz MTJVQZQFFLHOCR-AAEUAGOBSA-N 1 2 371.821 2.049 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](OCCO)C1 ZINC000172294580 327193062 /nfs/dbraw/zinc/19/30/62/327193062.db2.gz MTJVQZQFFLHOCR-AAEUAGOBSA-N 1 2 371.821 2.049 20 5 FEBDLO C[C@H]([NH2+][C@@H](C)c1nnc2ccccn21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000172611222 327211449 /nfs/dbraw/zinc/21/14/49/327211449.db2.gz HBZKEUAHLFUWEW-RYUDHWBXSA-N 1 2 354.370 2.315 20 5 FEBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)c1 ZINC000178149227 327568633 /nfs/dbraw/zinc/56/86/33/327568633.db2.gz GNCHLABLHCPFGE-UHFFFAOYSA-N 1 2 354.410 2.443 20 5 FEBDLO C[C@]1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCC[C@@H]1O ZINC000178246150 327574303 /nfs/dbraw/zinc/57/43/03/327574303.db2.gz FTTMFKDPDIMMIY-FUHWJXTLSA-N 1 2 358.398 2.452 20 5 FEBDLO CCOC(=O)c1ccnc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000246845521 328649869 /nfs/dbraw/zinc/64/98/69/328649869.db2.gz ANZUKDYWCNPMSP-OCCSQVGLSA-N 1 2 359.386 2.451 20 5 FEBDLO CCCc1n[nH]c(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000264605585 329040127 /nfs/dbraw/zinc/04/01/27/329040127.db2.gz LMMIIYFAUQDNHA-UHFFFAOYSA-N 1 2 358.402 2.196 20 5 FEBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000265307930 329112688 /nfs/dbraw/zinc/11/26/88/329112688.db2.gz QGBZDOKIFYWUGX-GFCCVEGCSA-N 1 2 373.388 2.230 20 5 FEBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000265361338 329118782 /nfs/dbraw/zinc/11/87/82/329118782.db2.gz XRJALXXEGZLDRW-OAHLLOKOSA-N 1 2 370.409 2.274 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H]1CO)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000266729261 329253557 /nfs/dbraw/zinc/25/35/57/329253557.db2.gz KGPALNUFPPBEFQ-CYBMUJFWSA-N 1 2 362.411 2.114 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H]1CO)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000266729261 329253559 /nfs/dbraw/zinc/25/35/59/329253559.db2.gz KGPALNUFPPBEFQ-CYBMUJFWSA-N 1 2 362.411 2.114 20 5 FEBDLO COC(=O)C[C@@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000267631084 329344825 /nfs/dbraw/zinc/34/48/25/329344825.db2.gz JOXSFXPVDCFZKS-OAHLLOKOSA-N 1 2 372.381 2.129 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000268098039 329384952 /nfs/dbraw/zinc/38/49/52/329384952.db2.gz ZZIKJSQCAVSLGB-CYBMUJFWSA-N 1 2 364.427 2.449 20 5 FEBDLO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269108446 329486564 /nfs/dbraw/zinc/48/65/64/329486564.db2.gz CIKXDRSXLFOIOD-GOSISDBHSA-N 1 2 371.393 2.104 20 5 FEBDLO C[C@@H](NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000275303031 330032624 /nfs/dbraw/zinc/03/26/24/330032624.db2.gz BYQLREMZTPFOHU-CJNGLKHVSA-N 1 2 372.429 2.088 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367087848 330215539 /nfs/dbraw/zinc/21/55/39/330215539.db2.gz ZKLSIEQAVRIEDD-INIZCTEOSA-N 1 2 360.801 2.359 20 5 FEBDLO O=C(N1CC[NH2+][C@H](c2ccncc2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000367086947 330215577 /nfs/dbraw/zinc/21/55/77/330215577.db2.gz VWDFXPXCHYWNGW-HNNXBMFYSA-N 1 2 362.336 2.255 20 5 FEBDLO Cn1nccc1C1=CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000367211660 330230669 /nfs/dbraw/zinc/23/06/69/330230669.db2.gz LUQSPWGGXAHUPP-UHFFFAOYSA-N 1 2 356.382 2.484 20 5 FEBDLO Cn1nccc1C1=CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000367211660 330230671 /nfs/dbraw/zinc/23/06/71/330230671.db2.gz LUQSPWGGXAHUPP-UHFFFAOYSA-N 1 2 356.382 2.484 20 5 FEBDLO O=C(CC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411385934 330256713 /nfs/dbraw/zinc/25/67/13/330256713.db2.gz JFTWUQVKRWAXOA-GOSISDBHSA-N 1 2 368.393 2.097 20 5 FEBDLO O=C(CC[N@H+]1CCNC(=O)[C@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411385934 330256714 /nfs/dbraw/zinc/25/67/14/330256714.db2.gz JFTWUQVKRWAXOA-GOSISDBHSA-N 1 2 368.393 2.097 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@H+](CCO)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000157041479 545693027 /nfs/dbraw/zinc/69/30/27/545693027.db2.gz JMQVTIXRNJWJHA-AWEZNQCLSA-N 1 2 358.398 2.120 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](CCO)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000157041479 545693031 /nfs/dbraw/zinc/69/30/31/545693031.db2.gz JMQVTIXRNJWJHA-AWEZNQCLSA-N 1 2 358.398 2.120 20 5 FEBDLO C[C@@H]1CN(c2ccc(CNC(=O)Cc3cccc([N+](=O)[O-])c3)c[nH+]2)CCO1 ZINC000172803624 546267533 /nfs/dbraw/zinc/26/75/33/546267533.db2.gz XTSMPTHPDOJRBV-CQSZACIVSA-N 1 2 370.409 2.074 20 5 FEBDLO C[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000480390351 561208250 /nfs/dbraw/zinc/20/82/50/561208250.db2.gz VJATZCJCZXWRID-LIRRHRJNSA-N 1 2 361.442 2.431 20 5 FEBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc([N+](=O)[O-])nn1C)c1ccc(Cl)cc1 ZINC000481314446 561230517 /nfs/dbraw/zinc/23/05/17/561230517.db2.gz PIMLSTIBDKREEG-CQSZACIVSA-N 1 2 374.788 2.235 20 5 FEBDLO CN(C)c1cccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000178975480 546882489 /nfs/dbraw/zinc/88/24/89/546882489.db2.gz PPCVPAQHSDQTIJ-UHFFFAOYSA-N 1 2 366.381 2.172 20 5 FEBDLO CCC1(CO)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000179377165 546942883 /nfs/dbraw/zinc/94/28/83/546942883.db2.gz PMNIEFMPDOEELZ-UHFFFAOYSA-N 1 2 358.398 2.405 20 5 FEBDLO C[C@@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1cccc([N+](=O)[O-])c1 ZINC000180406034 547102547 /nfs/dbraw/zinc/10/25/47/547102547.db2.gz HSFBBRNGOIFNAZ-SNVBAGLBSA-N 1 2 355.441 2.447 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000483056761 561266138 /nfs/dbraw/zinc/26/61/38/561266138.db2.gz WKYZLHVSHKCUQP-MRXNPFEDSA-N 1 2 363.414 2.112 20 5 FEBDLO O=[N+]([O-])c1nn(Cc2[nH+]ccn2CC(F)(F)F)cc1Br ZINC000483148274 561268800 /nfs/dbraw/zinc/26/88/00/561268800.db2.gz FZOZEGYGGXNLKB-UHFFFAOYSA-N 1 2 354.086 2.361 20 5 FEBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000184642369 547859795 /nfs/dbraw/zinc/85/97/95/547859795.db2.gz VGDNNYZCXPLCHS-UHFFFAOYSA-N 1 2 352.350 2.475 20 5 FEBDLO Cc1cccn2cc(CNS(=O)(=O)Cc3ccccc3[N+](=O)[O-])[nH+]c12 ZINC000184784586 547878900 /nfs/dbraw/zinc/87/89/00/547878900.db2.gz GDAJHPPLBXJRII-UHFFFAOYSA-N 1 2 360.395 2.171 20 5 FEBDLO C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185368051 547976499 /nfs/dbraw/zinc/97/64/99/547976499.db2.gz ZILHMPLEYNBTNO-IIYDPXPESA-N 1 2 365.405 2.017 20 5 FEBDLO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000185471557 547988727 /nfs/dbraw/zinc/98/87/27/547988727.db2.gz KYAVPTVVPRGPDM-GFCCVEGCSA-N 1 2 366.381 2.125 20 5 FEBDLO O=C(C[N@@H+]1CCSC2(CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000186839905 548203256 /nfs/dbraw/zinc/20/32/56/548203256.db2.gz ZAQWMKRCTZCPAQ-UHFFFAOYSA-N 1 2 351.428 2.131 20 5 FEBDLO O=C(C[N@H+]1CCSC2(CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000186839905 548203260 /nfs/dbraw/zinc/20/32/60/548203260.db2.gz ZAQWMKRCTZCPAQ-UHFFFAOYSA-N 1 2 351.428 2.131 20 5 FEBDLO CC[C@H]1C[N@H+](CCNc2ncc(Br)cc2[N+](=O)[O-])CCO1 ZINC000486013460 561335322 /nfs/dbraw/zinc/33/53/22/561335322.db2.gz YHNNBHDZLOQJBN-NSHDSACASA-N 1 2 359.224 2.275 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNc2ncc(Br)cc2[N+](=O)[O-])CCO1 ZINC000486013460 561335323 /nfs/dbraw/zinc/33/53/23/561335323.db2.gz YHNNBHDZLOQJBN-NSHDSACASA-N 1 2 359.224 2.275 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000193403219 548387084 /nfs/dbraw/zinc/38/70/84/548387084.db2.gz NJYFDNSEWARUIG-UHFFFAOYSA-N 1 2 371.397 2.030 20 5 FEBDLO COc1cc(C[NH+]2C[C@H](OC)[C@@H](OC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000488044265 561382097 /nfs/dbraw/zinc/38/20/97/561382097.db2.gz SCEAGNQFDQGEPV-KBPBESRZSA-N 1 2 362.329 2.050 20 5 FEBDLO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H](C)C1 ZINC000248450322 549440002 /nfs/dbraw/zinc/44/00/02/549440002.db2.gz FNNJBXMUDUUSFB-BBRMVZONSA-N 1 2 365.430 2.167 20 5 FEBDLO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H](C)C1 ZINC000248450322 549440006 /nfs/dbraw/zinc/44/00/06/549440006.db2.gz FNNJBXMUDUUSFB-BBRMVZONSA-N 1 2 365.430 2.167 20 5 FEBDLO CN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492580041 561452002 /nfs/dbraw/zinc/45/20/02/561452002.db2.gz MZSIEJUZEFPCKK-MRXNPFEDSA-N 1 2 354.370 2.153 20 5 FEBDLO COc1ccc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1[N+](=O)[O-] ZINC000269311438 550179750 /nfs/dbraw/zinc/17/97/50/550179750.db2.gz ICXUUSMGEFMAFF-UHFFFAOYSA-N 1 2 372.381 2.396 20 5 FEBDLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269670462 550215590 /nfs/dbraw/zinc/21/55/90/550215590.db2.gz UHXBJZPDLPAANI-KRWDZBQOSA-N 1 2 364.423 2.164 20 5 FEBDLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269670462 550215591 /nfs/dbraw/zinc/21/55/91/550215591.db2.gz UHXBJZPDLPAANI-KRWDZBQOSA-N 1 2 364.423 2.164 20 5 FEBDLO O=C(N1CCC[C@@H]1C[NH+]1CCOCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272357224 550440562 /nfs/dbraw/zinc/44/05/62/550440562.db2.gz PHXYNDRLIPWSHL-OAHLLOKOSA-N 1 2 369.368 2.010 20 5 FEBDLO CC(C)N1C[C@@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000272544236 550457024 /nfs/dbraw/zinc/45/70/24/550457024.db2.gz PSEYXYYCMCJZSP-WMLDXEAASA-N 1 2 357.414 2.017 20 5 FEBDLO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272953145 550477948 /nfs/dbraw/zinc/47/79/48/550477948.db2.gz GOCNCEXXJCYFCN-LRDDRELGSA-N 1 2 369.381 2.217 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1nnc(C)s1 ZINC000273540993 550502217 /nfs/dbraw/zinc/50/22/17/550502217.db2.gz ANLOMMXRJDJSPT-QMMMGPOBSA-N 1 2 351.388 2.053 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]nc(-c3nc([C@@H]4C[N@@H+](C5CC5)CCO4)no3)c2c1 ZINC000273946410 550516728 /nfs/dbraw/zinc/51/67/28/550516728.db2.gz SMOQFCQRCZTQCR-ZDUSSCGKSA-N 1 2 356.342 2.057 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]nc(-c3nc([C@@H]4C[N@H+](C5CC5)CCO4)no3)c2c1 ZINC000273946410 550516729 /nfs/dbraw/zinc/51/67/29/550516729.db2.gz SMOQFCQRCZTQCR-ZDUSSCGKSA-N 1 2 356.342 2.057 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[NH+](CCc2cccs2)CC1 ZINC000274626349 550546745 /nfs/dbraw/zinc/54/67/45/550546745.db2.gz MHQTVZYERYVQLN-UHFFFAOYSA-N 1 2 361.423 2.362 20 5 FEBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000277501715 550677951 /nfs/dbraw/zinc/67/79/51/550677951.db2.gz JFGFXEDECULHSI-UHFFFAOYSA-N 1 2 362.434 2.188 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000277672287 550699558 /nfs/dbraw/zinc/69/95/58/550699558.db2.gz FUCBHPPFMUXGON-IINYFYTJSA-N 1 2 361.320 2.169 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000277672287 550699560 /nfs/dbraw/zinc/69/95/60/550699560.db2.gz FUCBHPPFMUXGON-IINYFYTJSA-N 1 2 361.320 2.169 20 5 FEBDLO Cc1nn(C)c(C(=O)N2CCC[C@H]2c2[nH+]c3c(n2C)CCCC3)c1[N+](=O)[O-] ZINC000279242270 550868959 /nfs/dbraw/zinc/86/89/59/550868959.db2.gz RURBYZLZEKBTNZ-AWEZNQCLSA-N 1 2 372.429 2.226 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000279535438 550900520 /nfs/dbraw/zinc/90/05/20/550900520.db2.gz QLOMNHDQEQAZJV-ZIAGYGMSSA-N 1 2 350.419 2.018 20 5 FEBDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000279795801 550929520 /nfs/dbraw/zinc/92/95/20/550929520.db2.gz LDGBFOVUIBIVSD-UHFFFAOYSA-N 1 2 368.397 2.313 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280566544 551008405 /nfs/dbraw/zinc/00/84/05/551008405.db2.gz RPQJHFRUGJHBLD-FZKQIMNGSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280566544 551008407 /nfs/dbraw/zinc/00/84/07/551008407.db2.gz RPQJHFRUGJHBLD-FZKQIMNGSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280566548 551008494 /nfs/dbraw/zinc/00/84/94/551008494.db2.gz RPQJHFRUGJHBLD-SCLBCKFNSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280566548 551008495 /nfs/dbraw/zinc/00/84/95/551008495.db2.gz RPQJHFRUGJHBLD-SCLBCKFNSA-N 1 2 363.414 2.192 20 5 FEBDLO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])[C@H](C)C1 ZINC000280893102 551043109 /nfs/dbraw/zinc/04/31/09/551043109.db2.gz GWZPDQSQJJGMKS-UKRRQHHQSA-N 1 2 365.430 2.167 20 5 FEBDLO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])[C@H](C)C1 ZINC000280893102 551043110 /nfs/dbraw/zinc/04/31/10/551043110.db2.gz GWZPDQSQJJGMKS-UKRRQHHQSA-N 1 2 365.430 2.167 20 5 FEBDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000497845347 561509819 /nfs/dbraw/zinc/50/98/19/561509819.db2.gz NKQRWTXPKLETDV-INIZCTEOSA-N 1 2 372.425 2.045 20 5 FEBDLO O=C(C1CCCCC1)N1CC[NH+](CCNc2ncccc2[N+](=O)[O-])CC1 ZINC000498923212 561538019 /nfs/dbraw/zinc/53/80/19/561538019.db2.gz IFMJAIFIAGQUTC-UHFFFAOYSA-N 1 2 361.446 2.126 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000285682731 551794760 /nfs/dbraw/zinc/79/47/60/551794760.db2.gz GLLFNHDVUOOWPC-ZFWWWQNUSA-N 1 2 365.455 2.009 20 5 FEBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000285860942 551819908 /nfs/dbraw/zinc/81/99/08/551819908.db2.gz PRVNSDJKDBCAOX-UPEZTMAHSA-N 1 2 359.426 2.320 20 5 FEBDLO COC(=O)c1cc(C)nc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000286401160 551883602 /nfs/dbraw/zinc/88/36/02/551883602.db2.gz ZPTRNXRQKQTTJG-GFCCVEGCSA-N 1 2 357.370 2.171 20 5 FEBDLO COCC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccn1 ZINC000287341939 551991710 /nfs/dbraw/zinc/99/17/10/551991710.db2.gz KZZOVPJKZMHALH-UHFFFAOYSA-N 1 2 370.409 2.028 20 5 FEBDLO COCC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccn1 ZINC000287341939 551991712 /nfs/dbraw/zinc/99/17/12/551991712.db2.gz KZZOVPJKZMHALH-UHFFFAOYSA-N 1 2 370.409 2.028 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000287564863 552019601 /nfs/dbraw/zinc/01/96/01/552019601.db2.gz WWNKUQFBDHFSIZ-DGCLKSJQSA-N 1 2 353.806 2.183 20 5 FEBDLO NC(=O)c1ccc(C[NH2+][C@H](CO)c2cccc(Cl)c2F)c([N+](=O)[O-])c1 ZINC000499937670 561562364 /nfs/dbraw/zinc/56/23/64/561562364.db2.gz HPYTVHLHAYUNBL-CYBMUJFWSA-N 1 2 367.764 2.309 20 5 FEBDLO O=c1nc([C@H]2CCC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)[nH][nH]1 ZINC000289460153 552325396 /nfs/dbraw/zinc/32/53/96/552325396.db2.gz QAPWTFJALKQKSS-LBPRGKRZSA-N 1 2 370.369 2.041 20 5 FEBDLO O=c1nc([C@H]2CCC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)[nH][nH]1 ZINC000289460153 552325398 /nfs/dbraw/zinc/32/53/98/552325398.db2.gz QAPWTFJALKQKSS-LBPRGKRZSA-N 1 2 370.369 2.041 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000289817417 552383146 /nfs/dbraw/zinc/38/31/46/552383146.db2.gz OHIWWCQSDAIINR-CJNGLKHVSA-N 1 2 362.430 2.484 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000289963589 552406514 /nfs/dbraw/zinc/40/65/14/552406514.db2.gz WWTJPWRCQHTCDP-YOEHRIQHSA-N 1 2 363.414 2.431 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000289963589 552406515 /nfs/dbraw/zinc/40/65/15/552406515.db2.gz WWTJPWRCQHTCDP-YOEHRIQHSA-N 1 2 363.414 2.431 20 5 FEBDLO CCC[C@]1(CO)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000290701144 552522362 /nfs/dbraw/zinc/52/23/62/552522362.db2.gz QMSUDTVGDJAFMX-SFHVURJKSA-N 1 2 358.398 2.405 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC(F)(F)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000291602055 552642012 /nfs/dbraw/zinc/64/20/12/552642012.db2.gz BWWJPDBTLDVYLW-VXGBXAGGSA-N 1 2 357.357 2.180 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC(F)(F)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000291602055 552642013 /nfs/dbraw/zinc/64/20/13/552642013.db2.gz BWWJPDBTLDVYLW-VXGBXAGGSA-N 1 2 357.357 2.180 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292214584 552705261 /nfs/dbraw/zinc/70/52/61/552705261.db2.gz ULRGSAASZXBTET-CQSZACIVSA-N 1 2 363.414 2.290 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292214584 552705262 /nfs/dbraw/zinc/70/52/62/552705262.db2.gz ULRGSAASZXBTET-CQSZACIVSA-N 1 2 363.414 2.290 20 5 FEBDLO COc1cc[nH+]cc1CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000294368226 552900709 /nfs/dbraw/zinc/90/07/09/552900709.db2.gz VVORXUWMTFYRMI-UHFFFAOYSA-N 1 2 371.397 2.030 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000295368955 552995155 /nfs/dbraw/zinc/99/51/55/552995155.db2.gz SLMFSYOEIQYBIC-ZDUSSCGKSA-N 1 2 350.400 2.100 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1N(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000296225444 553125661 /nfs/dbraw/zinc/12/56/61/553125661.db2.gz HCEJDDZSRWEDIZ-LLVKDONJSA-N 1 2 370.456 2.381 20 5 FEBDLO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000296602814 553186080 /nfs/dbraw/zinc/18/60/80/553186080.db2.gz RMVMTDHUBDKTTH-UHFFFAOYSA-N 1 2 367.402 2.418 20 5 FEBDLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000296602814 553186082 /nfs/dbraw/zinc/18/60/82/553186082.db2.gz RMVMTDHUBDKTTH-UHFFFAOYSA-N 1 2 367.402 2.418 20 5 FEBDLO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000297531958 553304927 /nfs/dbraw/zinc/30/49/27/553304927.db2.gz IEOQCTOEZUALHR-WMLDXEAASA-N 1 2 362.430 2.162 20 5 FEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000298081897 553381691 /nfs/dbraw/zinc/38/16/91/553381691.db2.gz LXVAIJRSNCQZDY-INIZCTEOSA-N 1 2 362.817 2.499 20 5 FEBDLO CCn1c(CCNc2ncc([N+](=O)[O-])cc2C(N)=O)[nH+]c2ccccc21 ZINC000301114134 553622775 /nfs/dbraw/zinc/62/27/75/553622775.db2.gz UABJNCJSFDNFFK-UHFFFAOYSA-N 1 2 354.370 2.113 20 5 FEBDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000301215504 553631908 /nfs/dbraw/zinc/63/19/08/553631908.db2.gz XNKHIXATMIEJJD-JTQLQIEISA-N 1 2 364.356 2.128 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000301450048 553652768 /nfs/dbraw/zinc/65/27/68/553652768.db2.gz SNXTVSMJPFKKNF-GOSISDBHSA-N 1 2 354.410 2.252 20 5 FEBDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000505243033 561668526 /nfs/dbraw/zinc/66/85/26/561668526.db2.gz SJHDPXNIUZSMQJ-NSHDSACASA-N 1 2 363.805 2.490 20 5 FEBDLO CNC(=O)c1ccc(N2CCCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000302239072 553713062 /nfs/dbraw/zinc/71/30/62/553713062.db2.gz WXXDHZMQLCRZFX-UHFFFAOYSA-N 1 2 355.398 2.066 20 5 FEBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000505703881 561678014 /nfs/dbraw/zinc/67/80/14/561678014.db2.gz WZSLGUTZLWYYDT-HNNXBMFYSA-N 1 2 351.366 2.258 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000507918228 561745803 /nfs/dbraw/zinc/74/58/03/561745803.db2.gz DRTUCDHYZPQEDR-VHSXEESVSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000507918228 561745804 /nfs/dbraw/zinc/74/58/04/561745804.db2.gz DRTUCDHYZPQEDR-VHSXEESVSA-N 1 2 361.851 2.270 20 5 FEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000330541558 554135683 /nfs/dbraw/zinc/13/56/83/554135683.db2.gz IHACERNAJBMCJH-WDEREUQCSA-N 1 2 361.851 2.351 20 5 FEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000330541558 554135685 /nfs/dbraw/zinc/13/56/85/554135685.db2.gz IHACERNAJBMCJH-WDEREUQCSA-N 1 2 361.851 2.351 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000331470067 554269456 /nfs/dbraw/zinc/26/94/56/554269456.db2.gz FHTZYOCAHSYPQV-SFHVURJKSA-N 1 2 363.414 2.112 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000331470067 554269459 /nfs/dbraw/zinc/26/94/59/554269459.db2.gz FHTZYOCAHSYPQV-SFHVURJKSA-N 1 2 363.414 2.112 20 5 FEBDLO COC(=O)C[C@](C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccn1 ZINC000509123071 561785606 /nfs/dbraw/zinc/78/56/06/561785606.db2.gz FTSYYHRNELDEFF-SFHVURJKSA-N 1 2 369.381 2.434 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000332538167 554467145 /nfs/dbraw/zinc/46/71/45/554467145.db2.gz ZCTAHDWBMNDQKP-HUUCEWRRSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000332538167 554467147 /nfs/dbraw/zinc/46/71/47/554467147.db2.gz ZCTAHDWBMNDQKP-HUUCEWRRSA-N 1 2 367.471 2.459 20 5 FEBDLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000511081745 561856153 /nfs/dbraw/zinc/85/61/53/561856153.db2.gz OVDGWQVBCHAKQH-NSHDSACASA-N 1 2 361.851 2.104 20 5 FEBDLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000511081745 561856155 /nfs/dbraw/zinc/85/61/55/561856155.db2.gz OVDGWQVBCHAKQH-NSHDSACASA-N 1 2 361.851 2.104 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000511258699 561863070 /nfs/dbraw/zinc/86/30/70/561863070.db2.gz GNOLSBKUUWNTII-AWEZNQCLSA-N 1 2 350.400 2.066 20 5 FEBDLO Cc1cccc2[nH+]c(CCc3nc(-c4c([N+](=O)[O-])ncn4C)no3)[nH]c21 ZINC000350912623 554821549 /nfs/dbraw/zinc/82/15/49/554821549.db2.gz YGMNIEAZONCMIU-UHFFFAOYSA-N 1 2 353.342 2.348 20 5 FEBDLO Cc1cccc2[nH]c(CCc3nc(-c4c([N+](=O)[O-])ncn4C)no3)[nH+]c21 ZINC000350912623 554821553 /nfs/dbraw/zinc/82/15/53/554821553.db2.gz YGMNIEAZONCMIU-UHFFFAOYSA-N 1 2 353.342 2.348 20 5 FEBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000362886325 554996022 /nfs/dbraw/zinc/99/60/22/554996022.db2.gz VSRZNFMPNPASBZ-UHFFFAOYSA-N 1 2 366.381 2.217 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000363208663 555054139 /nfs/dbraw/zinc/05/41/39/555054139.db2.gz DVWUSAIOBPIKDC-UONOGXRCSA-N 1 2 373.413 2.464 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000363208663 555054141 /nfs/dbraw/zinc/05/41/41/555054141.db2.gz DVWUSAIOBPIKDC-UONOGXRCSA-N 1 2 373.413 2.464 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])C2 ZINC000363444115 555106849 /nfs/dbraw/zinc/10/68/49/555106849.db2.gz MOCRRUKMEVLHRT-CQSZACIVSA-N 1 2 358.398 2.308 20 5 FEBDLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364320915 555290605 /nfs/dbraw/zinc/29/06/05/555290605.db2.gz ALRDBQNGXGWFEM-AWEZNQCLSA-N 1 2 373.413 2.384 20 5 FEBDLO COc1ccc(C)cc1NC(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364320915 555290608 /nfs/dbraw/zinc/29/06/08/555290608.db2.gz ALRDBQNGXGWFEM-AWEZNQCLSA-N 1 2 373.413 2.384 20 5 FEBDLO CCOC(=O)c1cc(C(=O)N2CCC[C@H]2c2[nH+]ccn2C)cc([N+](=O)[O-])c1 ZINC000364532954 555331024 /nfs/dbraw/zinc/33/10/24/555331024.db2.gz PBSIVDHGRARCPZ-HNNXBMFYSA-N 1 2 372.381 2.482 20 5 FEBDLO CCc1nc(C[N@H+]2C[C@H]3CN(c4ccc(C)cc4[N+](=O)[O-])C[C@H]3C2)no1 ZINC000365033604 555469509 /nfs/dbraw/zinc/46/95/09/555469509.db2.gz AJFWJWKAVBJQTA-OKILXGFUSA-N 1 2 357.414 2.417 20 5 FEBDLO CCc1nc(C[N@@H+]2C[C@H]3CN(c4ccc(C)cc4[N+](=O)[O-])C[C@H]3C2)no1 ZINC000365033604 555469511 /nfs/dbraw/zinc/46/95/11/555469511.db2.gz AJFWJWKAVBJQTA-OKILXGFUSA-N 1 2 357.414 2.417 20 5 FEBDLO COC(=O)C[C@@](C)([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(F)c1 ZINC000513150305 561927061 /nfs/dbraw/zinc/92/70/61/561927061.db2.gz PFBZHFRJKHSRNS-MRXNPFEDSA-N 1 2 350.350 2.036 20 5 FEBDLO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000365592739 555617641 /nfs/dbraw/zinc/61/76/41/555617641.db2.gz AJGNZLDBUPZFTN-OGHNNQOOSA-N 1 2 365.405 2.159 20 5 FEBDLO O=C(C[NH+]1CCC(c2nnc[nH]2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000365925296 555702580 /nfs/dbraw/zinc/70/25/80/555702580.db2.gz VFJOJSZPPIFMSS-UHFFFAOYSA-N 1 2 364.793 2.184 20 5 FEBDLO CCN1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000366251475 555793309 /nfs/dbraw/zinc/79/33/09/555793309.db2.gz OYZGSXPCXHDWPR-HNNXBMFYSA-N 1 2 360.374 2.105 20 5 FEBDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514204521 561963576 /nfs/dbraw/zinc/96/35/76/561963576.db2.gz SMMNXSHGPLNZAM-UHFFFAOYSA-N 1 2 373.356 2.037 20 5 FEBDLO CC1(C)COCC[N@H+]1CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514204521 561963578 /nfs/dbraw/zinc/96/35/78/561963578.db2.gz SMMNXSHGPLNZAM-UHFFFAOYSA-N 1 2 373.356 2.037 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000366975380 555986735 /nfs/dbraw/zinc/98/67/35/555986735.db2.gz KYRYKPHHQWTHTL-UHFFFAOYSA-N 1 2 358.398 2.499 20 5 FEBDLO CCc1n[nH]c(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000367306128 556014402 /nfs/dbraw/zinc/01/44/02/556014402.db2.gz UPSLRXZBVIPRFQ-ZDUSSCGKSA-N 1 2 363.805 2.320 20 5 FEBDLO CCc1[nH]nc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000367306128 556014407 /nfs/dbraw/zinc/01/44/07/556014407.db2.gz UPSLRXZBVIPRFQ-ZDUSSCGKSA-N 1 2 363.805 2.320 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000368267330 556263636 /nfs/dbraw/zinc/26/36/36/556263636.db2.gz ZXNBEHQAZMXXPE-AWEZNQCLSA-N 1 2 363.414 2.290 20 5 FEBDLO Cc1ccsc1CNC(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369016259 556477151 /nfs/dbraw/zinc/47/71/51/556477151.db2.gz JADZJJOGGGKEOV-CYBMUJFWSA-N 1 2 363.443 2.115 20 5 FEBDLO Cc1ccsc1CNC(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369016259 556477157 /nfs/dbraw/zinc/47/71/57/556477157.db2.gz JADZJJOGGGKEOV-CYBMUJFWSA-N 1 2 363.443 2.115 20 5 FEBDLO Cc1cc(C2=CCN(C(=O)CCc3c[nH+]cn3C)CC2)cc([N+](=O)[O-])c1N ZINC000369102086 556505466 /nfs/dbraw/zinc/50/54/66/556505466.db2.gz UPICMLXVOFPMAD-UHFFFAOYSA-N 1 2 369.425 2.467 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000369351598 556576951 /nfs/dbraw/zinc/57/69/51/556576951.db2.gz FGWVZWLBVPIPST-OAHLLOKOSA-N 1 2 357.414 2.460 20 5 FEBDLO CCOC(=O)c1ccnc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000369677946 556666466 /nfs/dbraw/zinc/66/64/66/556666466.db2.gz BBUZWNOMDAJQHX-CYBMUJFWSA-N 1 2 358.354 2.219 20 5 FEBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)no1 ZINC000369890746 556722263 /nfs/dbraw/zinc/72/22/63/556722263.db2.gz APYGLSOSXHLLEG-LBPRGKRZSA-N 1 2 363.374 2.006 20 5 FEBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)no1 ZINC000369890746 556722264 /nfs/dbraw/zinc/72/22/64/556722264.db2.gz APYGLSOSXHLLEG-LBPRGKRZSA-N 1 2 363.374 2.006 20 5 FEBDLO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC(n3cc(-c4ccccc4)nn3)C2)c1 ZINC000369986751 556749603 /nfs/dbraw/zinc/74/96/03/556749603.db2.gz RTJQSRHZZUSGGH-LJQANCHMSA-N 1 2 365.393 2.444 20 5 FEBDLO Cc1cc(N2CCC(NC(=O)c3cccc([N+](=O)[O-])c3C)CC2)nc[nH+]1 ZINC000370266977 556825887 /nfs/dbraw/zinc/82/58/87/556825887.db2.gz BZJXSBZVCDBVNH-UHFFFAOYSA-N 1 2 355.398 2.400 20 5 FEBDLO O=C(C[N@@H+]1CCCN(c2cncc(F)c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000370793162 556970194 /nfs/dbraw/zinc/97/01/94/556970194.db2.gz IUZMJGWOBLZMBJ-UHFFFAOYSA-N 1 2 373.388 2.280 20 5 FEBDLO O=C(C[N@H+]1CCCN(c2cncc(F)c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000370793162 556970199 /nfs/dbraw/zinc/97/01/99/556970199.db2.gz IUZMJGWOBLZMBJ-UHFFFAOYSA-N 1 2 373.388 2.280 20 5 FEBDLO CC(=O)c1ccc(N2CC[NH+](C3(C(N)=O)CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000370975966 557033393 /nfs/dbraw/zinc/03/33/93/557033393.db2.gz IWTBUNBSRLIQRN-UHFFFAOYSA-N 1 2 374.441 2.108 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000371666518 557256791 /nfs/dbraw/zinc/25/67/91/557256791.db2.gz VEVNPAIEZJCCND-INIZCTEOSA-N 1 2 366.381 2.491 20 5 FEBDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000372856147 557576152 /nfs/dbraw/zinc/57/61/52/557576152.db2.gz IBTXGZCYYAPMSP-GDBMZVCRSA-N 1 2 362.336 2.443 20 5 FEBDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000372856147 557576155 /nfs/dbraw/zinc/57/61/55/557576155.db2.gz IBTXGZCYYAPMSP-GDBMZVCRSA-N 1 2 362.336 2.443 20 5 FEBDLO CN(C)c1[nH+]cccc1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000520057330 562148895 /nfs/dbraw/zinc/14/88/95/562148895.db2.gz NEPMEWHEYGQNOI-UHFFFAOYSA-N 1 2 366.381 2.172 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CCn2cc[nH+]c2-c2cccnc2)cc1 ZINC000373268695 557662286 /nfs/dbraw/zinc/66/22/86/557662286.db2.gz QLYSEEFYFZYEFR-UHFFFAOYSA-N 1 2 358.379 2.327 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000373805377 557763124 /nfs/dbraw/zinc/76/31/24/557763124.db2.gz OAAXZUCHHBZISS-LBTNJELSSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000373805377 557763126 /nfs/dbraw/zinc/76/31/26/557763126.db2.gz OAAXZUCHHBZISS-LBTNJELSSA-N 1 2 363.414 2.192 20 5 FEBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ncnn3-c3ccccc3)CC2)n1 ZINC000374174058 557837192 /nfs/dbraw/zinc/83/71/92/557837192.db2.gz IJMOAGDINLPGTF-UHFFFAOYSA-N 1 2 353.386 2.209 20 5 FEBDLO O=C(NC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000374188263 557840773 /nfs/dbraw/zinc/84/07/73/557840773.db2.gz AKUUUQSHVLIACG-UHFFFAOYSA-N 1 2 369.381 2.459 20 5 FEBDLO Cc1c(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000374331251 557866983 /nfs/dbraw/zinc/86/69/83/557866983.db2.gz PGUZOXWNOLGAIF-INIZCTEOSA-N 1 2 368.393 2.145 20 5 FEBDLO Cc1c(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000374331251 557866985 /nfs/dbraw/zinc/86/69/85/557866985.db2.gz PGUZOXWNOLGAIF-INIZCTEOSA-N 1 2 368.393 2.145 20 5 FEBDLO COc1ccccc1[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000374346040 557869066 /nfs/dbraw/zinc/86/90/66/557869066.db2.gz PJJVMVCCTKTAIU-HNNXBMFYSA-N 1 2 371.393 2.155 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)CCC2 ZINC000374434090 557883459 /nfs/dbraw/zinc/88/34/59/557883459.db2.gz DTWRBRWRMMRHCC-ZDUSSCGKSA-N 1 2 364.427 2.264 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])CCC2 ZINC000374438741 557884300 /nfs/dbraw/zinc/88/43/00/557884300.db2.gz RLYKCUAXLHFSTI-AWEZNQCLSA-N 1 2 357.414 2.230 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2Cc2ccc([N+](=O)[O-])cc2OC)O1 ZINC000374574352 557901563 /nfs/dbraw/zinc/90/15/63/557901563.db2.gz ZTAQHUKLMNTDED-CYHLAULCSA-N 1 2 364.398 2.287 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2Cc2ccc([N+](=O)[O-])cc2OC)O1 ZINC000374574352 557901564 /nfs/dbraw/zinc/90/15/64/557901564.db2.gz ZTAQHUKLMNTDED-CYHLAULCSA-N 1 2 364.398 2.287 20 5 FEBDLO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000374915336 557950571 /nfs/dbraw/zinc/95/05/71/557950571.db2.gz QYLZHLMRFAWWLS-HNNXBMFYSA-N 1 2 363.805 2.008 20 5 FEBDLO Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000375368020 558016158 /nfs/dbraw/zinc/01/61/58/558016158.db2.gz QTCOVRKEBFGQPD-RDTXWAMCSA-N 1 2 366.381 2.308 20 5 FEBDLO Cc1ncccc1O[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000375458659 558031011 /nfs/dbraw/zinc/03/10/11/558031011.db2.gz QFSCBUFJXJADEX-AWEZNQCLSA-N 1 2 356.382 2.390 20 5 FEBDLO Cc1ncccc1O[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000375458659 558031013 /nfs/dbraw/zinc/03/10/13/558031013.db2.gz QFSCBUFJXJADEX-AWEZNQCLSA-N 1 2 356.382 2.390 20 5 FEBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cc(O)ccc1[N+](=O)[O-] ZINC000376062141 558121582 /nfs/dbraw/zinc/12/15/82/558121582.db2.gz PANGOVAHYPMWLH-VQFNDLOPSA-N 1 2 353.378 2.161 20 5 FEBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cc(O)ccc1[N+](=O)[O-] ZINC000376062141 558121583 /nfs/dbraw/zinc/12/15/83/558121583.db2.gz PANGOVAHYPMWLH-VQFNDLOPSA-N 1 2 353.378 2.161 20 5 FEBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000376116146 558128783 /nfs/dbraw/zinc/12/87/83/558128783.db2.gz PPHORMXVGQBONV-UHFFFAOYSA-N 1 2 372.381 2.171 20 5 FEBDLO Cc1cn2c([nH+]1)CN(C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-])CC2 ZINC000376263189 558149369 /nfs/dbraw/zinc/14/93/69/558149369.db2.gz CIRDOVRYOGDCCS-UHFFFAOYSA-N 1 2 372.429 2.436 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOCC2(CCC2)C1 ZINC000376307619 558155607 /nfs/dbraw/zinc/15/56/07/558155607.db2.gz YHYWPESRFNVRQF-UHFFFAOYSA-N 1 2 356.382 2.423 20 5 FEBDLO Cc1cc([C@@H]2CCC[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)[nH]n1 ZINC000376489689 558179780 /nfs/dbraw/zinc/17/97/80/558179780.db2.gz DRWGNKOISNZJFG-OAHLLOKOSA-N 1 2 369.425 2.395 20 5 FEBDLO Cc1cc([C@@H]2CCC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)[nH]n1 ZINC000376489689 558179782 /nfs/dbraw/zinc/17/97/82/558179782.db2.gz DRWGNKOISNZJFG-OAHLLOKOSA-N 1 2 369.425 2.395 20 5 FEBDLO Cc1cc([C@@H]2CCC[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)n[nH]1 ZINC000376489689 558179784 /nfs/dbraw/zinc/17/97/84/558179784.db2.gz DRWGNKOISNZJFG-OAHLLOKOSA-N 1 2 369.425 2.395 20 5 FEBDLO Cc1cc([C@@H]2CCC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)n[nH]1 ZINC000376489689 558179786 /nfs/dbraw/zinc/17/97/86/558179786.db2.gz DRWGNKOISNZJFG-OAHLLOKOSA-N 1 2 369.425 2.395 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C2 ZINC000377187839 558284522 /nfs/dbraw/zinc/28/45/22/558284522.db2.gz HTLZDOOPGNVEQO-ZDUSSCGKSA-N 1 2 364.427 2.010 20 5 FEBDLO O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000377442347 558341703 /nfs/dbraw/zinc/34/17/03/558341703.db2.gz WELUURTUSWMHJG-LSDHHAIUSA-N 1 2 371.359 2.451 20 5 FEBDLO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378071422 558474513 /nfs/dbraw/zinc/47/45/13/558474513.db2.gz CAWLLIMMWDNJAP-UHFFFAOYSA-N 1 2 358.354 2.109 20 5 FEBDLO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378071422 558474515 /nfs/dbraw/zinc/47/45/15/558474515.db2.gz CAWLLIMMWDNJAP-UHFFFAOYSA-N 1 2 358.354 2.109 20 5 FEBDLO CCCc1n[nH]c(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000524636344 562231501 /nfs/dbraw/zinc/23/15/01/562231501.db2.gz UXZPVTUSWKOOPS-UHFFFAOYSA-N 1 2 368.397 2.445 20 5 FEBDLO CC(C)Oc1cc(C(=O)NCC(C)(C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000411139515 558843789 /nfs/dbraw/zinc/84/37/89/558843789.db2.gz SVSHKZXRUUFKIF-UHFFFAOYSA-N 1 2 365.430 2.223 20 5 FEBDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000525608310 562250791 /nfs/dbraw/zinc/25/07/91/562250791.db2.gz RHFOUCMRELAFJU-UHFFFAOYSA-N 1 2 360.370 2.149 20 5 FEBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000411833204 558972772 /nfs/dbraw/zinc/97/27/72/558972772.db2.gz HPLYPSJEGDSETF-UHFFFAOYSA-N 1 2 373.862 2.248 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000411937289 558991593 /nfs/dbraw/zinc/99/15/93/558991593.db2.gz JBFAVEFJPJKXMH-PBHICJAKSA-N 1 2 371.393 2.350 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000411937289 558991594 /nfs/dbraw/zinc/99/15/94/558991594.db2.gz JBFAVEFJPJKXMH-PBHICJAKSA-N 1 2 371.393 2.350 20 5 FEBDLO Cc1nnc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000412024081 559003330 /nfs/dbraw/zinc/00/33/30/559003330.db2.gz BEYUPRUGALIKLU-YPMHNXCESA-N 1 2 358.402 2.146 20 5 FEBDLO Cc1nnc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000412024081 559003331 /nfs/dbraw/zinc/00/33/31/559003331.db2.gz BEYUPRUGALIKLU-YPMHNXCESA-N 1 2 358.402 2.146 20 5 FEBDLO Cc1n[nH]c([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000412024081 559003333 /nfs/dbraw/zinc/00/33/33/559003333.db2.gz BEYUPRUGALIKLU-YPMHNXCESA-N 1 2 358.402 2.146 20 5 FEBDLO Cc1n[nH]c([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000412024081 559003334 /nfs/dbraw/zinc/00/33/34/559003334.db2.gz BEYUPRUGALIKLU-YPMHNXCESA-N 1 2 358.402 2.146 20 5 FEBDLO CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C[NH+]1CCOCC1 ZINC000412083506 559011082 /nfs/dbraw/zinc/01/10/82/559011082.db2.gz BBXMXOIDJKZPTJ-UHFFFAOYSA-N 1 2 365.430 2.004 20 5 FEBDLO CCS(=O)(=O)N1CCC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413038195 559071585 /nfs/dbraw/zinc/07/15/85/559071585.db2.gz GLLZZSUYKVOORM-UHFFFAOYSA-N 1 2 364.427 2.369 20 5 FEBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000413790098 559130409 /nfs/dbraw/zinc/13/04/09/559130409.db2.gz ZPHZEOHBHZCVKK-RCCFBDPRSA-N 1 2 352.394 2.266 20 5 FEBDLO CNC(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000414547549 559170735 /nfs/dbraw/zinc/17/07/35/559170735.db2.gz VRAKUEQBXNBLRR-UHFFFAOYSA-N 1 2 358.345 2.090 20 5 FEBDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416497079 559317723 /nfs/dbraw/zinc/31/77/23/559317723.db2.gz RDMXRPFCHKUQTC-LBPRGKRZSA-N 1 2 352.416 2.468 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420695560 559498848 /nfs/dbraw/zinc/49/88/48/559498848.db2.gz FNWMBAULYGTXEW-UHFFFAOYSA-N 1 2 351.384 2.094 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000421443246 559542646 /nfs/dbraw/zinc/54/26/46/559542646.db2.gz ZHRSPXYVYJCKPN-UHFFFAOYSA-N 1 2 370.409 2.373 20 5 FEBDLO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000425311088 559696020 /nfs/dbraw/zinc/69/60/20/559696020.db2.gz FNURRZZFHCZIGO-UHFFFAOYSA-N 1 2 368.397 2.300 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H](n2ccnn2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000425505388 559706367 /nfs/dbraw/zinc/70/63/67/559706367.db2.gz YNDPEQDVIIQSOK-LBPRGKRZSA-N 1 2 364.793 2.115 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H](n2ccnn2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000425505388 559706368 /nfs/dbraw/zinc/70/63/68/559706368.db2.gz YNDPEQDVIIQSOK-LBPRGKRZSA-N 1 2 364.793 2.115 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425545547 559708933 /nfs/dbraw/zinc/70/89/33/559708933.db2.gz KAEKBSABZZEKJS-NXEZZACHSA-N 1 2 364.793 2.183 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425545547 559708934 /nfs/dbraw/zinc/70/89/34/559708934.db2.gz KAEKBSABZZEKJS-NXEZZACHSA-N 1 2 364.793 2.183 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]c(NC[C@H](c3cccs3)[NH+]3CCOCC3)nc2c1 ZINC000427992977 559767174 /nfs/dbraw/zinc/76/71/74/559767174.db2.gz NGTWLCILEBTTNS-OAHLLOKOSA-N 1 2 373.438 2.440 20 5 FEBDLO CCOc1ccc(C(=O)N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000433113590 559872239 /nfs/dbraw/zinc/87/22/39/559872239.db2.gz LGSYZCAKWJUVKB-HNNXBMFYSA-N 1 2 373.413 2.236 20 5 FEBDLO COc1cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc([N+](=O)[O-])c1OC ZINC000434287443 559897246 /nfs/dbraw/zinc/89/72/46/559897246.db2.gz KDLVCUIFICQTCL-UHFFFAOYSA-N 1 2 360.370 2.355 20 5 FEBDLO COc1cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc([N+](=O)[O-])c1OC ZINC000434287443 559897247 /nfs/dbraw/zinc/89/72/47/559897247.db2.gz KDLVCUIFICQTCL-UHFFFAOYSA-N 1 2 360.370 2.355 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nc(CC(F)(F)F)no3)C2)nc1 ZINC000440487075 560012077 /nfs/dbraw/zinc/01/20/77/560012077.db2.gz KNXUVMPRYVLOGQ-SECBINFHSA-N 1 2 372.307 2.164 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3nc(CC(F)(F)F)no3)C2)nc1 ZINC000440487075 560012078 /nfs/dbraw/zinc/01/20/78/560012078.db2.gz KNXUVMPRYVLOGQ-SECBINFHSA-N 1 2 372.307 2.164 20 5 FEBDLO Cc1nc(N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000440647776 560015340 /nfs/dbraw/zinc/01/53/40/560015340.db2.gz VGXMUSVLHZKBLX-QGZVFWFLSA-N 1 2 350.419 2.198 20 5 FEBDLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000447381215 560161058 /nfs/dbraw/zinc/16/10/58/560161058.db2.gz GFYKHEZGOOYVLI-IUODEOHRSA-N 1 2 358.822 2.094 20 5 FEBDLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000447381215 560161059 /nfs/dbraw/zinc/16/10/59/560161059.db2.gz GFYKHEZGOOYVLI-IUODEOHRSA-N 1 2 358.822 2.094 20 5 FEBDLO COc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1[N+](=O)[O-] ZINC000449600834 560234505 /nfs/dbraw/zinc/23/45/05/560234505.db2.gz LCHQAVADDYEIIN-LBPRGKRZSA-N 1 2 357.357 2.339 20 5 FEBDLO COc1ccc(C[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1[N+](=O)[O-] ZINC000449600834 560234506 /nfs/dbraw/zinc/23/45/06/560234506.db2.gz LCHQAVADDYEIIN-LBPRGKRZSA-N 1 2 357.357 2.339 20 5 FEBDLO Cn1cc(I)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000449606965 560234685 /nfs/dbraw/zinc/23/46/85/560234685.db2.gz UJNHVXNVMBEXBT-UHFFFAOYSA-N 1 2 372.166 2.223 20 5 FEBDLO O=C(NC[C@@H]1CC[NH2+]CC1(F)F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000449652543 560235691 /nfs/dbraw/zinc/23/56/91/560235691.db2.gz QGJAXNZDBKFHNJ-NSHDSACASA-N 1 2 354.357 2.144 20 5 FEBDLO C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCC[C@H]1O ZINC000450084981 560250259 /nfs/dbraw/zinc/25/02/59/560250259.db2.gz KESVBOJJMYNNOZ-SJLPKXTDSA-N 1 2 358.398 2.452 20 5 FEBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000450835701 560275198 /nfs/dbraw/zinc/27/51/98/560275198.db2.gz XQQUAWIBVVHRKZ-LLVKDONJSA-N 1 2 367.431 2.235 20 5 FEBDLO C/C=C\C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OCC ZINC000450904611 560277932 /nfs/dbraw/zinc/27/79/32/560277932.db2.gz BZSUOLSBNZBHGW-MFBWXBCUSA-N 1 2 372.381 2.408 20 5 FEBDLO O=C(CCC(=O)N1CC[NH2+][C@@H](c2cccnc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000451666845 560320950 /nfs/dbraw/zinc/32/09/50/560320950.db2.gz SGWYKSDNSQFMPY-QGZVFWFLSA-N 1 2 368.393 2.126 20 5 FEBDLO Cc1sc(S(=O)(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000451692762 560322368 /nfs/dbraw/zinc/32/23/68/560322368.db2.gz VKCCBRPNPQSKMJ-LBPRGKRZSA-N 1 2 370.456 2.470 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451883028 560334381 /nfs/dbraw/zinc/33/43/81/560334381.db2.gz CUSDYRCSBQLQMY-YGRLFVJLSA-N 1 2 361.320 2.087 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451883028 560334382 /nfs/dbraw/zinc/33/43/82/560334382.db2.gz CUSDYRCSBQLQMY-YGRLFVJLSA-N 1 2 361.320 2.087 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000451944576 560339705 /nfs/dbraw/zinc/33/97/05/560339705.db2.gz GIBWDEKNCIEMCY-RYUDHWBXSA-N 1 2 350.400 2.392 20 5 FEBDLO COc1ccc(S(=O)(=O)NCc2c[nH+]c(C)cc2C)c([N+](=O)[O-])c1 ZINC000452048446 560347799 /nfs/dbraw/zinc/34/77/99/560347799.db2.gz QAABYQCVVCXMLS-UHFFFAOYSA-N 1 2 351.384 2.094 20 5 FEBDLO CC1(C)CCC[C@]1(O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452153106 560353973 /nfs/dbraw/zinc/35/39/73/560353973.db2.gz QIODUXIUECGBSC-SFHVURJKSA-N 1 2 358.398 2.452 20 5 FEBDLO O=C(NCC1(CF)CCOCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452812335 560375012 /nfs/dbraw/zinc/37/50/12/560375012.db2.gz SMTSYDJHHSEUCO-UHFFFAOYSA-N 1 2 362.361 2.277 20 5 FEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000453570523 560389053 /nfs/dbraw/zinc/38/90/53/560389053.db2.gz ALHNFSIIWJCYSM-UHFFFAOYSA-N 1 2 370.335 2.071 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000458024024 560599714 /nfs/dbraw/zinc/59/97/14/560599714.db2.gz WSSPPPBYDQMPHY-PBHICJAKSA-N 1 2 368.393 2.422 20 5 FEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000459054436 560664371 /nfs/dbraw/zinc/66/43/71/560664371.db2.gz IGNIYLYWBUFYTF-GFCCVEGCSA-N 1 2 359.386 2.345 20 5 FEBDLO C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459498655 560689936 /nfs/dbraw/zinc/68/99/36/560689936.db2.gz VVASPUYLLYHJKF-OAHLLOKOSA-N 1 2 369.425 2.163 20 5 FEBDLO Cc1cc(C(=O)N2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)[C@H](C)C2)[nH]n1 ZINC000459558685 560694188 /nfs/dbraw/zinc/69/41/88/560694188.db2.gz ASTPVFSVHSRYGH-CQSZACIVSA-N 1 2 357.414 2.015 20 5 FEBDLO Cc1cc(C(=O)N2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)[C@H](C)C2)[nH]n1 ZINC000459558685 560694189 /nfs/dbraw/zinc/69/41/89/560694189.db2.gz ASTPVFSVHSRYGH-CQSZACIVSA-N 1 2 357.414 2.015 20 5 FEBDLO Cc1cc(C(=O)N2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)[C@H](C)C2)n[nH]1 ZINC000459558685 560694190 /nfs/dbraw/zinc/69/41/90/560694190.db2.gz ASTPVFSVHSRYGH-CQSZACIVSA-N 1 2 357.414 2.015 20 5 FEBDLO Cc1cc(C(=O)N2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)[C@H](C)C2)n[nH]1 ZINC000459558685 560694191 /nfs/dbraw/zinc/69/41/91/560694191.db2.gz ASTPVFSVHSRYGH-CQSZACIVSA-N 1 2 357.414 2.015 20 5 FEBDLO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc2[nH+]ccn21 ZINC000460334744 560741560 /nfs/dbraw/zinc/74/15/60/560741560.db2.gz YZQAHMHJEUKZRE-UHFFFAOYSA-N 1 2 353.338 2.001 20 5 FEBDLO Nc1c(C(=O)NCCNc2ccc3ccccc3[nH+]2)cc(F)cc1[N+](=O)[O-] ZINC000461465398 560772786 /nfs/dbraw/zinc/77/27/86/560772786.db2.gz FNUOIABFFXQXKY-UHFFFAOYSA-N 1 2 369.356 2.706 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@H](n2cccn2)C1 ZINC000461871203 560785720 /nfs/dbraw/zinc/78/57/20/560785720.db2.gz LPFWJACXXNGVGL-INIZCTEOSA-N 1 2 357.414 2.075 20 5 FEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000464536712 560844651 /nfs/dbraw/zinc/84/46/51/560844651.db2.gz UWWKZCUTQOYQIG-CYBMUJFWSA-N 1 2 367.471 2.500 20 5 FEBDLO O=C(NCCc1cn2ccccc2[nH+]1)NCCc1ccccc1[N+](=O)[O-] ZINC000465585931 560868976 /nfs/dbraw/zinc/86/89/76/560868976.db2.gz WAPWOHZZBRVFST-UHFFFAOYSA-N 1 2 353.382 2.327 20 5 FEBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C1([NH+]2CCOCC2)CCC1 ZINC000466303516 560884013 /nfs/dbraw/zinc/88/40/13/560884013.db2.gz UZYSJDLTNWDEBZ-UHFFFAOYSA-N 1 2 353.806 2.119 20 5 FEBDLO O=C(NCc1cn2ccccc2[nH+]1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000468439193 560929944 /nfs/dbraw/zinc/92/99/44/560929944.db2.gz NAZYMQWATXXPMZ-UHFFFAOYSA-N 1 2 367.365 2.215 20 5 FEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000470177769 560976164 /nfs/dbraw/zinc/97/61/64/560976164.db2.gz FVSXARJCQMKSFM-ASNKMWSDSA-N 1 2 372.469 2.283 20 5 FEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000470177769 560976165 /nfs/dbraw/zinc/97/61/65/560976165.db2.gz FVSXARJCQMKSFM-ASNKMWSDSA-N 1 2 372.469 2.283 20 5 FEBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000531149194 562436419 /nfs/dbraw/zinc/43/64/19/562436419.db2.gz GMYIMJACIPLCKO-MRXNPFEDSA-N 1 2 351.366 2.430 20 5 FEBDLO C[C@H]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000531584687 562450833 /nfs/dbraw/zinc/45/08/33/562450833.db2.gz LBEQILBZBMDQGR-WMLDXEAASA-N 1 2 373.413 2.463 20 5 FEBDLO COc1ccc(CC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000531834923 562458452 /nfs/dbraw/zinc/45/84/52/562458452.db2.gz WWCGUUBFUZPDQD-CJNGLKHVSA-N 1 2 358.398 2.452 20 5 FEBDLO Cc1cccc2ncc(C[NH+]3CCN(c4ccc([N+](=O)[O-])nc4)CC3)n21 ZINC000534336849 562532028 /nfs/dbraw/zinc/53/20/28/562532028.db2.gz NMSMDZRVBRVWDU-UHFFFAOYSA-N 1 2 352.398 2.268 20 5 FEBDLO O=c1c2ccccc2ncn1CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534510387 562535367 /nfs/dbraw/zinc/53/53/67/562535367.db2.gz TYYBFMOZOGBTMF-UHFFFAOYSA-N 1 2 350.378 2.363 20 5 FEBDLO O=c1c2ccccc2ncn1CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534510387 562535368 /nfs/dbraw/zinc/53/53/68/562535368.db2.gz TYYBFMOZOGBTMF-UHFFFAOYSA-N 1 2 350.378 2.363 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(c2c[nH+]ccc2C)CC1 ZINC000534975069 562546515 /nfs/dbraw/zinc/54/65/15/562546515.db2.gz DKFFLONQUXRHGV-UHFFFAOYSA-N 1 2 369.425 2.367 20 5 FEBDLO Cc1cc(NC2CCC(C(N)=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000535231114 562553647 /nfs/dbraw/zinc/55/36/47/562553647.db2.gz RYMOSOPELVIXAB-UHFFFAOYSA-N 1 2 355.398 2.238 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000537118237 562585786 /nfs/dbraw/zinc/58/57/86/562585786.db2.gz AXMFDTDRDQUTAX-ZDUSSCGKSA-N 1 2 373.388 2.278 20 5 FEBDLO CCOC(=O)[C@H](CC(C)C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000541072252 562602162 /nfs/dbraw/zinc/60/21/62/562602162.db2.gz 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COc1c(O)ccc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000896061034 689813982 /nfs/dbraw/zinc/81/39/82/689813982.db2.gz TWZQVGJZCSWBLY-ZDUSSCGKSA-N 1 2 350.293 2.056 20 5 FEBDLO COc1c(O)ccc(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000896061034 689813988 /nfs/dbraw/zinc/81/39/88/689813988.db2.gz TWZQVGJZCSWBLY-ZDUSSCGKSA-N 1 2 350.293 2.056 20 5 FEBDLO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000899968639 690454175 /nfs/dbraw/zinc/45/41/75/690454175.db2.gz HRMYDMYRQMRZOV-LBPRGKRZSA-N 1 2 371.796 2.324 20 5 FEBDLO C[C@@H]1C[N@H+](CCNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000906487723 691276254 /nfs/dbraw/zinc/27/62/54/691276254.db2.gz GRVWFZMMKSEDLV-GFCCVEGCSA-N 1 2 355.822 2.018 20 5 FEBDLO C[C@@H]1C[N@@H+](CCNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000906487723 691276257 /nfs/dbraw/zinc/27/62/57/691276257.db2.gz GRVWFZMMKSEDLV-GFCCVEGCSA-N 1 2 355.822 2.018 20 5 FEBDLO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000909025902 691768005 /nfs/dbraw/zinc/76/80/05/691768005.db2.gz YFHXBQOFKBTUAD-GASCZTMLSA-N 1 2 367.833 2.160 20 5 FEBDLO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000909025902 691768008 /nfs/dbraw/zinc/76/80/08/691768008.db2.gz YFHXBQOFKBTUAD-GASCZTMLSA-N 1 2 367.833 2.160 20 5 FEBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC001164918474 721814710 /nfs/dbraw/zinc/81/47/10/721814710.db2.gz ZOZTWGOCMQOCII-UHFFFAOYSA-N 1 2 360.393 2.075 20 5 FEBDLO CCc1ccc(NC(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000026481834 539787070 /nfs/dbraw/zinc/78/70/70/539787070.db2.gz WFWXYHNQRBUMLJ-UHFFFAOYSA-N 1 2 369.425 2.313 20 5 FEBDLO Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026485393 539787931 /nfs/dbraw/zinc/78/79/31/539787931.db2.gz YRIDLLAQOBMEFA-OAHLLOKOSA-N 1 2 369.425 2.447 20 5 FEBDLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000026484578 539788146 /nfs/dbraw/zinc/78/81/46/539788146.db2.gz JLMBHKUBHJVFIY-HNNXBMFYSA-N 1 2 369.425 2.447 20 5 FEBDLO COc1ncccc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032161484 539930898 /nfs/dbraw/zinc/93/08/98/539930898.db2.gz USPUXKVINGDOGY-UHFFFAOYSA-N 1 2 353.338 2.114 20 5 FEBDLO COc1cc(C(=O)NCc2ccc[nH+]c2N(C)C)c([N+](=O)[O-])cc1OC ZINC000043050667 540086711 /nfs/dbraw/zinc/08/67/11/540086711.db2.gz LIMFATYQAZKVEB-UHFFFAOYSA-N 1 2 360.370 2.003 20 5 FEBDLO Cc1ccc(NC(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1[N+](=O)[O-] ZINC000043147807 540091612 /nfs/dbraw/zinc/09/16/12/540091612.db2.gz PTZFRUGDIAQSQU-UHFFFAOYSA-N 1 2 371.397 2.457 20 5 FEBDLO Cc1c(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)cccc1[N+](=O)[O-] ZINC000046715809 540267863 /nfs/dbraw/zinc/26/78/63/540267863.db2.gz NSAKTQCZVRBZGX-CYBMUJFWSA-N 1 2 370.409 2.453 20 5 FEBDLO CNc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000046618447 540264150 /nfs/dbraw/zinc/26/41/50/540264150.db2.gz HPAFRTPKIVWUIG-UHFFFAOYSA-N 1 2 355.398 2.430 20 5 FEBDLO Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000047031462 540286546 /nfs/dbraw/zinc/28/65/46/540286546.db2.gz YQYPTQVQIZITTK-CQSZACIVSA-N 1 2 353.400 2.077 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2cnc(C)s2)c([N+](=O)[O-])c1 ZINC000047259006 540299423 /nfs/dbraw/zinc/29/94/23/540299423.db2.gz FBYVNKSCWSZGOV-UHFFFAOYSA-N 1 2 350.400 2.439 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2cnc(C)s2)c([N+](=O)[O-])c1 ZINC000047259006 540299425 /nfs/dbraw/zinc/29/94/25/540299425.db2.gz FBYVNKSCWSZGOV-UHFFFAOYSA-N 1 2 350.400 2.439 20 5 FEBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccco2)CC1 ZINC000047623758 540321078 /nfs/dbraw/zinc/32/10/78/540321078.db2.gz SQXANCALQUAQJD-UHFFFAOYSA-N 1 2 359.382 2.301 20 5 FEBDLO O=C(C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1CCc2ccccc21 ZINC000047742919 540326710 /nfs/dbraw/zinc/32/67/10/540326710.db2.gz SAFSXEFJXNDSLT-UHFFFAOYSA-N 1 2 366.421 2.306 20 5 FEBDLO O=C(c1ccsc1)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000052240727 540459733 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FEBDLO COC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000066835674 541377252 /nfs/dbraw/zinc/37/72/52/541377252.db2.gz RFHYAUUMSHJCSZ-MNOVXSKESA-N 1 2 369.805 2.460 20 5 FEBDLO COC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000066835674 541377257 /nfs/dbraw/zinc/37/72/57/541377257.db2.gz RFHYAUUMSHJCSZ-MNOVXSKESA-N 1 2 369.805 2.460 20 5 FEBDLO C[C@H](COCC(F)(F)F)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000067279140 541440704 /nfs/dbraw/zinc/44/07/04/541440704.db2.gz PWYGFRHAQXRHAE-SNVBAGLBSA-N 1 2 372.303 2.478 20 5 FEBDLO CCCNC(=O)C[N@H+](CCC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072579065 541834341 /nfs/dbraw/zinc/83/43/41/541834341.db2.gz JLTKPLURIHNSJI-UHFFFAOYSA-N 1 2 350.419 2.080 20 5 FEBDLO CCCNC(=O)C[N@@H+](CCC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072579065 541834343 /nfs/dbraw/zinc/83/43/43/541834343.db2.gz JLTKPLURIHNSJI-UHFFFAOYSA-N 1 2 350.419 2.080 20 5 FEBDLO CC[C@@H](CO)N1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000072798238 541866966 /nfs/dbraw/zinc/86/69/66/541866966.db2.gz DHQQXIVUJBIAKI-INIZCTEOSA-N 1 2 374.441 2.181 20 5 FEBDLO Nc1c(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc(F)cc1[N+](=O)[O-] ZINC000076965295 542335589 /nfs/dbraw/zinc/33/55/89/542335589.db2.gz CVPNDRDEJRTVMY-UHFFFAOYSA-N 1 2 355.329 2.432 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089927058 542774503 /nfs/dbraw/zinc/77/45/03/542774503.db2.gz XDXVYYPXGWTYQW-CHWSQXEVSA-N 1 2 351.403 2.025 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089927058 542774506 /nfs/dbraw/zinc/77/45/06/542774506.db2.gz XDXVYYPXGWTYQW-CHWSQXEVSA-N 1 2 351.403 2.025 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000247447562 549334470 /nfs/dbraw/zinc/33/44/70/549334470.db2.gz JBMPRKIIJIYACB-XJKSGUPXSA-N 1 2 373.413 2.322 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000247447562 549334473 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CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000134322834 544303083 /nfs/dbraw/zinc/30/30/83/544303083.db2.gz SABBKSWEYUMHON-GFCCVEGCSA-N 1 2 361.851 2.150 20 5 FEBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000139755731 544404596 /nfs/dbraw/zinc/40/45/96/544404596.db2.gz VAEGIWQFEPJJGF-UHFFFAOYSA-N 1 2 351.366 2.473 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151143139 544509840 /nfs/dbraw/zinc/50/98/40/544509840.db2.gz TYBGWHKCYPDYTE-OAHLLOKOSA-N 1 2 363.395 2.140 20 5 FEBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCc1cccnc1-n1cc[nH+]c1 ZINC000154139574 544869413 /nfs/dbraw/zinc/86/94/13/544869413.db2.gz WDTVCPVFZBWGQB-UHFFFAOYSA-N 1 2 351.366 2.425 20 5 FEBDLO COc1cc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000154198326 544875477 /nfs/dbraw/zinc/87/54/77/544875477.db2.gz LGVDSFMFWUPRBO-UHFFFAOYSA-N 1 2 356.382 2.397 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1[nH+]ccn1CC(C)C ZINC000181713989 327743129 /nfs/dbraw/zinc/74/31/29/327743129.db2.gz VSPSWVPJDNEQOR-UHFFFAOYSA-N 1 2 352.416 2.234 20 5 FEBDLO Nc1c(C(=O)N2CCCN(c3cccc[nH+]3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000184235447 327857786 /nfs/dbraw/zinc/85/77/86/327857786.db2.gz AQSJVDALQHPUEE-UHFFFAOYSA-N 1 2 359.361 2.064 20 5 FEBDLO CN(C)c1[nH+]cccc1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188615255 328099146 /nfs/dbraw/zinc/09/91/46/328099146.db2.gz JQMRLQYCELSQJM-UHFFFAOYSA-N 1 2 371.397 2.029 20 5 FEBDLO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H](O)C(F)(F)F ZINC000189499563 328151856 /nfs/dbraw/zinc/15/18/56/328151856.db2.gz XKORVWSQOYIRDX-LLVKDONJSA-N 1 2 360.292 2.390 20 5 FEBDLO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H](O)C(F)(F)F ZINC000189499563 328151858 /nfs/dbraw/zinc/15/18/58/328151858.db2.gz XKORVWSQOYIRDX-LLVKDONJSA-N 1 2 360.292 2.390 20 5 FEBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189746811 328165647 /nfs/dbraw/zinc/16/56/47/328165647.db2.gz UDLPCVQMPWYUCN-ZDUSSCGKSA-N 1 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CN(Cc1ccccc1[N+](=O)[O-])c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000192275275 328310312 /nfs/dbraw/zinc/31/03/12/328310312.db2.gz BDYXNAAUFYFZRP-OAHLLOKOSA-N 1 2 357.414 2.372 20 5 FEBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000192562389 328325877 /nfs/dbraw/zinc/32/58/77/328325877.db2.gz OXPWKEPHMHLFRH-UHFFFAOYSA-N 1 2 359.430 2.450 20 5 FEBDLO C[C@@H](C(=O)N(C)C)[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000007356847 324355651 /nfs/dbraw/zinc/35/56/51/324355651.db2.gz RMDIKRPWADRJJR-NSHDSACASA-N 1 2 374.363 2.212 20 5 FEBDLO CN(CC(=O)NCCc1cn2ccccc2[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000079400281 325089058 /nfs/dbraw/zinc/08/90/58/325089058.db2.gz QEAMOXOBMDUYFK-UHFFFAOYSA-N 1 2 353.382 2.038 20 5 FEBDLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089900503 325341575 /nfs/dbraw/zinc/34/15/75/325341575.db2.gz HJHOFZNSGFGRPP-INIZCTEOSA-N 1 2 356.382 2.493 20 5 FEBDLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089900503 325341578 /nfs/dbraw/zinc/34/15/78/325341578.db2.gz HJHOFZNSGFGRPP-INIZCTEOSA-N 1 2 356.382 2.493 20 5 FEBDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116271551 326003026 /nfs/dbraw/zinc/00/30/26/326003026.db2.gz YWEGMNDOGDOFNE-LBPRGKRZSA-N 1 2 366.849 2.033 20 5 FEBDLO CC(=O)N(C)C1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000119829881 326202745 /nfs/dbraw/zinc/20/27/45/326202745.db2.gz VLQZKIACQKEBNP-UHFFFAOYSA-N 1 2 359.386 2.088 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)c1 ZINC000120325639 326250008 /nfs/dbraw/zinc/25/00/08/326250008.db2.gz UFTUWIADVULKJU-HNNXBMFYSA-N 1 2 353.386 2.414 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)c1 ZINC000120325639 326250010 /nfs/dbraw/zinc/25/00/10/326250010.db2.gz UFTUWIADVULKJU-HNNXBMFYSA-N 1 2 353.386 2.414 20 5 FEBDLO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121090887 326312746 /nfs/dbraw/zinc/31/27/46/326312746.db2.gz HLSUTVDCBHBCFV-CYBMUJFWSA-N 1 2 353.338 2.160 20 5 FEBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000121498038 326343489 /nfs/dbraw/zinc/34/34/89/326343489.db2.gz BJZGAXGIPJJFHS-OAHLLOKOSA-N 1 2 355.398 2.110 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000130924941 326565817 /nfs/dbraw/zinc/56/58/17/326565817.db2.gz IQXCSZOVWOCPTE-UHFFFAOYSA-N 1 2 371.393 2.267 20 5 FEBDLO CCCc1n[nH]c(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000131285604 326571893 /nfs/dbraw/zinc/57/18/93/326571893.db2.gz SIXCRQXXYNRHGW-LBPRGKRZSA-N 1 2 358.402 2.064 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000151130216 326675525 /nfs/dbraw/zinc/67/55/25/326675525.db2.gz PLRQNQIFPXAALX-AWEZNQCLSA-N 1 2 363.395 2.140 20 5 FEBDLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000155457269 326788565 /nfs/dbraw/zinc/78/85/65/326788565.db2.gz XMMPOUZOKVWQJW-CYBMUJFWSA-N 1 2 371.353 2.297 20 5 FEBDLO CC1CC[NH+](Cc2csc(NC(=O)c3n[nH]cc3[N+](=O)[O-])n2)CC1 ZINC000159496131 326933441 /nfs/dbraw/zinc/93/34/41/326933441.db2.gz RLSZKIONWJPNFK-UHFFFAOYSA-N 1 2 350.404 2.259 20 5 FEBDLO Cc1cc(C[C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[nH]n1 ZINC000161486910 327001050 /nfs/dbraw/zinc/00/10/50/327001050.db2.gz OBPZCKJDAAWSIA-LLVKDONJSA-N 1 2 354.370 2.173 20 5 FEBDLO C[C@H](c1cccnc1)N1C(=O)C[C@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000171755964 327159335 /nfs/dbraw/zinc/15/93/35/327159335.db2.gz AJZFIPHIHQRJLU-DYVFJYSZSA-N 1 2 368.393 2.310 20 5 FEBDLO C[C@H](c1cccnc1)N1C(=O)C[C@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000171755964 327159336 /nfs/dbraw/zinc/15/93/36/327159336.db2.gz AJZFIPHIHQRJLU-DYVFJYSZSA-N 1 2 368.393 2.310 20 5 FEBDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174867752 327356411 /nfs/dbraw/zinc/35/64/11/327356411.db2.gz FSLJEBGUTYQCKT-INIZCTEOSA-N 1 2 373.413 2.211 20 5 FEBDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174867752 327356412 /nfs/dbraw/zinc/35/64/12/327356412.db2.gz FSLJEBGUTYQCKT-INIZCTEOSA-N 1 2 373.413 2.211 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174883627 327357899 /nfs/dbraw/zinc/35/78/99/327357899.db2.gz KPZKFQSLRLCJPQ-GOSISDBHSA-N 1 2 362.474 2.205 20 5 FEBDLO C[C@@H](N1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000178734640 327603110 /nfs/dbraw/zinc/60/31/10/327603110.db2.gz XTJZVBTVLWKUDO-GFCCVEGCSA-N 1 2 374.363 2.492 20 5 FEBDLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000266931775 329274001 /nfs/dbraw/zinc/27/40/01/329274001.db2.gz SWQPRFTZBFERML-LLVKDONJSA-N 1 2 361.851 2.009 20 5 FEBDLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000266931775 329274003 /nfs/dbraw/zinc/27/40/03/329274003.db2.gz SWQPRFTZBFERML-LLVKDONJSA-N 1 2 361.851 2.009 20 5 FEBDLO COCC1(O)CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000270298659 329589159 /nfs/dbraw/zinc/58/91/59/329589159.db2.gz AENVRELNWTZCLB-LLVKDONJSA-N 1 2 371.821 2.049 20 5 FEBDLO C[C@]1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC000273363031 329858585 /nfs/dbraw/zinc/85/85/85/329858585.db2.gz SVXMINKUGKGHKE-AEFFLSMTSA-N 1 2 356.382 2.468 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000273777930 329890882 /nfs/dbraw/zinc/89/08/82/329890882.db2.gz WVBQRYUWBREGKX-UHFFFAOYSA-N 1 2 372.385 2.056 20 5 FEBDLO CCOCCOCC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000276297895 330138153 /nfs/dbraw/zinc/13/81/53/330138153.db2.gz VACLIQPUZUJABT-UHFFFAOYSA-N 1 2 350.375 2.130 20 5 FEBDLO CCOCCOCC[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000276297895 330138155 /nfs/dbraw/zinc/13/81/55/330138155.db2.gz VACLIQPUZUJABT-UHFFFAOYSA-N 1 2 350.375 2.130 20 5 FEBDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc([N+](=O)[O-])cc1Br ZINC000367046005 330211019 /nfs/dbraw/zinc/21/10/19/330211019.db2.gz RLPAADQTUYXLFJ-QMMMGPOBSA-N 1 2 365.187 2.368 20 5 FEBDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc([N+](=O)[O-])cc1Br ZINC000367046005 330211020 /nfs/dbraw/zinc/21/10/20/330211020.db2.gz RLPAADQTUYXLFJ-QMMMGPOBSA-N 1 2 365.187 2.368 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])cc1OC(F)F ZINC000804809077 674301632 /nfs/dbraw/zinc/30/16/32/674301632.db2.gz NLHOHWXGWLXNNA-AAEUAGOBSA-N 1 2 357.357 2.496 20 5 FEBDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000805825061 674355738 /nfs/dbraw/zinc/35/57/38/674355738.db2.gz IUINLLOIWGDITK-LBPRGKRZSA-N 1 2 355.366 2.453 20 5 FEBDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000805825061 674355739 /nfs/dbraw/zinc/35/57/39/674355739.db2.gz IUINLLOIWGDITK-LBPRGKRZSA-N 1 2 355.366 2.453 20 5 FEBDLO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCS(=O)(=O)C1 ZINC000157594572 545760368 /nfs/dbraw/zinc/76/03/68/545760368.db2.gz KKNYCRHPLQFLSZ-LBPRGKRZSA-N 1 2 350.396 2.474 20 5 FEBDLO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCS(=O)(=O)C1 ZINC000157594572 545760373 /nfs/dbraw/zinc/76/03/73/545760373.db2.gz KKNYCRHPLQFLSZ-LBPRGKRZSA-N 1 2 350.396 2.474 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[NH+]2CCN(Cc3ccc(F)cc3Cl)CC2)c1 ZINC000157667046 545769078 /nfs/dbraw/zinc/76/90/78/545769078.db2.gz RBGDUCVEZFKUTO-UHFFFAOYSA-N 1 2 367.812 2.402 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000157861680 545793091 /nfs/dbraw/zinc/79/30/91/545793091.db2.gz DNZWHTYKCWATDP-ZBFHGGJFSA-N 1 2 364.423 2.470 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000157861680 545793095 /nfs/dbraw/zinc/79/30/95/545793095.db2.gz DNZWHTYKCWATDP-ZBFHGGJFSA-N 1 2 364.423 2.470 20 5 FEBDLO NC(=O)c1ccc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c([N+](=O)[O-])c1 ZINC000158728139 545890111 /nfs/dbraw/zinc/89/01/11/545890111.db2.gz OCJWXGWKAATBBG-HXUWFJFHSA-N 1 2 367.405 2.368 20 5 FEBDLO NC(=O)c1ccc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c([N+](=O)[O-])c1 ZINC000158728139 545890114 /nfs/dbraw/zinc/89/01/14/545890114.db2.gz OCJWXGWKAATBBG-HXUWFJFHSA-N 1 2 367.405 2.368 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)SCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000159870174 545988115 /nfs/dbraw/zinc/98/81/15/545988115.db2.gz MEWZYFLHKUUQGM-CYBMUJFWSA-N 1 2 353.444 2.296 20 5 FEBDLO Nc1c(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000176033947 546393866 /nfs/dbraw/zinc/39/38/66/546393866.db2.gz VGXMBMBVPRIPIE-UHFFFAOYSA-N 1 2 355.398 2.492 20 5 FEBDLO O=c1ccc([N+](=O)[O-])cn1CCN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000481224234 561228300 /nfs/dbraw/zinc/22/83/00/561228300.db2.gz GRQADUBCKRAVAB-UHFFFAOYSA-N 1 2 365.393 2.001 20 5 FEBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000481224234 561228301 /nfs/dbraw/zinc/22/83/01/561228301.db2.gz GRQADUBCKRAVAB-UHFFFAOYSA-N 1 2 365.393 2.001 20 5 FEBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000481224234 561228302 /nfs/dbraw/zinc/22/83/02/561228302.db2.gz GRQADUBCKRAVAB-UHFFFAOYSA-N 1 2 365.393 2.001 20 5 FEBDLO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000179404840 546947304 /nfs/dbraw/zinc/94/73/04/546947304.db2.gz IDQVKFZBCKWBDZ-ZDUSSCGKSA-N 1 2 363.439 2.338 20 5 FEBDLO Cc1cccn2cc(CNS(=O)(=O)c3ccc([N+](=O)[O-])s3)[nH+]c12 ZINC000180248837 547073068 /nfs/dbraw/zinc/07/30/68/547073068.db2.gz SYMWLYZNWWUVEY-UHFFFAOYSA-N 1 2 352.397 2.091 20 5 FEBDLO NC(=O)c1ccc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000181555390 547333800 /nfs/dbraw/zinc/33/38/00/547333800.db2.gz JHQNWYLBDROCHF-KRWDZBQOSA-N 1 2 355.394 2.137 20 5 FEBDLO NC(=O)c1ccc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000181555390 547333801 /nfs/dbraw/zinc/33/38/01/547333801.db2.gz JHQNWYLBDROCHF-KRWDZBQOSA-N 1 2 355.394 2.137 20 5 FEBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000182314752 547472103 /nfs/dbraw/zinc/47/21/03/547472103.db2.gz RUJKDQYNFXPZEH-INIZCTEOSA-N 1 2 367.471 2.421 20 5 FEBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000182314752 547472111 /nfs/dbraw/zinc/47/21/11/547472111.db2.gz RUJKDQYNFXPZEH-INIZCTEOSA-N 1 2 367.471 2.421 20 5 FEBDLO CCN(CC)C(=O)CN1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182619782 547523336 /nfs/dbraw/zinc/52/33/36/547523336.db2.gz OFFFSLVWQIMVON-MRXNPFEDSA-N 1 2 362.474 2.450 20 5 FEBDLO CCN(CC)C(=O)C[NH+]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182619782 547523337 /nfs/dbraw/zinc/52/33/37/547523337.db2.gz OFFFSLVWQIMVON-MRXNPFEDSA-N 1 2 362.474 2.450 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000485420931 561318779 /nfs/dbraw/zinc/31/87/79/561318779.db2.gz NJIXKVTUMVGYQS-INIZCTEOSA-N 1 2 373.413 2.338 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000485420931 561318780 /nfs/dbraw/zinc/31/87/80/561318780.db2.gz NJIXKVTUMVGYQS-INIZCTEOSA-N 1 2 373.413 2.338 20 5 FEBDLO CN(C)c1ccc(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c[nH+]1 ZINC000485665307 561325207 /nfs/dbraw/zinc/32/52/07/561325207.db2.gz VIBRYAYIEUEXBD-UHFFFAOYSA-N 1 2 350.325 2.193 20 5 FEBDLO CC(C)(C)Oc1cc(N2CC[NH+](C(C)(C)C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000487095320 561363468 /nfs/dbraw/zinc/36/34/68/561363468.db2.gz SYXIEYKHHYOSNI-UHFFFAOYSA-N 1 2 364.446 2.158 20 5 FEBDLO Cn1cc[nH+]c1CN1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488060217 561382512 /nfs/dbraw/zinc/38/25/12/561382512.db2.gz VSGOCVLXTAOBOG-UHFFFAOYSA-N 1 2 352.398 2.199 20 5 FEBDLO Cc1c(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000245800452 548997199 /nfs/dbraw/zinc/99/71/99/548997199.db2.gz IYLVFWUWQSQZGV-HOTGVXAUSA-N 1 2 368.455 2.071 20 5 FEBDLO Cc1c(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000245800452 548997204 /nfs/dbraw/zinc/99/72/04/548997204.db2.gz IYLVFWUWQSQZGV-HOTGVXAUSA-N 1 2 368.455 2.071 20 5 FEBDLO COCCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000245810629 548997242 /nfs/dbraw/zinc/99/72/42/548997242.db2.gz CHUQYYOSDXLKJP-CZUORRHYSA-N 1 2 351.403 2.049 20 5 FEBDLO COCCO[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000245810629 548997248 /nfs/dbraw/zinc/99/72/48/548997248.db2.gz CHUQYYOSDXLKJP-CZUORRHYSA-N 1 2 351.403 2.049 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000488806059 561397367 /nfs/dbraw/zinc/39/73/67/561397367.db2.gz UGPXTXNAUBKRGF-UHFFFAOYSA-N 1 2 371.397 2.175 20 5 FEBDLO Cc1n[nH]c(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)c1[N+](=O)[O-] ZINC000492466363 561451498 /nfs/dbraw/zinc/45/14/98/561451498.db2.gz QGSZVKQXLAHIJM-GFCCVEGCSA-N 1 2 358.333 2.018 20 5 FEBDLO COc1cc(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492957696 561453695 /nfs/dbraw/zinc/45/36/95/561453695.db2.gz XAIFSGUXYHHRAX-OAHLLOKOSA-N 1 2 364.423 2.479 20 5 FEBDLO COc1ccc(OC)c2c1C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]2O ZINC000269656872 550214214 /nfs/dbraw/zinc/21/42/14/550214214.db2.gz OTMLPMNKQGSOGF-HOTGVXAUSA-N 1 2 374.393 2.195 20 5 FEBDLO COc1ccc(OC)c2c1C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]2O ZINC000269656872 550214215 /nfs/dbraw/zinc/21/42/15/550214215.db2.gz OTMLPMNKQGSOGF-HOTGVXAUSA-N 1 2 374.393 2.195 20 5 FEBDLO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000271160544 550346558 /nfs/dbraw/zinc/34/65/58/550346558.db2.gz RMRJJDPECIUEQG-IUODEOHRSA-N 1 2 365.340 2.080 20 5 FEBDLO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000271160544 550346561 /nfs/dbraw/zinc/34/65/61/550346561.db2.gz RMRJJDPECIUEQG-IUODEOHRSA-N 1 2 365.340 2.080 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCCCC3)C2)s1 ZINC000271279686 550360808 /nfs/dbraw/zinc/36/08/08/550360808.db2.gz NVRCJXHRNFNKLP-NSHDSACASA-N 1 2 359.473 2.124 20 5 FEBDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271394211 550371977 /nfs/dbraw/zinc/37/19/77/550371977.db2.gz LRVSWHQSERMMTP-CYBMUJFWSA-N 1 2 368.397 2.291 20 5 FEBDLO CCC(=O)N1CC[C@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272493793 550452886 /nfs/dbraw/zinc/45/28/86/550452886.db2.gz FKOIGKFSMVPMKJ-WMLDXEAASA-N 1 2 357.414 2.018 20 5 FEBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(COc3ccc([N+](=O)[O-])c(F)c3)n2)C1 ZINC000272669926 550464319 /nfs/dbraw/zinc/46/43/19/550464319.db2.gz QCXSWOLXHQHGMX-CQSZACIVSA-N 1 2 366.349 2.478 20 5 FEBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(COc3ccc([N+](=O)[O-])c(F)c3)n2)C1 ZINC000272669926 550464320 /nfs/dbraw/zinc/46/43/20/550464320.db2.gz QCXSWOLXHQHGMX-CQSZACIVSA-N 1 2 366.349 2.478 20 5 FEBDLO COC(C[N@H+](CCCO)Cc1cc([N+](=O)[O-])ccc1OC(C)C)OC ZINC000272731115 550467587 /nfs/dbraw/zinc/46/75/87/550467587.db2.gz CPFKXJIMJPDEOZ-UHFFFAOYSA-N 1 2 356.419 2.185 20 5 FEBDLO COC(C[N@@H+](CCCO)Cc1cc([N+](=O)[O-])ccc1OC(C)C)OC ZINC000272731115 550467588 /nfs/dbraw/zinc/46/75/88/550467588.db2.gz CPFKXJIMJPDEOZ-UHFFFAOYSA-N 1 2 356.419 2.185 20 5 FEBDLO CC(C)(CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000273976272 550517656 /nfs/dbraw/zinc/51/76/56/550517656.db2.gz YERIKPYLDPTKJT-UHFFFAOYSA-N 1 2 367.421 2.239 20 5 FEBDLO CCOc1cc(C[NH+]2CCN(c3nc(C)ns3)CC2)ccc1[N+](=O)[O-] ZINC000276929668 550612010 /nfs/dbraw/zinc/61/20/10/550612010.db2.gz QNOTWNIDTPOKSK-UHFFFAOYSA-N 1 2 363.443 2.476 20 5 FEBDLO C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000277732094 550707544 /nfs/dbraw/zinc/70/75/44/550707544.db2.gz TVUWMBOURULBLB-YMXBGEKHSA-N 1 2 362.455 2.338 20 5 FEBDLO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000277732094 550707546 /nfs/dbraw/zinc/70/75/46/550707546.db2.gz TVUWMBOURULBLB-YMXBGEKHSA-N 1 2 362.455 2.338 20 5 FEBDLO C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000277732096 550707592 /nfs/dbraw/zinc/70/75/92/550707592.db2.gz TVUWMBOURULBLB-SHZVTRLKSA-N 1 2 362.455 2.338 20 5 FEBDLO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000277732096 550707593 /nfs/dbraw/zinc/70/75/93/550707593.db2.gz TVUWMBOURULBLB-SHZVTRLKSA-N 1 2 362.455 2.338 20 5 FEBDLO CCOC1CC(CNc2ccc(F)cc2[N+](=O)[O-])([NH+]2CCOCC2)C1 ZINC000277984051 550735702 /nfs/dbraw/zinc/73/57/02/550735702.db2.gz MIFYTDTXOFMPIG-UHFFFAOYSA-N 1 2 353.394 2.416 20 5 FEBDLO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000278282638 550768468 /nfs/dbraw/zinc/76/84/68/550768468.db2.gz KFQNFASAWOKXRM-DOMZBBRYSA-N 1 2 358.822 2.094 20 5 FEBDLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000278282638 550768469 /nfs/dbraw/zinc/76/84/69/550768469.db2.gz KFQNFASAWOKXRM-DOMZBBRYSA-N 1 2 358.822 2.094 20 5 FEBDLO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279498532 550896694 /nfs/dbraw/zinc/89/66/94/550896694.db2.gz JLVMJBSEPQUNSF-UHFFFAOYSA-N 1 2 372.429 2.120 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@]2(CCOC2)O1 ZINC000280242371 550973910 /nfs/dbraw/zinc/97/39/10/550973910.db2.gz AZTPPVDQLCJBNK-SJKOYZFVSA-N 1 2 360.370 2.025 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@]2(CCOC2)O1 ZINC000280242371 550973911 /nfs/dbraw/zinc/97/39/11/550973911.db2.gz AZTPPVDQLCJBNK-SJKOYZFVSA-N 1 2 360.370 2.025 20 5 FEBDLO CCOc1cc(N2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000280332842 550981910 /nfs/dbraw/zinc/98/19/10/550981910.db2.gz ZYKMAHZAJWKDGA-CQSZACIVSA-N 1 2 363.336 2.039 20 5 FEBDLO O=C(c1csc([N+](=O)[O-])c1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280788280 551032538 /nfs/dbraw/zinc/03/25/38/551032538.db2.gz QOQDRPMOQIRNAT-CVEARBPZSA-N 1 2 373.434 2.382 20 5 FEBDLO O=C(c1csc([N+](=O)[O-])c1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280788280 551032539 /nfs/dbraw/zinc/03/25/39/551032539.db2.gz QOQDRPMOQIRNAT-CVEARBPZSA-N 1 2 373.434 2.382 20 5 FEBDLO C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])C1([NH+]2CCOCC2)CCCC1 ZINC000281044509 551057667 /nfs/dbraw/zinc/05/76/67/551057667.db2.gz WQXYFDDCWOULPA-CYBMUJFWSA-N 1 2 363.414 2.064 20 5 FEBDLO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000281053463 551058535 /nfs/dbraw/zinc/05/85/35/551058535.db2.gz XTOXVQKNQYKEJB-UHFFFAOYSA-N 1 2 356.382 2.090 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000281059578 551059305 /nfs/dbraw/zinc/05/93/05/551059305.db2.gz YOERVVSPZNAAJW-UHFFFAOYSA-N 1 2 360.370 2.433 20 5 FEBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000281345608 551087045 /nfs/dbraw/zinc/08/70/45/551087045.db2.gz VDJZGNXYPYKHCL-UHFFFAOYSA-N 1 2 371.397 2.054 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000497525798 561503188 /nfs/dbraw/zinc/50/31/88/561503188.db2.gz UZICZZHMBWNNDB-UONOGXRCSA-N 1 2 365.821 2.466 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000497525798 561503189 /nfs/dbraw/zinc/50/31/89/561503189.db2.gz UZICZZHMBWNNDB-UONOGXRCSA-N 1 2 365.821 2.466 20 5 FEBDLO CSc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000285592112 551779708 /nfs/dbraw/zinc/77/97/08/551779708.db2.gz BHINOFJHKNVHDN-JSGCOSHPSA-N 1 2 365.455 2.252 20 5 FEBDLO CN(C(=O)C[N@H+]1CC=C(c2ccnn2C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000285665591 551791815 /nfs/dbraw/zinc/79/18/15/551791815.db2.gz PYXBNGUCTUGMNP-UHFFFAOYSA-N 1 2 355.398 2.080 20 5 FEBDLO CN(C(=O)C[N@@H+]1CC=C(c2ccnn2C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000285665591 551791816 /nfs/dbraw/zinc/79/18/16/551791816.db2.gz PYXBNGUCTUGMNP-UHFFFAOYSA-N 1 2 355.398 2.080 20 5 FEBDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](C)C1 ZINC000285768782 551807960 /nfs/dbraw/zinc/80/79/60/551807960.db2.gz BGSAIBLEQKQGJQ-ZDUSSCGKSA-N 1 2 373.413 2.063 20 5 FEBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](C)C1 ZINC000285768782 551807962 /nfs/dbraw/zinc/80/79/62/551807962.db2.gz BGSAIBLEQKQGJQ-ZDUSSCGKSA-N 1 2 373.413 2.063 20 5 FEBDLO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000286277875 551868812 /nfs/dbraw/zinc/86/88/12/551868812.db2.gz DUTBRKTYURDPKU-WDEREUQCSA-N 1 2 359.473 2.123 20 5 FEBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000286878441 551935805 /nfs/dbraw/zinc/93/58/05/551935805.db2.gz ZZEMVTJRNLQZJP-MRXNPFEDSA-N 1 2 369.425 2.453 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000287520346 552014875 /nfs/dbraw/zinc/01/48/75/552014875.db2.gz VFLAULMALNRINR-GXTWGEPZSA-N 1 2 358.398 2.011 20 5 FEBDLO CCC[C@@]1(CO)CC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000288718685 552200121 /nfs/dbraw/zinc/20/01/21/552200121.db2.gz FTSKAFNNEDUOJB-QGZVFWFLSA-N 1 2 351.403 2.026 20 5 FEBDLO CCC[C@@]1(CO)CC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000288718685 552200122 /nfs/dbraw/zinc/20/01/22/552200122.db2.gz FTSKAFNNEDUOJB-QGZVFWFLSA-N 1 2 351.403 2.026 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000289707574 552365318 /nfs/dbraw/zinc/36/53/18/552365318.db2.gz HMRQXOGSSVGYKR-INIZCTEOSA-N 1 2 362.430 2.486 20 5 FEBDLO CC1(C)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1[C@H]1CCCO1 ZINC000289797986 552380152 /nfs/dbraw/zinc/38/01/52/552380152.db2.gz NNQDEOHMKRQXSL-SJLPKXTDSA-N 1 2 359.426 2.373 20 5 FEBDLO CC1(C)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1[C@H]1CCCO1 ZINC000289797986 552380156 /nfs/dbraw/zinc/38/01/56/552380156.db2.gz NNQDEOHMKRQXSL-SJLPKXTDSA-N 1 2 359.426 2.373 20 5 FEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(Cl)cc1 ZINC000500726150 561580334 /nfs/dbraw/zinc/58/03/34/561580334.db2.gz BRFYRZPJHGRYMJ-ZDUSSCGKSA-N 1 2 374.788 2.235 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000291664616 552648605 /nfs/dbraw/zinc/64/86/05/552648605.db2.gz FZINHOUHRZNXJS-CYBMUJFWSA-N 1 2 359.386 2.076 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000291664616 552648606 /nfs/dbraw/zinc/64/86/06/552648606.db2.gz FZINHOUHRZNXJS-CYBMUJFWSA-N 1 2 359.386 2.076 20 5 FEBDLO COC(=O)N1CCN(c2ccc(Nc3ccc([N+](=O)[O-])cn3)c[nH+]2)CC1 ZINC000292840211 552763793 /nfs/dbraw/zinc/76/37/93/552763793.db2.gz QKDBZILCWIKDPD-UHFFFAOYSA-N 1 2 358.358 2.017 20 5 FEBDLO CCn1cc[nH+]c1CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000295625164 553035385 /nfs/dbraw/zinc/03/53/85/553035385.db2.gz ZMJWPFRRAFJKIP-UHFFFAOYSA-N 1 2 358.807 2.252 20 5 FEBDLO COc1ccc(CNC(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)cc1[N+](=O)[O-] ZINC000502525538 561620396 /nfs/dbraw/zinc/62/03/96/561620396.db2.gz CFCGABOGFUSYJW-AWEZNQCLSA-N 1 2 373.413 2.485 20 5 FEBDLO Cc1cc(F)c(NC(=O)NCC2([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000296905877 553227680 /nfs/dbraw/zinc/22/76/80/553227680.db2.gz YEXJTXBAACYBNO-UHFFFAOYSA-N 1 2 352.366 2.029 20 5 FEBDLO CCOc1cc(N2CC[NH+](Cc3nccnc3OC)CC2)ccc1[N+](=O)[O-] ZINC000297039077 553245608 /nfs/dbraw/zinc/24/56/08/553245608.db2.gz XTWIZWVAJAFCMJ-UHFFFAOYSA-N 1 2 373.413 2.114 20 5 FEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000297555356 553308347 /nfs/dbraw/zinc/30/83/47/553308347.db2.gz APTLNRIKUMPHEQ-MRXNPFEDSA-N 1 2 364.352 2.124 20 5 FEBDLO CN(C)C(=O)c1cccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000298198687 553397353 /nfs/dbraw/zinc/39/73/53/553397353.db2.gz XSKJYBJLXFDHBQ-UHFFFAOYSA-N 1 2 369.425 2.014 20 5 FEBDLO O=C(C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)N(C1CC1)C1CCCC1 ZINC000298217954 553399079 /nfs/dbraw/zinc/39/90/79/553399079.db2.gz ZVWJECDMFSHKLJ-UHFFFAOYSA-N 1 2 373.457 2.045 20 5 FEBDLO O=C(COc1cccc([N+](=O)[O-])c1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000298350944 553415418 /nfs/dbraw/zinc/41/54/18/553415418.db2.gz PBLHCALZDPADSD-UHFFFAOYSA-N 1 2 356.382 2.285 20 5 FEBDLO CCC[C@@](C)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(=O)OC ZINC000299208184 553530967 /nfs/dbraw/zinc/53/09/67/553530967.db2.gz HDXCGMXIUOEYRS-QGZVFWFLSA-N 1 2 367.402 2.253 20 5 FEBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000299406271 553559262 /nfs/dbraw/zinc/55/92/62/553559262.db2.gz OSQLAXYYARKJEW-UHFFFAOYSA-N 1 2 355.398 2.492 20 5 FEBDLO O=[N+]([O-])c1ccccc1NCCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000301355729 553644922 /nfs/dbraw/zinc/64/49/22/553644922.db2.gz OJLAARQKMZULFI-UHFFFAOYSA-N 1 2 360.443 2.462 20 5 FEBDLO O=[N+]([O-])c1ccccc1NCCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000301355729 553644924 /nfs/dbraw/zinc/64/49/24/553644924.db2.gz OJLAARQKMZULFI-UHFFFAOYSA-N 1 2 360.443 2.462 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000301430211 553651158 /nfs/dbraw/zinc/65/11/58/553651158.db2.gz FZXJIQCXLHHYLW-OAHLLOKOSA-N 1 2 360.458 2.473 20 5 FEBDLO O=C1COc2cc([N+](=O)[O-])c(NCc3ccc(-n4cc[nH+]c4)nc3)cc2N1 ZINC000301639911 553667922 /nfs/dbraw/zinc/66/79/22/553667922.db2.gz YJRQKAWMNLNKHH-UHFFFAOYSA-N 1 2 366.337 2.119 20 5 FEBDLO Cc1cc(N[C@H](CO)c2cnn(C)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301833317 553683309 /nfs/dbraw/zinc/68/33/09/553683309.db2.gz RWYFAQWZYKWOJU-OAHLLOKOSA-N 1 2 354.370 2.239 20 5 FEBDLO O=[N+]([O-])c1cncc(Br)c1NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000301891228 553689175 /nfs/dbraw/zinc/68/91/75/553689175.db2.gz UQIFOSSKAGNFIG-JTQLQIEISA-N 1 2 357.208 2.027 20 5 FEBDLO O=[N+]([O-])c1cncc(Br)c1NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000301891228 553689176 /nfs/dbraw/zinc/68/91/76/553689176.db2.gz UQIFOSSKAGNFIG-JTQLQIEISA-N 1 2 357.208 2.027 20 5 FEBDLO CC(C)c1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc(N(C)C)[nH+]1 ZINC000301917741 553691984 /nfs/dbraw/zinc/69/19/84/553691984.db2.gz JOBMRSQTSVNCRY-UHFFFAOYSA-N 1 2 371.445 2.296 20 5 FEBDLO CC(C)c1nc(N(C)C)nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH+]1 ZINC000301917741 553691987 /nfs/dbraw/zinc/69/19/87/553691987.db2.gz JOBMRSQTSVNCRY-UHFFFAOYSA-N 1 2 371.445 2.296 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c1 ZINC000302757263 553731231 /nfs/dbraw/zinc/73/12/31/553731231.db2.gz IYLPSXXFPLVXLT-OAHLLOKOSA-N 1 2 360.370 2.055 20 5 FEBDLO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000505718146 561678404 /nfs/dbraw/zinc/67/84/04/561678404.db2.gz AZLZHBYYSNTLLM-OAHLLOKOSA-N 1 2 351.366 2.258 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000508072814 561750337 /nfs/dbraw/zinc/75/03/37/561750337.db2.gz HZULFOCKFAUJPR-UHFFFAOYSA-N 1 2 373.394 2.344 20 5 FEBDLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330808227 554174310 /nfs/dbraw/zinc/17/43/10/554174310.db2.gz MAPCGRVEFBPUMR-NSHDSACASA-N 1 2 361.851 2.009 20 5 FEBDLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330808227 554174311 /nfs/dbraw/zinc/17/43/11/554174311.db2.gz MAPCGRVEFBPUMR-NSHDSACASA-N 1 2 361.851 2.009 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000332144094 554389560 /nfs/dbraw/zinc/38/95/60/554389560.db2.gz MGXIZMBQZQRYJZ-TZMCWYRMSA-N 1 2 351.428 2.048 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000332144094 554389563 /nfs/dbraw/zinc/38/95/63/554389563.db2.gz MGXIZMBQZQRYJZ-TZMCWYRMSA-N 1 2 351.428 2.048 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000332450848 554448141 /nfs/dbraw/zinc/44/81/41/554448141.db2.gz FOWSYOAZMUXAQV-CQSZACIVSA-N 1 2 367.471 2.355 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNc1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)CCC2 ZINC000361185915 554908770 /nfs/dbraw/zinc/90/87/70/554908770.db2.gz BCBSWHCOAJQYKF-LLVKDONJSA-N 1 2 357.370 2.420 20 5 FEBDLO CCc1nc(C[NH+]2C[C@@H]3CN(c4ccc(F)cc4[N+](=O)[O-])C[C@H]3C2)no1 ZINC000361769044 554933875 /nfs/dbraw/zinc/93/38/75/554933875.db2.gz RKMPXXRBBGSTCM-VXGBXAGGSA-N 1 2 361.377 2.248 20 5 FEBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000362254635 554958191 /nfs/dbraw/zinc/95/81/91/554958191.db2.gz HRGHUMUKDLSOBF-AWEZNQCLSA-N 1 2 361.423 2.356 20 5 FEBDLO COC(=O)C1(O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000362651502 554978406 /nfs/dbraw/zinc/97/84/06/554978406.db2.gz PTRPQTPSWXVQMP-UHFFFAOYSA-N 1 2 362.304 2.114 20 5 FEBDLO Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)n1 ZINC000363952294 555220646 /nfs/dbraw/zinc/22/06/46/555220646.db2.gz ZZOQATJYOJWLLS-UHFFFAOYSA-N 1 2 358.402 2.034 20 5 FEBDLO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000364054580 555241703 /nfs/dbraw/zinc/24/17/03/555241703.db2.gz JEFFINPKXRSEPH-CQDKDKBSSA-N 1 2 371.397 2.263 20 5 FEBDLO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000364054580 555241706 /nfs/dbraw/zinc/24/17/06/555241706.db2.gz JEFFINPKXRSEPH-CQDKDKBSSA-N 1 2 371.397 2.263 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000365086778 555482101 /nfs/dbraw/zinc/48/21/01/555482101.db2.gz ODJWZIMWRIHYAK-ZDUSSCGKSA-N 1 2 364.427 2.123 20 5 FEBDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1c(F)cncc1F ZINC000513266404 561931690 /nfs/dbraw/zinc/93/16/90/561931690.db2.gz JRRVEDGLDPSOGJ-JTQLQIEISA-N 1 2 371.365 2.393 20 5 FEBDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000513712972 561947497 /nfs/dbraw/zinc/94/74/97/561947497.db2.gz IIIAXESMGQHTPL-KRWDZBQOSA-N 1 2 365.393 2.306 20 5 FEBDLO CCN1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000366251476 555793433 /nfs/dbraw/zinc/79/34/33/555793433.db2.gz OYZGSXPCXHDWPR-OAHLLOKOSA-N 1 2 360.374 2.105 20 5 FEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCc3c(nnn3-c3ccccc3)C2)c1 ZINC000366606584 555888993 /nfs/dbraw/zinc/88/89/93/555888993.db2.gz CNCSXORYOLNOQT-LJQANCHMSA-N 1 2 365.393 2.267 20 5 FEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCc3c(nnn3-c3ccccc3)C2)c1 ZINC000366606584 555888994 /nfs/dbraw/zinc/88/89/94/555888994.db2.gz CNCSXORYOLNOQT-LJQANCHMSA-N 1 2 365.393 2.267 20 5 FEBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000514770315 561978728 /nfs/dbraw/zinc/97/87/28/561978728.db2.gz IJSRZOHSRIMJCO-UHFFFAOYSA-N 1 2 358.354 2.129 20 5 FEBDLO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000367612715 556097265 /nfs/dbraw/zinc/09/72/65/556097265.db2.gz QMMCPNPGLRUNCF-OAHLLOKOSA-N 1 2 352.354 2.481 20 5 FEBDLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000367975942 556186170 /nfs/dbraw/zinc/18/61/70/556186170.db2.gz FXTYGZRNWVNMMI-UHFFFAOYSA-N 1 2 355.358 2.308 20 5 FEBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000368530863 556337075 /nfs/dbraw/zinc/33/70/75/556337075.db2.gz QMMHJPJWDIJQHE-QKCSRTOESA-N 1 2 373.369 2.136 20 5 FEBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000368530863 556337076 /nfs/dbraw/zinc/33/70/76/556337076.db2.gz QMMHJPJWDIJQHE-QKCSRTOESA-N 1 2 373.369 2.136 20 5 FEBDLO COC(=O)c1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1C ZINC000515556146 562015113 /nfs/dbraw/zinc/01/51/13/562015113.db2.gz FFUHOBFVXCCQPU-UHFFFAOYSA-N 1 2 358.398 2.042 20 5 FEBDLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000369010666 556475478 /nfs/dbraw/zinc/47/54/78/556475478.db2.gz QYHIEYQFSFBHCG-GDBMZVCRSA-N 1 2 357.414 2.306 20 5 FEBDLO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000369010666 556475483 /nfs/dbraw/zinc/47/54/83/556475483.db2.gz QYHIEYQFSFBHCG-GDBMZVCRSA-N 1 2 357.414 2.306 20 5 FEBDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000369597368 556642959 /nfs/dbraw/zinc/64/29/59/556642959.db2.gz ZGWODQXHJXXQPQ-KXPUMZMLSA-N 1 2 367.409 2.131 20 5 FEBDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000369597368 556642962 /nfs/dbraw/zinc/64/29/62/556642962.db2.gz ZGWODQXHJXXQPQ-KXPUMZMLSA-N 1 2 367.409 2.131 20 5 FEBDLO O=C(CC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000370073031 556773056 /nfs/dbraw/zinc/77/30/56/556773056.db2.gz NLKWSZIKBBJQRH-QGZVFWFLSA-N 1 2 366.381 2.421 20 5 FEBDLO Cc1cc(N2CCC(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)nc[nH+]1 ZINC000370268576 556825666 /nfs/dbraw/zinc/82/56/66/556825666.db2.gz KVKYWTRMEZFYEF-UHFFFAOYSA-N 1 2 355.398 2.400 20 5 FEBDLO 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ZINC000374243299 557849788 /nfs/dbraw/zinc/84/97/88/557849788.db2.gz JHVIJHGZPVNWPJ-UHFFFAOYSA-N 1 2 351.403 2.433 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CCCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000374243299 557849791 /nfs/dbraw/zinc/84/97/91/557849791.db2.gz JHVIJHGZPVNWPJ-UHFFFAOYSA-N 1 2 351.403 2.433 20 5 FEBDLO CCc1ccc([C@@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC[NH2+]2)cc1 ZINC000374320043 557865079 /nfs/dbraw/zinc/86/50/79/557865079.db2.gz FBTYKMYSQQGWGY-HNNXBMFYSA-N 1 2 356.382 2.045 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000375326549 558009809 /nfs/dbraw/zinc/00/98/09/558009809.db2.gz DYYSWDDJQDCSMY-CMPLNLGQSA-N 1 2 364.793 2.114 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000375326549 558009811 /nfs/dbraw/zinc/00/98/11/558009811.db2.gz DYYSWDDJQDCSMY-CMPLNLGQSA-N 1 2 364.793 2.114 20 5 FEBDLO CN(C(=O)C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000375436855 558026928 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Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000408338927 558668370 /nfs/dbraw/zinc/66/83/70/558668370.db2.gz NBAPQFHDWXHOIG-LSDHHAIUSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000408338927 558668372 /nfs/dbraw/zinc/66/83/72/558668372.db2.gz NBAPQFHDWXHOIG-LSDHHAIUSA-N 1 2 367.471 2.459 20 5 FEBDLO O=c1[nH]c(CC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)nc2ccccc21 ZINC000411482151 558902380 /nfs/dbraw/zinc/90/23/80/558902380.db2.gz RZSLIDYDKYYHAS-UHFFFAOYSA-N 1 2 351.366 2.239 20 5 FEBDLO O=c1[nH]c(CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)nc2ccccc21 ZINC000411482151 558902382 /nfs/dbraw/zinc/90/23/82/558902382.db2.gz RZSLIDYDKYYHAS-UHFFFAOYSA-N 1 2 351.366 2.239 20 5 FEBDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000525608057 562250780 /nfs/dbraw/zinc/25/07/80/562250780.db2.gz FRWQTRKSSNMDCJ-UHFFFAOYSA-N 1 2 360.370 2.149 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411960423 558995770 /nfs/dbraw/zinc/99/57/70/558995770.db2.gz YSOGNIYNKANTEH-NVXWUHKLSA-N 1 2 371.393 2.350 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411960423 558995772 /nfs/dbraw/zinc/99/57/72/558995772.db2.gz YSOGNIYNKANTEH-NVXWUHKLSA-N 1 2 371.393 2.350 20 5 FEBDLO Cc1[nH+]c2cc(CNC(=O)c3cc([N+](=O)[O-])nn3C)ccc2n1C1CC1 ZINC000412329767 559028289 /nfs/dbraw/zinc/02/82/89/559028289.db2.gz KGGWHANWZSXMTD-UHFFFAOYSA-N 1 2 354.370 2.251 20 5 FEBDLO C[C@@H](O)[C@H]1CCN(c2cc(NCCc3ccccc3[N+](=O)[O-])[nH+]cn2)C1 ZINC000413168377 559084874 /nfs/dbraw/zinc/08/48/74/559084874.db2.gz KOPVFZRZKDWBKL-HIFRSBDPSA-N 1 2 357.414 2.247 20 5 FEBDLO C[C@@H](O)[C@H]1CCN(c2cc(NCCc3ccccc3[N+](=O)[O-])nc[nH+]2)C1 ZINC000413168377 559084876 /nfs/dbraw/zinc/08/48/76/559084876.db2.gz KOPVFZRZKDWBKL-HIFRSBDPSA-N 1 2 357.414 2.247 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1C ZINC000414468148 559166687 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352.398 2.363 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430329302 559817921 /nfs/dbraw/zinc/81/79/21/559817921.db2.gz GUGSHMYYZOWKJT-UHFFFAOYSA-N 1 2 352.398 2.363 20 5 FEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431763108 559845513 /nfs/dbraw/zinc/84/55/13/559845513.db2.gz VCUIIJQQLDXSCM-VIFPVBQESA-N 1 2 353.176 2.372 20 5 FEBDLO CCOC(=O)c1cc(N2CC[NH+](Cc3cc(C)no3)CC2)ccc1[N+](=O)[O-] ZINC000433725776 559886880 /nfs/dbraw/zinc/88/68/80/559886880.db2.gz BABPVSNYHMVZSQ-UHFFFAOYSA-N 1 2 374.397 2.390 20 5 FEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000434751189 559908475 /nfs/dbraw/zinc/90/84/75/559908475.db2.gz CHFOMRXKKFBZMS-LBPRGKRZSA-N 1 2 373.862 2.248 20 5 FEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000434751189 559908476 /nfs/dbraw/zinc/90/84/76/559908476.db2.gz CHFOMRXKKFBZMS-LBPRGKRZSA-N 1 2 373.862 2.248 20 5 FEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000436109441 559935351 /nfs/dbraw/zinc/93/53/51/559935351.db2.gz AHSWSCNAVDILBH-UHFFFAOYSA-N 1 2 373.457 2.433 20 5 FEBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000440647448 560015370 /nfs/dbraw/zinc/01/53/70/560015370.db2.gz BCFJOWRKFRIXRD-KRWDZBQOSA-N 1 2 350.419 2.198 20 5 FEBDLO CCOC1CC(CNc2nc(C)cc(C)c2[N+](=O)[O-])([NH+]2CCOCC2)C1 ZINC000443969557 560097839 /nfs/dbraw/zinc/09/78/39/560097839.db2.gz YQGRMVUBEYXZPJ-UHFFFAOYSA-N 1 2 364.446 2.288 20 5 FEBDLO C[C@@H]([NH2+]Cc1nnnn1CCOCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000447309524 560159941 /nfs/dbraw/zinc/15/99/41/560159941.db2.gz OMBRVXBNHIHCIL-SNVBAGLBSA-N 1 2 374.323 2.011 20 5 FEBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448916726 560206556 /nfs/dbraw/zinc/20/65/56/560206556.db2.gz YEUPROQYDSBJBO-JTQLQIEISA-N 1 2 361.320 2.064 20 5 FEBDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448916726 560206558 /nfs/dbraw/zinc/20/65/58/560206558.db2.gz YEUPROQYDSBJBO-JTQLQIEISA-N 1 2 361.320 2.064 20 5 FEBDLO COc1cc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])cc1F ZINC000450111990 560250939 /nfs/dbraw/zinc/25/09/39/560250939.db2.gz IXIUNZNKMARXQF-LBPRGKRZSA-N 1 2 361.329 2.431 20 5 FEBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H](O)C(F)(F)F ZINC000450315453 560258281 /nfs/dbraw/zinc/25/82/81/560258281.db2.gz DKVWPBIJSJJHHT-ZWNOBZJWSA-N 1 2 372.303 2.212 20 5 FEBDLO COc1cc(-c2noc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)n2)ncn1 ZINC000450678083 560269849 /nfs/dbraw/zinc/26/98/49/560269849.db2.gz SIJFRUIYFKKIEH-SNVBAGLBSA-N 1 2 356.342 2.294 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H]([C@H](O)C(F)(F)F)C3)n2)c1 ZINC000451904735 560336055 /nfs/dbraw/zinc/33/60/55/560336055.db2.gz KHPRUROOIKTLLO-GWCFXTLKSA-N 1 2 372.303 2.390 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H]([C@H](O)C(F)(F)F)C3)n2)c1 ZINC000451904735 560336056 /nfs/dbraw/zinc/33/60/56/560336056.db2.gz KHPRUROOIKTLLO-GWCFXTLKSA-N 1 2 372.303 2.390 20 5 FEBDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC1 ZINC000451974371 560341575 /nfs/dbraw/zinc/34/15/75/560341575.db2.gz SIWBVCJMWBDUJP-CYBMUJFWSA-N 1 2 355.460 2.316 20 5 FEBDLO Cc1cc(C)c(CNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c[nH+]1 ZINC000456841150 560534249 /nfs/dbraw/zinc/53/42/49/560534249.db2.gz OHMOSOKQMVQTQJ-UHFFFAOYSA-N 1 2 370.409 2.373 20 5 FEBDLO CC[C@H]1C[N@H+](CCNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000458891182 560654296 /nfs/dbraw/zinc/65/42/96/560654296.db2.gz QRIWZBNPBZEYGV-BBRMVZONSA-N 1 2 350.419 2.066 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000458891182 560654297 /nfs/dbraw/zinc/65/42/97/560654297.db2.gz QRIWZBNPBZEYGV-BBRMVZONSA-N 1 2 350.419 2.066 20 5 FEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000459054438 560664375 /nfs/dbraw/zinc/66/43/75/560664375.db2.gz IGNIYLYWBUFYTF-LBPRGKRZSA-N 1 2 359.386 2.345 20 5 FEBDLO COc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000470134390 560975025 /nfs/dbraw/zinc/97/50/25/560975025.db2.gz PYRYEIKEGISNNK-IUODEOHRSA-N 1 2 362.382 2.445 20 5 FEBDLO COc1ccc(-c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000470134390 560975026 /nfs/dbraw/zinc/97/50/26/560975026.db2.gz PYRYEIKEGISNNK-IUODEOHRSA-N 1 2 362.382 2.445 20 5 FEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000470173618 560976090 /nfs/dbraw/zinc/97/60/90/560976090.db2.gz DPTXIEZZEGYNBL-WTQUMQLASA-N 1 2 359.426 2.321 20 5 FEBDLO CCN1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000471060669 560997320 /nfs/dbraw/zinc/99/73/20/560997320.db2.gz BVPXLYRYCNGCFP-CZUORRHYSA-N 1 2 372.429 2.024 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000474262066 561069683 /nfs/dbraw/zinc/06/96/83/561069683.db2.gz AIENOKKPFYRIOJ-SFHVURJKSA-N 1 2 355.394 2.433 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000474262066 561069684 /nfs/dbraw/zinc/06/96/84/561069684.db2.gz AIENOKKPFYRIOJ-SFHVURJKSA-N 1 2 355.394 2.433 20 5 FEBDLO COC(=O)COc1ccc(C[N@@H+]2CCOCC23CCCC3)cc1[N+](=O)[O-] ZINC000475700824 561102651 /nfs/dbraw/zinc/10/26/51/561102651.db2.gz WUADOPZSMZULSB-UHFFFAOYSA-N 1 2 364.398 2.292 20 5 FEBDLO COC(=O)COc1ccc(C[N@H+]2CCOCC23CCCC3)cc1[N+](=O)[O-] ZINC000475700824 561102652 /nfs/dbraw/zinc/10/26/52/561102652.db2.gz WUADOPZSMZULSB-UHFFFAOYSA-N 1 2 364.398 2.292 20 5 FEBDLO CCc1cc(NCCc2cnccn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000530481518 562413005 /nfs/dbraw/zinc/41/30/05/562413005.db2.gz XEURSVKGZDSXFU-UHFFFAOYSA-N 1 2 350.382 2.481 20 5 FEBDLO Cc1ccc([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)nn2)cc1[N+](=O)[O-] ZINC000530748968 562422696 /nfs/dbraw/zinc/42/26/96/562422696.db2.gz GDRQNBWSTGLYRB-GFCCVEGCSA-N 1 2 352.354 2.370 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(OCCO)CC1 ZINC000535247939 562554058 /nfs/dbraw/zinc/55/40/58/562554058.db2.gz PBJZIEORDBGYDK-NSHDSACASA-N 1 2 371.821 2.049 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000541113046 562603432 /nfs/dbraw/zinc/60/34/32/562603432.db2.gz NAHZCUPDWSGOMQ-UHFFFAOYSA-N 1 2 372.381 2.225 20 5 FEBDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000542000350 562625386 /nfs/dbraw/zinc/62/53/86/562625386.db2.gz QIWCNHXWFBAZGW-ZDUSSCGKSA-N 1 2 361.851 2.152 20 5 FEBDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000542000350 562625387 /nfs/dbraw/zinc/62/53/87/562625387.db2.gz QIWCNHXWFBAZGW-ZDUSSCGKSA-N 1 2 361.851 2.152 20 5 FEBDLO C[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000820728058 607047668 /nfs/dbraw/zinc/04/76/68/607047668.db2.gz RVNYJGDZVMNKPY-XHDPSFHLSA-N 1 2 354.374 2.059 20 5 FEBDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000122459085 671967033 /nfs/dbraw/zinc/96/70/33/671967033.db2.gz JTTCQAVPCBCHPX-OLZOCXBDSA-N 1 2 353.423 2.374 20 5 FEBDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000122459085 671967035 /nfs/dbraw/zinc/96/70/35/671967035.db2.gz JTTCQAVPCBCHPX-OLZOCXBDSA-N 1 2 353.423 2.374 20 5 FEBDLO C[C@H](CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[S@](C)=O ZINC000582980435 672051776 /nfs/dbraw/zinc/05/17/76/672051776.db2.gz HBGMOUBPDGURKK-VQGQKXPLSA-N 1 2 350.444 2.164 20 5 FEBDLO CCC[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000170904310 672327059 /nfs/dbraw/zinc/32/70/59/672327059.db2.gz XLVNNHPBUDVESB-CYBMUJFWSA-N 1 2 353.423 2.470 20 5 FEBDLO CCC[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000170904310 672327061 /nfs/dbraw/zinc/32/70/61/672327061.db2.gz XLVNNHPBUDVESB-CYBMUJFWSA-N 1 2 353.423 2.470 20 5 FEBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587062720 672440422 /nfs/dbraw/zinc/44/04/22/672440422.db2.gz XXVHSWRBNXHHSD-GFCCVEGCSA-N 1 2 364.789 2.345 20 5 FEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611083947 676015985 /nfs/dbraw/zinc/01/59/85/676015985.db2.gz SWBGSNBAZNZRTA-SNVBAGLBSA-N 1 2 361.851 2.271 20 5 FEBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611083947 676015987 /nfs/dbraw/zinc/01/59/87/676015987.db2.gz SWBGSNBAZNZRTA-SNVBAGLBSA-N 1 2 361.851 2.271 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(C)cc1[N+](=O)[O-] ZINC000591324586 672670048 /nfs/dbraw/zinc/67/00/48/672670048.db2.gz PXEXNLNTIJVRBY-AWEZNQCLSA-N 1 2 364.427 2.434 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000592059329 672744777 /nfs/dbraw/zinc/74/47/77/672744777.db2.gz HRSJRMYBUSTTHI-CYBMUJFWSA-N 1 2 353.444 2.231 20 5 FEBDLO COc1cccc([N+](=O)[O-])c1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000594549097 673096971 /nfs/dbraw/zinc/09/69/71/673096971.db2.gz WEPCANJBEFNZCD-INIZCTEOSA-N 1 2 353.444 2.223 20 5 FEBDLO O=C1CC[C@H]2C[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595728207 673286275 /nfs/dbraw/zinc/28/62/75/673286275.db2.gz LRVHMZRNOYBPCV-GXFFZTMASA-N 1 2 368.231 2.458 20 5 FEBDLO O=C1CC[C@H]2C[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595728207 673286277 /nfs/dbraw/zinc/28/62/77/673286277.db2.gz LRVHMZRNOYBPCV-GXFFZTMASA-N 1 2 368.231 2.458 20 5 FEBDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000595915104 673338845 /nfs/dbraw/zinc/33/88/45/673338845.db2.gz IPCUJIZISJDVNW-XHBSWPGZSA-N 1 2 360.357 2.079 20 5 FEBDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000595915104 673338847 /nfs/dbraw/zinc/33/88/47/673338847.db2.gz IPCUJIZISJDVNW-XHBSWPGZSA-N 1 2 360.357 2.079 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000539381946 673487127 /nfs/dbraw/zinc/48/71/27/673487127.db2.gz FHQOXRMMHQIZCM-UHFFFAOYSA-N 1 2 358.807 2.203 20 5 FEBDLO C[N@H+](CCO)Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)ccc1Cl ZINC000597609667 673492563 /nfs/dbraw/zinc/49/25/63/673492563.db2.gz JJQGQOUJSMLVIE-UHFFFAOYSA-N 1 2 352.778 2.253 20 5 FEBDLO C[N@@H+](CCO)Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)ccc1Cl ZINC000597609667 673492566 /nfs/dbraw/zinc/49/25/66/673492566.db2.gz JJQGQOUJSMLVIE-UHFFFAOYSA-N 1 2 352.778 2.253 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000598000497 673529057 /nfs/dbraw/zinc/52/90/57/673529057.db2.gz VGVWYCHUHMOMBU-NWDGAFQWSA-N 1 2 353.444 2.156 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000598000497 673529060 /nfs/dbraw/zinc/52/90/60/673529060.db2.gz VGVWYCHUHMOMBU-NWDGAFQWSA-N 1 2 353.444 2.156 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCCCn2cc[nH+]c2)cc1C ZINC000540473842 673541557 /nfs/dbraw/zinc/54/15/57/673541557.db2.gz VKTSGMDVVGYPIW-UHFFFAOYSA-N 1 2 352.416 2.167 20 5 FEBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000598946288 673624316 /nfs/dbraw/zinc/62/43/16/673624316.db2.gz FVNFXAAAVXXMJC-LLVKDONJSA-N 1 2 365.187 2.299 20 5 FEBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000741146218 673672505 /nfs/dbraw/zinc/67/25/05/673672505.db2.gz DSAPFJNZOCPWIS-CYBMUJFWSA-N 1 2 355.778 2.214 20 5 FEBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000741146218 673672506 /nfs/dbraw/zinc/67/25/06/673672506.db2.gz DSAPFJNZOCPWIS-CYBMUJFWSA-N 1 2 355.778 2.214 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000599674516 673705098 /nfs/dbraw/zinc/70/50/98/673705098.db2.gz ALLJCPAQTOHYOH-CHWSQXEVSA-N 1 2 351.403 2.025 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](CO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000599674516 673705101 /nfs/dbraw/zinc/70/51/01/673705101.db2.gz ALLJCPAQTOHYOH-CHWSQXEVSA-N 1 2 351.403 2.025 20 5 FEBDLO COc1ccc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000742239933 673715659 /nfs/dbraw/zinc/71/56/59/673715659.db2.gz ZFVQORWLMQLIFI-UHFFFAOYSA-N 1 2 357.357 2.405 20 5 FEBDLO COc1ccc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000742239933 673715662 /nfs/dbraw/zinc/71/56/62/673715662.db2.gz ZFVQORWLMQLIFI-UHFFFAOYSA-N 1 2 357.357 2.405 20 5 FEBDLO CN(C)c1nccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000544609746 673720809 /nfs/dbraw/zinc/72/08/09/673720809.db2.gz VTHHIROMUOSUNI-UHFFFAOYSA-N 1 2 353.329 2.342 20 5 FEBDLO O=C(CCC(=O)N1CC[NH+](CCCF)CC1)c1cccc([N+](=O)[O-])c1 ZINC000600075195 673738876 /nfs/dbraw/zinc/73/88/76/673738876.db2.gz AMEPUHUDAJCFES-UHFFFAOYSA-N 1 2 351.378 2.062 20 5 FEBDLO CN1C[C@@H]([N@H+](C)Cc2cc(Br)c([N+](=O)[O-])s2)CCC1=O ZINC000602714882 673910379 /nfs/dbraw/zinc/91/03/79/673910379.db2.gz JXAGZXHXUSSJKM-QMMMGPOBSA-N 1 2 362.249 2.471 20 5 FEBDLO CN1C[C@@H]([N@@H+](C)Cc2cc(Br)c([N+](=O)[O-])s2)CCC1=O ZINC000602714882 673910382 /nfs/dbraw/zinc/91/03/82/673910382.db2.gz JXAGZXHXUSSJKM-QMMMGPOBSA-N 1 2 362.249 2.471 20 5 FEBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000548417063 673956781 /nfs/dbraw/zinc/95/67/81/673956781.db2.gz OKFICZFYOBXRJT-CQSZACIVSA-N 1 2 352.366 2.062 20 5 FEBDLO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000825936328 675675207 /nfs/dbraw/zinc/67/52/07/675675207.db2.gz ZQUMHPBNFNREQJ-UHFFFAOYSA-N 1 2 363.761 2.100 20 5 FEBDLO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1)c1ccc([N+](=O)[O-])cc1 ZINC000830160550 677028211 /nfs/dbraw/zinc/02/82/11/677028211.db2.gz DEPYMKBENSJPIX-NSHDSACASA-N 1 2 353.400 2.289 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)c1 ZINC000839621971 680767413 /nfs/dbraw/zinc/76/74/13/680767413.db2.gz LHGGUKHJJZJXGD-UHFFFAOYSA-N 1 2 373.862 2.248 20 5 FEBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000840143596 680801899 /nfs/dbraw/zinc/80/18/99/680801899.db2.gz KALMSRBCMTUBQO-QGZVFWFLSA-N 1 2 361.423 2.367 20 5 FEBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000840143596 680801901 /nfs/dbraw/zinc/80/19/01/680801901.db2.gz KALMSRBCMTUBQO-QGZVFWFLSA-N 1 2 361.423 2.367 20 5 FEBDLO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CC=C(Cl)Cl)C2 ZINC000982278432 680274520 /nfs/dbraw/zinc/27/45/20/680274520.db2.gz CNNIDXLLKUJPLI-FKGLVLAHSA-N 1 2 362.257 2.141 20 5 FEBDLO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](CC=C(Cl)Cl)C2 ZINC000982278432 680274523 /nfs/dbraw/zinc/27/45/23/680274523.db2.gz CNNIDXLLKUJPLI-FKGLVLAHSA-N 1 2 362.257 2.141 20 5 FEBDLO CC1(C)C[N@H+](CCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000756950575 680507023 /nfs/dbraw/zinc/50/70/23/680507023.db2.gz HEVAETAPYHCSJG-UHFFFAOYSA-N 1 2 370.837 2.158 20 5 FEBDLO CC1(C)C[N@@H+](CCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000756950575 680507024 /nfs/dbraw/zinc/50/70/24/680507024.db2.gz HEVAETAPYHCSJG-UHFFFAOYSA-N 1 2 370.837 2.158 20 5 FEBDLO O=C(NC1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002783461 680508037 /nfs/dbraw/zinc/50/80/37/680508037.db2.gz SRKQYLYTJXGVHD-IUODEOHRSA-N 1 2 355.797 2.225 20 5 FEBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000843810732 681019681 /nfs/dbraw/zinc/01/96/81/681019681.db2.gz MYLXLVQMESSPRB-UHFFFAOYSA-N 1 2 353.394 2.225 20 5 FEBDLO C[S@@](=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000771146795 681043997 /nfs/dbraw/zinc/04/39/97/681043997.db2.gz NKGIOHUSZOZGGO-XMMPIXPASA-N 1 2 365.377 2.114 20 5 FEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C[C@H]1C ZINC000771785715 681069849 /nfs/dbraw/zinc/06/98/49/681069849.db2.gz TZSQDJOCPZTKLI-VXGBXAGGSA-N 1 2 359.423 2.146 20 5 FEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C[C@H]1C ZINC000771785715 681069851 /nfs/dbraw/zinc/06/98/51/681069851.db2.gz TZSQDJOCPZTKLI-VXGBXAGGSA-N 1 2 359.423 2.146 20 5 FEBDLO C[C@H](CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847182171 681341269 /nfs/dbraw/zinc/34/12/69/681341269.db2.gz NUVBPBWENLUSGD-MXWKQRLJSA-N 1 2 357.357 2.101 20 5 FEBDLO C[C@H](CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847182171 681341272 /nfs/dbraw/zinc/34/12/72/681341272.db2.gz NUVBPBWENLUSGD-MXWKQRLJSA-N 1 2 357.357 2.101 20 5 FEBDLO C[C@H](CNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000848581137 681582197 /nfs/dbraw/zinc/58/21/97/681582197.db2.gz JQUNKPWVWNMQDC-LLVKDONJSA-N 1 2 354.313 2.215 20 5 FEBDLO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000935409433 681745337 /nfs/dbraw/zinc/74/53/37/681745337.db2.gz DRSFBJMHQVQROH-GFCCVEGCSA-N 1 2 363.443 2.067 20 5 FEBDLO CN(C1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1)S(C)(=O)=O ZINC000783548332 682152706 /nfs/dbraw/zinc/15/27/06/682152706.db2.gz GGFAXIGYMFWBSG-UHFFFAOYSA-N 1 2 361.851 2.104 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000786779052 682404543 /nfs/dbraw/zinc/40/45/43/682404543.db2.gz BOOKNQWLPFGSKN-CQSZACIVSA-N 1 2 353.444 2.063 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000786779050 682404598 /nfs/dbraw/zinc/40/45/98/682404598.db2.gz BOOKNQWLPFGSKN-AWEZNQCLSA-N 1 2 353.444 2.063 20 5 FEBDLO O=[N+]([O-])c1cn(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)nc1-c1ccccn1 ZINC000853503997 682424501 /nfs/dbraw/zinc/42/45/01/682424501.db2.gz XGAOJCWYOWEOTK-ZFWWWQNUSA-N 1 2 361.427 2.017 20 5 FEBDLO O=[N+]([O-])c1cn(C[N@H+]2CCS[C@H]3COCC[C@@H]32)nc1-c1ccccn1 ZINC000853503997 682424505 /nfs/dbraw/zinc/42/45/05/682424505.db2.gz XGAOJCWYOWEOTK-ZFWWWQNUSA-N 1 2 361.427 2.017 20 5 FEBDLO Cc1cc(Cl)c(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000854725928 682586226 /nfs/dbraw/zinc/58/62/26/682586226.db2.gz CMHCPRNJZFNQRX-ZDUSSCGKSA-N 1 2 367.833 2.493 20 5 FEBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1C[NH+](C)C ZINC000795617580 683073761 /nfs/dbraw/zinc/07/37/61/683073761.db2.gz YIWMPFKNVAELDX-UHFFFAOYSA-N 1 2 365.411 2.466 20 5 FEBDLO CO[C@@]1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCSC1 ZINC000928500968 683464083 /nfs/dbraw/zinc/46/40/83/683464083.db2.gz SCRFSPSAIARQLE-MRXNPFEDSA-N 1 2 362.411 2.032 20 5 FEBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000928635119 683479032 /nfs/dbraw/zinc/47/90/32/683479032.db2.gz IWDGAXJICNZCLJ-CQSZACIVSA-N 1 2 369.849 2.408 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000931057746 683825219 /nfs/dbraw/zinc/82/52/19/683825219.db2.gz QMDXRFPWZLFBAN-CQSZACIVSA-N 1 2 350.419 2.396 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000931846361 684355737 /nfs/dbraw/zinc/35/57/37/684355737.db2.gz VZELLLJTDWDRQB-UHFFFAOYSA-N 1 2 353.444 2.157 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000931846361 684355744 /nfs/dbraw/zinc/35/57/44/684355744.db2.gz VZELLLJTDWDRQB-UHFFFAOYSA-N 1 2 353.444 2.157 20 5 FEBDLO C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872046971 684916949 /nfs/dbraw/zinc/91/69/49/684916949.db2.gz AJHLUVMGYDXTMC-SMDDNHRTSA-N 1 2 351.378 2.164 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC(CNC(=O)C(F)(F)F)C1 ZINC000877776873 686455028 /nfs/dbraw/zinc/45/50/28/686455028.db2.gz FCBFVKVQYKBCGK-UHFFFAOYSA-N 1 2 361.320 2.104 20 5 FEBDLO CO[C@@H]1C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@](C)(CO)C1 ZINC000879261148 686782513 /nfs/dbraw/zinc/78/25/13/686782513.db2.gz FYKYSBDWCKJHQZ-SMDDNHRTSA-N 1 2 359.220 2.329 20 5 FEBDLO CO[C@@H]1C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@](C)(CO)C1 ZINC000879261148 686782516 /nfs/dbraw/zinc/78/25/16/686782516.db2.gz FYKYSBDWCKJHQZ-SMDDNHRTSA-N 1 2 359.220 2.329 20 5 FEBDLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000898498339 690195214 /nfs/dbraw/zinc/19/52/14/690195214.db2.gz IRWWBEDIEHTJRH-JTQLQIEISA-N 1 2 361.320 2.360 20 5 FEBDLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000898498339 690195217 /nfs/dbraw/zinc/19/52/17/690195217.db2.gz IRWWBEDIEHTJRH-JTQLQIEISA-N 1 2 361.320 2.360 20 5 FEBDLO Cn1ccnc1C(=O)c1ccc(NCc2ccc(N)[nH+]c2)c([N+](=O)[O-])c1 ZINC000477835307 889941241 /nfs/dbraw/zinc/94/12/41/889941241.db2.gz QJUSBNBWNODNID-UHFFFAOYSA-N 1 2 352.354 2.149 20 5 FEBDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000015572918 539620562 /nfs/dbraw/zinc/62/05/62/539620562.db2.gz FZSUZKRLGVUVAF-CALCHBBNSA-N 1 2 374.485 2.217 20 5 FEBDLO C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000015572918 539620566 /nfs/dbraw/zinc/62/05/66/539620566.db2.gz FZSUZKRLGVUVAF-CALCHBBNSA-N 1 2 374.485 2.217 20 5 FEBDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000016259425 539628897 /nfs/dbraw/zinc/62/88/97/539628897.db2.gz RPZSIHXNHHKGLX-GOSISDBHSA-N 1 2 355.394 2.226 20 5 FEBDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000016259425 539628898 /nfs/dbraw/zinc/62/88/98/539628898.db2.gz RPZSIHXNHHKGLX-GOSISDBHSA-N 1 2 355.394 2.226 20 5 FEBDLO C[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc([N+](=O)[O-])c1 ZINC000026737286 539791778 /nfs/dbraw/zinc/79/17/78/539791778.db2.gz SIBJVTCQWXHVGS-UHFFFAOYSA-N 1 2 357.366 2.437 20 5 FEBDLO C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc([N+](=O)[O-])c1 ZINC000026737286 539791780 /nfs/dbraw/zinc/79/17/80/539791780.db2.gz SIBJVTCQWXHVGS-UHFFFAOYSA-N 1 2 357.366 2.437 20 5 FEBDLO O=C(NCC[NH+]1CCOCC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000027773107 539817465 /nfs/dbraw/zinc/81/74/65/539817465.db2.gz HKOMWFZIPCYTPB-UHFFFAOYSA-N 1 2 370.409 2.400 20 5 FEBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000030296685 539878386 /nfs/dbraw/zinc/87/83/86/539878386.db2.gz LUXVMAWVDJJTTC-UHFFFAOYSA-N 1 2 370.365 2.249 20 5 FEBDLO O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000030698963 539890252 /nfs/dbraw/zinc/89/02/52/539890252.db2.gz SXDCWEZRPWGDCE-GOSISDBHSA-N 1 2 355.394 2.398 20 5 FEBDLO Cc1cc(C)c(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000032049052 539927248 /nfs/dbraw/zinc/92/72/48/539927248.db2.gz FUVJIXKRVRPHGZ-UHFFFAOYSA-N 1 2 367.365 2.016 20 5 FEBDLO O=C(NCc1cn2ccccc2n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033227171 539971697 /nfs/dbraw/zinc/97/16/97/539971697.db2.gz SOBIYDZTYJVDIL-UHFFFAOYSA-N 1 2 362.349 2.358 20 5 FEBDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000044448667 540127493 /nfs/dbraw/zinc/12/74/93/540127493.db2.gz GTUHSNLZLYZOTD-UHFFFAOYSA-N 1 2 358.398 2.466 20 5 FEBDLO C[N@@H+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000045411225 540212024 /nfs/dbraw/zinc/21/20/24/540212024.db2.gz CGKPOCRPDOMSPG-INIZCTEOSA-N 1 2 361.423 2.272 20 5 FEBDLO C[N@H+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000045411225 540212025 /nfs/dbraw/zinc/21/20/25/540212025.db2.gz CGKPOCRPDOMSPG-INIZCTEOSA-N 1 2 361.423 2.272 20 5 FEBDLO Cc1ccccc1CNC(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743315 540327210 /nfs/dbraw/zinc/32/72/10/540327210.db2.gz GKQYVQKLLSGYMJ-UHFFFAOYSA-N 1 2 368.437 2.342 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052929458 540500599 /nfs/dbraw/zinc/50/05/99/540500599.db2.gz ZJPYVJLFEXJXOC-HNNXBMFYSA-N 1 2 374.441 2.080 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052929458 540500603 /nfs/dbraw/zinc/50/06/03/540500603.db2.gz ZJPYVJLFEXJXOC-HNNXBMFYSA-N 1 2 374.441 2.080 20 5 FEBDLO CC(C)CC[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000053098612 540511342 /nfs/dbraw/zinc/51/13/42/540511342.db2.gz IKDAFWQIORUNNT-UHFFFAOYSA-N 1 2 355.460 2.166 20 5 FEBDLO Cc1noc(C2CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)n1 ZINC000053641465 540547164 /nfs/dbraw/zinc/54/71/64/540547164.db2.gz YHSLYPWPDIEFFV-UHFFFAOYSA-N 1 2 359.386 2.413 20 5 FEBDLO CCOc1ccc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000054485900 540592611 /nfs/dbraw/zinc/59/26/11/540592611.db2.gz VAZHEFHSOZMTOF-UHFFFAOYSA-N 1 2 370.409 2.347 20 5 FEBDLO Cc1noc(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000054679226 540603602 /nfs/dbraw/zinc/60/36/02/540603602.db2.gz GTKRMTOYSUTFTE-NSHDSACASA-N 1 2 359.386 2.493 20 5 FEBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccsc1 ZINC000066327635 541302222 /nfs/dbraw/zinc/30/22/22/541302222.db2.gz BKFRUAHYHZYFFX-SNVBAGLBSA-N 1 2 361.470 2.299 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC(n2cc[nH+]c2)CC1 ZINC000066644007 541353707 /nfs/dbraw/zinc/35/37/07/541353707.db2.gz IEBFHSWKSRJFMY-UHFFFAOYSA-N 1 2 358.354 2.040 20 5 FEBDLO O=C(CNc1ccccc1[N+](=O)[O-])NCc1ccc(N2CCCC2)[nH+]c1 ZINC000067290271 541441637 /nfs/dbraw/zinc/44/16/37/541441637.db2.gz URPURKQBUOLVLT-UHFFFAOYSA-N 1 2 355.398 2.318 20 5 FEBDLO COc1ccc(CC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000067797843 541514834 /nfs/dbraw/zinc/51/48/34/541514834.db2.gz ZYLNCPKQKDFSDA-UHFFFAOYSA-N 1 2 370.409 2.458 20 5 FEBDLO O=C(NCCCCNc1cccc[nH+]1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000068422640 541590123 /nfs/dbraw/zinc/59/01/23/541590123.db2.gz IAZHICGYALWQGK-UHFFFAOYSA-N 1 2 372.381 2.383 20 5 FEBDLO O=C(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccc(F)cc1 ZINC000072665294 541847423 /nfs/dbraw/zinc/84/74/23/541847423.db2.gz RZXPKMSNPLUAKA-AWEZNQCLSA-N 1 2 359.361 2.254 20 5 FEBDLO O=C(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccc(F)cc1 ZINC000072665294 541847426 /nfs/dbraw/zinc/84/74/26/541847426.db2.gz RZXPKMSNPLUAKA-AWEZNQCLSA-N 1 2 359.361 2.254 20 5 FEBDLO CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000072723706 541859136 /nfs/dbraw/zinc/85/91/36/541859136.db2.gz LPUXYCSPMLAJGK-LBPRGKRZSA-N 1 2 351.403 2.167 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000076968611 542336622 /nfs/dbraw/zinc/33/66/22/542336622.db2.gz IAJMZTMARARHCQ-UHFFFAOYSA-N 1 2 362.430 2.078 20 5 FEBDLO O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000089461902 542764217 /nfs/dbraw/zinc/76/42/17/542764217.db2.gz CEJOIDKLXDHUEB-UHFFFAOYSA-N 1 2 359.386 2.235 20 5 FEBDLO CC[N@H+](CCS(C)(=O)=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000093815979 542941072 /nfs/dbraw/zinc/94/10/72/542941072.db2.gz JVLARRJQBKGEDF-UHFFFAOYSA-N 1 2 365.249 2.224 20 5 FEBDLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000093815979 542941075 /nfs/dbraw/zinc/94/10/75/542941075.db2.gz JVLARRJQBKGEDF-UHFFFAOYSA-N 1 2 365.249 2.224 20 5 FEBDLO Cc1ccc(CN2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000093843306 542943005 /nfs/dbraw/zinc/94/30/05/542943005.db2.gz XVRLSAVBMPMAOL-MRXNPFEDSA-N 1 2 360.458 2.032 20 5 FEBDLO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111352847 543398436 /nfs/dbraw/zinc/39/84/36/543398436.db2.gz NZFIXRRNRULJHI-LLVKDONJSA-N 1 2 361.851 2.401 20 5 FEBDLO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111352847 543398438 /nfs/dbraw/zinc/39/84/38/543398438.db2.gz NZFIXRRNRULJHI-LLVKDONJSA-N 1 2 361.851 2.401 20 5 FEBDLO O=C(NCCCNc1cccc[nH+]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000115160323 543553256 /nfs/dbraw/zinc/55/32/56/543553256.db2.gz AKGJISIXSQDVTA-UHFFFAOYSA-N 1 2 366.381 2.408 20 5 FEBDLO Cn1nc2c(c1NC(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)CCC2 ZINC000116059123 543597136 /nfs/dbraw/zinc/59/71/36/543597136.db2.gz VGNFVQCHSRNPIY-UHFFFAOYSA-N 1 2 352.354 2.255 20 5 FEBDLO Cc1n[nH]c(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000116204294 543604672 /nfs/dbraw/zinc/60/46/72/543604672.db2.gz PHBQREQENSLZHG-GFCCVEGCSA-N 1 2 358.333 2.018 20 5 FEBDLO Cc1sc(S(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000123041584 543738897 /nfs/dbraw/zinc/73/88/97/543738897.db2.gz UYEZFBNSDOUCTC-UHFFFAOYSA-N 1 2 370.456 2.019 20 5 FEBDLO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000124714056 543838673 /nfs/dbraw/zinc/83/86/73/543838673.db2.gz SZKVZPGQYXCLFA-UHFFFAOYSA-N 1 2 373.331 2.456 20 5 FEBDLO C[C@@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1n1cc[nH+]c1 ZINC000124934856 543851769 /nfs/dbraw/zinc/85/17/69/543851769.db2.gz YEVFPEKCILKMNC-IAQYHMDHSA-N 1 2 354.370 2.391 20 5 FEBDLO C[C@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1n1cc[nH+]c1 ZINC000124934597 543852004 /nfs/dbraw/zinc/85/20/04/543852004.db2.gz YEVFPEKCILKMNC-NHYWBVRUSA-N 1 2 354.370 2.391 20 5 FEBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)n1 ZINC000127927418 544022116 /nfs/dbraw/zinc/02/21/16/544022116.db2.gz BQICYWYCCYPEAM-CQSZACIVSA-N 1 2 368.340 2.466 20 5 FEBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)n1 ZINC000127927418 544022120 /nfs/dbraw/zinc/02/21/20/544022120.db2.gz BQICYWYCCYPEAM-CQSZACIVSA-N 1 2 368.340 2.466 20 5 FEBDLO CCNC(=O)CN1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000129171737 544094962 /nfs/dbraw/zinc/09/49/62/544094962.db2.gz VMYMCXXWPRBAQZ-UHFFFAOYSA-N 1 2 372.425 2.109 20 5 FEBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000131393342 544188787 /nfs/dbraw/zinc/18/87/87/544188787.db2.gz NCYVWIMTFKIBBP-ZWKOTPCHSA-N 1 2 359.426 2.123 20 5 FEBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000131393342 544188788 /nfs/dbraw/zinc/18/87/88/544188788.db2.gz NCYVWIMTFKIBBP-ZWKOTPCHSA-N 1 2 359.426 2.123 20 5 FEBDLO CC(C)(CNC(=O)CSCc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000131122751 544177946 /nfs/dbraw/zinc/17/79/46/544177946.db2.gz NLMVLFIMTWQQHA-UHFFFAOYSA-N 1 2 367.471 2.055 20 5 FEBDLO CN(C(=O)C[N@H+](C)[C@H]1CCCc2c1cnn2C)c1ccc([N+](=O)[O-])cc1 ZINC000135596753 544355603 /nfs/dbraw/zinc/35/56/03/544355603.db2.gz KBXLPWPFBMONFX-INIZCTEOSA-N 1 2 357.414 2.301 20 5 FEBDLO CN(C(=O)C[N@@H+](C)[C@H]1CCCc2c1cnn2C)c1ccc([N+](=O)[O-])cc1 ZINC000135596753 544355605 /nfs/dbraw/zinc/35/56/05/544355605.db2.gz KBXLPWPFBMONFX-INIZCTEOSA-N 1 2 357.414 2.301 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000151131629 544508802 /nfs/dbraw/zinc/50/88/02/544508802.db2.gz VDPIXNZCZQLJJU-HNNXBMFYSA-N 1 2 363.395 2.140 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000151242643 544520021 /nfs/dbraw/zinc/52/00/21/544520021.db2.gz DBFOJGQLCMZMMJ-IUODEOHRSA-N 1 2 364.427 2.372 20 5 FEBDLO COC(=O)[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)(C)C ZINC000152540774 544666130 /nfs/dbraw/zinc/66/61/30/544666130.db2.gz WOTAJQDHDFPVJS-HNNXBMFYSA-N 1 2 351.403 2.409 20 5 FEBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CC[C@H](O)C1 ZINC000152304238 544637060 /nfs/dbraw/zinc/63/70/60/544637060.db2.gz RLDVVGJIPDUVQK-GWCFXTLKSA-N 1 2 362.411 2.112 20 5 FEBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CC[C@H](O)C1 ZINC000152304238 544637064 /nfs/dbraw/zinc/63/70/64/544637064.db2.gz RLDVVGJIPDUVQK-GWCFXTLKSA-N 1 2 362.411 2.112 20 5 FEBDLO COCc1ccc(CNC(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153323893 544761749 /nfs/dbraw/zinc/76/17/49/544761749.db2.gz UKAROMPKNUHZSE-UHFFFAOYSA-N 1 2 369.421 2.416 20 5 FEBDLO COCc1ccc(CNC(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153323893 544761754 /nfs/dbraw/zinc/76/17/54/544761754.db2.gz UKAROMPKNUHZSE-UHFFFAOYSA-N 1 2 369.421 2.416 20 5 FEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000154458462 544909448 /nfs/dbraw/zinc/90/94/48/544909448.db2.gz ASIJRCPPNFJSGA-AABGKKOBSA-N 1 2 372.421 2.453 20 5 FEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000154458462 544909451 /nfs/dbraw/zinc/90/94/51/544909451.db2.gz ASIJRCPPNFJSGA-AABGKKOBSA-N 1 2 372.421 2.453 20 5 FEBDLO Cn1c2ccccc2[nH+]c1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000179300186 327635613 /nfs/dbraw/zinc/63/56/13/327635613.db2.gz KCCXWJRKVIEACC-UHFFFAOYSA-N 1 2 365.393 2.444 20 5 FEBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000184410575 327866389 /nfs/dbraw/zinc/86/63/89/327866389.db2.gz PNROIOCKAYXLPL-ZDUSSCGKSA-N 1 2 355.398 2.091 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H]2C[NH+]2CCCC2)s1 ZINC000189081546 328127406 /nfs/dbraw/zinc/12/74/06/328127406.db2.gz IGOGVPKIURGPPG-LLVKDONJSA-N 1 2 359.473 2.124 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000189344868 328142075 /nfs/dbraw/zinc/14/20/75/328142075.db2.gz SMEVAYHWYIDDQM-WQGACYEGSA-N 1 2 351.403 2.287 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000189344868 328142076 /nfs/dbraw/zinc/14/20/76/328142076.db2.gz SMEVAYHWYIDDQM-WQGACYEGSA-N 1 2 351.403 2.287 20 5 FEBDLO COc1cc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc([N+](=O)[O-])c1C ZINC000189733112 328165320 /nfs/dbraw/zinc/16/53/20/328165320.db2.gz UAXPPVZEVUZCKD-AWEZNQCLSA-N 1 2 356.382 2.316 20 5 FEBDLO O=[N+]([O-])c1ccc2c(c1NCc1cc[nH+]c(N3CCOCC3)c1)CCN2 ZINC000195179500 328460128 /nfs/dbraw/zinc/46/01/28/328460128.db2.gz GUYZKTCQQZWPPK-UHFFFAOYSA-N 1 2 355.398 2.407 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605268 325298703 /nfs/dbraw/zinc/29/87/03/325298703.db2.gz WYYZUBVUBVLJFH-LBPRGKRZSA-N 1 2 368.393 2.079 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605268 325298704 /nfs/dbraw/zinc/29/87/04/325298704.db2.gz WYYZUBVUBVLJFH-LBPRGKRZSA-N 1 2 368.393 2.079 20 5 FEBDLO Cc1ccc([C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCO2)c(C)c1 ZINC000090550791 325362765 /nfs/dbraw/zinc/36/27/65/325362765.db2.gz YMCCPMPVYKTRDF-SFHVURJKSA-N 1 2 357.410 2.447 20 5 FEBDLO Cc1ccc([C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCO2)c(C)c1 ZINC000090550791 325362768 /nfs/dbraw/zinc/36/27/68/325362768.db2.gz YMCCPMPVYKTRDF-SFHVURJKSA-N 1 2 357.410 2.447 20 5 FEBDLO COC(=O)c1cc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc([N+](=O)[O-])c1 ZINC000116583759 326025904 /nfs/dbraw/zinc/02/59/04/326025904.db2.gz SRWLLNNIQOKADZ-CQSZACIVSA-N 1 2 358.354 2.472 20 5 FEBDLO Cc1c(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000121034438 326307927 /nfs/dbraw/zinc/30/79/27/326307927.db2.gz DUFSQPACCMACSV-CQSZACIVSA-N 1 2 372.337 2.500 20 5 FEBDLO CS(=O)(=O)c1cccc(NCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000121909861 326375284 /nfs/dbraw/zinc/37/52/84/326375284.db2.gz UQHZOHNWDFQOFU-UHFFFAOYSA-N 1 2 350.400 2.307 20 5 FEBDLO COCCCOC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000122613251 326403233 /nfs/dbraw/zinc/40/32/33/326403233.db2.gz LJPCRCPEKUIAIN-UHFFFAOYSA-N 1 2 365.430 2.359 20 5 FEBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000124309214 326451369 /nfs/dbraw/zinc/45/13/69/326451369.db2.gz JRPDZAJBZOGFQU-UHFFFAOYSA-N 1 2 355.358 2.014 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000127786223 326512597 /nfs/dbraw/zinc/51/25/97/326512597.db2.gz NRIJFQXFMVAPED-UHFFFAOYSA-N 1 2 372.429 2.295 20 5 FEBDLO Cc1cc(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)c(N)c([N+](=O)[O-])c1 ZINC000131219647 326570306 /nfs/dbraw/zinc/57/03/06/326570306.db2.gz ULVOPRNCKDOATJ-ZDUSSCGKSA-N 1 2 355.398 2.279 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(CSCC[NH+]3CCOCC3)n2)c1 ZINC000160060044 326951955 /nfs/dbraw/zinc/95/19/55/326951955.db2.gz HOMFVJDCCRRCBF-UHFFFAOYSA-N 1 2 350.400 2.210 20 5 FEBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000163861410 327060271 /nfs/dbraw/zinc/06/02/71/327060271.db2.gz UKIDWJUSDWUMSC-UHFFFAOYSA-N 1 2 368.390 2.265 20 5 FEBDLO CC(C)NC(=O)c1ccc(NCC[N@@H+]2CCOCC2(C)C)c([N+](=O)[O-])c1 ZINC000170869489 327104269 /nfs/dbraw/zinc/10/42/69/327104269.db2.gz AXQNTHXKNYNJCA-UHFFFAOYSA-N 1 2 364.446 2.256 20 5 FEBDLO CC(C)NC(=O)c1ccc(NCC[N@H+]2CCOCC2(C)C)c([N+](=O)[O-])c1 ZINC000170869489 327104270 /nfs/dbraw/zinc/10/42/70/327104270.db2.gz AXQNTHXKNYNJCA-UHFFFAOYSA-N 1 2 364.446 2.256 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H](C2OCCO2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000171378133 327135517 /nfs/dbraw/zinc/13/55/17/327135517.db2.gz QRMBTKFFWKYDJH-LLVKDONJSA-N 1 2 369.805 2.272 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H](C2OCCO2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000171378133 327135519 /nfs/dbraw/zinc/13/55/19/327135519.db2.gz QRMBTKFFWKYDJH-LLVKDONJSA-N 1 2 369.805 2.272 20 5 FEBDLO O=C(CCC1CCCCC1)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174830864 327353998 /nfs/dbraw/zinc/35/39/98/327353998.db2.gz OOVIAEMHECVCBF-UHFFFAOYSA-N 1 2 363.462 2.296 20 5 FEBDLO Cc1[nH]nc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000264261990 329005626 /nfs/dbraw/zinc/00/56/26/329005626.db2.gz PUCFAYAQISOGHF-VXGBXAGGSA-N 1 2 373.413 2.488 20 5 FEBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000265335460 329116024 /nfs/dbraw/zinc/11/60/24/329116024.db2.gz UNYGPUSEABPQSR-OAHLLOKOSA-N 1 2 354.410 2.438 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000268055843 329381033 /nfs/dbraw/zinc/38/10/33/329381033.db2.gz NOHWLEKSAUESKG-SNVBAGLBSA-N 1 2 354.363 2.025 20 5 FEBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCC(CO)CC1 ZINC000268443731 329420450 /nfs/dbraw/zinc/42/04/50/329420450.db2.gz USWFTEMSWPAKJG-UHFFFAOYSA-N 1 2 358.398 2.404 20 5 FEBDLO COc1cc(C[NH2+][C@H](C)c2nncn2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000275146867 330015461 /nfs/dbraw/zinc/01/54/61/330015461.db2.gz FTRKTEJKLULKQF-SECBINFHSA-N 1 2 371.344 2.227 20 5 FEBDLO C[C@@H]([NH2+][C@H](C)c1nncn1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000275238377 330025109 /nfs/dbraw/zinc/02/51/09/330025109.db2.gz WSRQFEOJHSLZGO-RKDXNWHRSA-N 1 2 352.782 2.055 20 5 FEBDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000276332727 330141920 /nfs/dbraw/zinc/14/19/20/330141920.db2.gz GWETWKIGFHYHRY-KBOKABMXSA-N 1 2 359.426 2.177 20 5 FEBDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000276332727 330141922 /nfs/dbraw/zinc/14/19/22/330141922.db2.gz GWETWKIGFHYHRY-KBOKABMXSA-N 1 2 359.426 2.177 20 5 FEBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000377929934 330252406 /nfs/dbraw/zinc/25/24/06/330252406.db2.gz BAOIVENTCKKOHI-MRXNPFEDSA-N 1 2 356.361 2.442 20 5 FEBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000377929934 330252407 /nfs/dbraw/zinc/25/24/07/330252407.db2.gz BAOIVENTCKKOHI-MRXNPFEDSA-N 1 2 356.361 2.442 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+](C)CCc2nccs2)c([N+](=O)[O-])c1 ZINC000157914717 545799436 /nfs/dbraw/zinc/79/94/36/545799436.db2.gz FBEMYIPJELOESR-UHFFFAOYSA-N 1 2 350.400 2.173 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+](C)CCc2nccs2)c([N+](=O)[O-])c1 ZINC000157914717 545799441 /nfs/dbraw/zinc/79/94/41/545799441.db2.gz FBEMYIPJELOESR-UHFFFAOYSA-N 1 2 350.400 2.173 20 5 FEBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)[C@@H]2C1 ZINC000158155247 545829527 /nfs/dbraw/zinc/82/95/27/545829527.db2.gz INBJSDZENFNCEA-OAGGEKHMSA-N 1 2 374.397 2.413 20 5 FEBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)[C@@H]2C1 ZINC000158155247 545829533 /nfs/dbraw/zinc/82/95/33/545829533.db2.gz INBJSDZENFNCEA-OAGGEKHMSA-N 1 2 374.397 2.413 20 5 FEBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCn1cc[nH+]c1 ZINC000161359028 546123022 /nfs/dbraw/zinc/12/30/22/546123022.db2.gz MLUOESQRATZZDC-UHFFFAOYSA-N 1 2 364.427 2.350 20 5 FEBDLO COc1ccc(OCC[NH+]2CCN(c3nccs3)CC2)c([N+](=O)[O-])c1 ZINC000173487650 546282083 /nfs/dbraw/zinc/28/20/83/546282083.db2.gz HJAPYWIXTGABAG-UHFFFAOYSA-N 1 2 364.427 2.261 20 5 FEBDLO C[N@H+](CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)Cc1ccc(F)cc1 ZINC000177046532 546530457 /nfs/dbraw/zinc/53/04/57/546530457.db2.gz JBRPSTAQSQGTDS-UHFFFAOYSA-N 1 2 371.372 2.472 20 5 FEBDLO C[N@@H+](CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)Cc1ccc(F)cc1 ZINC000177046532 546530460 /nfs/dbraw/zinc/53/04/60/546530460.db2.gz JBRPSTAQSQGTDS-UHFFFAOYSA-N 1 2 371.372 2.472 20 5 FEBDLO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177761499 546682559 /nfs/dbraw/zinc/68/25/59/546682559.db2.gz YHZQNFYHWGERPK-MRXNPFEDSA-N 1 2 366.381 2.282 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000179343170 546935266 /nfs/dbraw/zinc/93/52/66/546935266.db2.gz VUCSWFFLEXBRQP-CQSZACIVSA-N 1 2 367.369 2.266 20 5 FEBDLO CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000179712363 547002760 /nfs/dbraw/zinc/00/27/60/547002760.db2.gz GWLQGGZQTLUXMI-OAHLLOKOSA-N 1 2 359.382 2.192 20 5 FEBDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000179712363 547002763 /nfs/dbraw/zinc/00/27/63/547002763.db2.gz GWLQGGZQTLUXMI-OAHLLOKOSA-N 1 2 359.382 2.192 20 5 FEBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000180512105 547121627 /nfs/dbraw/zinc/12/16/27/547121627.db2.gz MPEABHXSDSGHKR-UHFFFAOYSA-N 1 2 362.415 2.267 20 5 FEBDLO CC[C@H](C)[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)OC ZINC000183687064 547701801 /nfs/dbraw/zinc/70/18/01/547701801.db2.gz OWMJSDDUOPQSJV-ZBEGNZNMSA-N 1 2 351.403 2.409 20 5 FEBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185135073 547939161 /nfs/dbraw/zinc/93/91/61/547939161.db2.gz VMTCXBWAQAEPFF-SJKOYZFVSA-N 1 2 360.370 2.197 20 5 FEBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185135073 547939165 /nfs/dbraw/zinc/93/91/65/547939165.db2.gz VMTCXBWAQAEPFF-SJKOYZFVSA-N 1 2 360.370 2.197 20 5 FEBDLO C[NH+]1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3OC(F)F)CC2)CC1 ZINC000217657274 548682461 /nfs/dbraw/zinc/68/24/61/548682461.db2.gz BQHHICMXGIFDMS-UHFFFAOYSA-N 1 2 370.400 2.412 20 5 FEBDLO CN(Cc1ccccc1[N+](=O)[O-])c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000246332342 549107580 /nfs/dbraw/zinc/10/75/80/549107580.db2.gz KACDGKIPYVYEEX-CQSZACIVSA-N 1 2 357.414 2.230 20 5 FEBDLO CN(Cc1ccccc1[N+](=O)[O-])c1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000246332342 549107583 /nfs/dbraw/zinc/10/75/83/549107583.db2.gz KACDGKIPYVYEEX-CQSZACIVSA-N 1 2 357.414 2.230 20 5 FEBDLO CC1(C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H]2CCO[C@H]21 ZINC000246998879 549261590 /nfs/dbraw/zinc/26/15/90/549261590.db2.gz ICCYJNRTMNVZIB-DAXOMENPSA-N 1 2 356.382 2.324 20 5 FEBDLO C[N@@H+]1CC[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000247816512 549384044 /nfs/dbraw/zinc/38/40/44/549384044.db2.gz WUUBUKJNOCODHP-BXUZGUMPSA-N 1 2 367.768 2.286 20 5 FEBDLO C[N@H+]1CC[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000247816512 549384048 /nfs/dbraw/zinc/38/40/48/549384048.db2.gz WUUBUKJNOCODHP-BXUZGUMPSA-N 1 2 367.768 2.286 20 5 FEBDLO COCC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCO[C@@H]1C ZINC000489490176 561412649 /nfs/dbraw/zinc/41/26/49/561412649.db2.gz YGFWMCHINNSWPH-IUODEOHRSA-N 1 2 362.386 2.271 20 5 FEBDLO COCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCO[C@@H]1C ZINC000489490176 561412650 /nfs/dbraw/zinc/41/26/50/561412650.db2.gz YGFWMCHINNSWPH-IUODEOHRSA-N 1 2 362.386 2.271 20 5 FEBDLO CCc1n[nH]c(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000263653238 549913717 /nfs/dbraw/zinc/91/37/17/549913717.db2.gz HPNDTNCJBBHNCT-UHFFFAOYSA-N 1 2 358.402 2.196 20 5 FEBDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)[nH]1 ZINC000268411525 550060693 /nfs/dbraw/zinc/06/06/93/550060693.db2.gz AVIVULPIGZFUBB-CYBMUJFWSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)[nH]1 ZINC000268411525 550060694 /nfs/dbraw/zinc/06/06/94/550060694.db2.gz AVIVULPIGZFUBB-CYBMUJFWSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000268411525 550060696 /nfs/dbraw/zinc/06/06/96/550060696.db2.gz AVIVULPIGZFUBB-CYBMUJFWSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000268411525 550060697 /nfs/dbraw/zinc/06/06/97/550060697.db2.gz AVIVULPIGZFUBB-CYBMUJFWSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n[nH]1 ZINC000268411525 550060698 /nfs/dbraw/zinc/06/06/98/550060698.db2.gz AVIVULPIGZFUBB-CYBMUJFWSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n[nH]1 ZINC000268411525 550060699 /nfs/dbraw/zinc/06/06/99/550060699.db2.gz AVIVULPIGZFUBB-CYBMUJFWSA-N 1 2 369.385 2.451 20 5 FEBDLO CC(C)c1n[nH]c(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1[N+](=O)[O-] ZINC000269328136 550181660 /nfs/dbraw/zinc/18/16/60/550181660.db2.gz DMWXKFRGCUFUOR-CYBMUJFWSA-N 1 2 372.429 2.355 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+](C)[C@@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000269559847 550206316 /nfs/dbraw/zinc/20/63/16/550206316.db2.gz KMAFVSJVLQCEMW-KRWDZBQOSA-N 1 2 359.382 2.207 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000269559847 550206318 /nfs/dbraw/zinc/20/63/18/550206318.db2.gz KMAFVSJVLQCEMW-KRWDZBQOSA-N 1 2 359.382 2.207 20 5 FEBDLO CCN(CCS(C)(=O)=O)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000269859399 550231376 /nfs/dbraw/zinc/23/13/76/550231376.db2.gz IIZHGVDBOLQPDG-UHFFFAOYSA-N 1 2 364.427 2.231 20 5 FEBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000270006396 550242953 /nfs/dbraw/zinc/24/29/53/550242953.db2.gz JLKGVVYSMFUXRA-OAHLLOKOSA-N 1 2 365.393 2.340 20 5 FEBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000271161358 550347266 /nfs/dbraw/zinc/34/72/66/550347266.db2.gz ZMKLUBKWHHRBKO-AWEZNQCLSA-N 1 2 364.427 2.070 20 5 FEBDLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271477325 550378571 /nfs/dbraw/zinc/37/85/71/550378571.db2.gz GQVNDFLIGAAERE-LLVKDONJSA-N 1 2 358.354 2.350 20 5 FEBDLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271477325 550378574 /nfs/dbraw/zinc/37/85/74/550378574.db2.gz GQVNDFLIGAAERE-LLVKDONJSA-N 1 2 358.354 2.350 20 5 FEBDLO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000271727924 550397820 /nfs/dbraw/zinc/39/78/20/550397820.db2.gz MWFBDQSGCONBDQ-GJZGRUSLSA-N 1 2 362.430 2.162 20 5 FEBDLO C[C@H](CC[S@@](C)=O)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272569534 550458485 /nfs/dbraw/zinc/45/84/85/550458485.db2.gz VRJBXFZNHSHLKQ-MHGHZUBYSA-N 1 2 350.444 2.164 20 5 FEBDLO O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NCC1([NH+]2CCOCC2)CC1 ZINC000278002130 550737738 /nfs/dbraw/zinc/73/77/38/550737738.db2.gz RWVVMFIWOZTEEU-DUXPYHPUSA-N 1 2 365.817 2.242 20 5 FEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCOC)CC1 ZINC000495041563 561481471 /nfs/dbraw/zinc/48/14/71/561481471.db2.gz UHXXORHDULMUSL-UHFFFAOYSA-N 1 2 353.444 2.111 20 5 FEBDLO Cc1ccc([C@@H](C)NC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000278661227 550809087 /nfs/dbraw/zinc/80/90/87/550809087.db2.gz AAXWGZIJSBEMPC-LSDHHAIUSA-N 1 2 364.446 2.326 20 5 FEBDLO Cc1nn(CCC(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)c(C)c1[N+](=O)[O-] ZINC000278717483 550814671 /nfs/dbraw/zinc/81/46/71/550814671.db2.gz SNORVANNUJTZSW-UHFFFAOYSA-N 1 2 371.401 2.379 20 5 FEBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)O1 ZINC000279030851 550848773 /nfs/dbraw/zinc/84/87/73/550848773.db2.gz AOSDNRVBQRWYCT-TXEJJXNPSA-N 1 2 355.822 2.429 20 5 FEBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)O1 ZINC000279030851 550848774 /nfs/dbraw/zinc/84/87/74/550848774.db2.gz AOSDNRVBQRWYCT-TXEJJXNPSA-N 1 2 355.822 2.429 20 5 FEBDLO C[N@H+](CCN1CCOC(C)(C)C1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000279835496 550934142 /nfs/dbraw/zinc/93/41/42/550934142.db2.gz ZZXQBWBDLPCIMG-UHFFFAOYSA-N 1 2 365.430 2.004 20 5 FEBDLO C[N@@H+](CCN1CCOC(C)(C)C1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000279835496 550934144 /nfs/dbraw/zinc/93/41/44/550934144.db2.gz ZZXQBWBDLPCIMG-UHFFFAOYSA-N 1 2 365.430 2.004 20 5 FEBDLO O=C1c2ccccc2C(=O)N1CCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000495480854 561488998 /nfs/dbraw/zinc/48/89/98/561488998.db2.gz QJHLPYFIOZDCJC-UHFFFAOYSA-N 1 2 366.377 2.034 20 5 FEBDLO O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000495480854 561488999 /nfs/dbraw/zinc/48/89/99/561488999.db2.gz QJHLPYFIOZDCJC-UHFFFAOYSA-N 1 2 366.377 2.034 20 5 FEBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CCO2 ZINC000280430652 550992797 /nfs/dbraw/zinc/99/27/97/550992797.db2.gz MKTMDLUBTRODKF-YVEFUNNKSA-N 1 2 360.370 2.025 20 5 FEBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CCO2 ZINC000280430652 550992799 /nfs/dbraw/zinc/99/27/99/550992799.db2.gz MKTMDLUBTRODKF-YVEFUNNKSA-N 1 2 360.370 2.025 20 5 FEBDLO COC(=O)c1nc([C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)sc1C ZINC000280498083 551000783 /nfs/dbraw/zinc/00/07/83/551000783.db2.gz QQCDUOWPJRHUTE-LLVKDONJSA-N 1 2 365.415 2.180 20 5 FEBDLO COC(=O)c1nc([C@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)sc1C ZINC000280498083 551000784 /nfs/dbraw/zinc/00/07/84/551000784.db2.gz QQCDUOWPJRHUTE-LLVKDONJSA-N 1 2 365.415 2.180 20 5 FEBDLO CC1(C)COCC[N@@H+]1CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000280678050 551020502 /nfs/dbraw/zinc/02/05/02/551020502.db2.gz PYMTWIIHGFWEQP-UHFFFAOYSA-N 1 2 373.812 2.157 20 5 FEBDLO CC1(C)COCC[N@H+]1CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000280678050 551020503 /nfs/dbraw/zinc/02/05/03/551020503.db2.gz PYMTWIIHGFWEQP-UHFFFAOYSA-N 1 2 373.812 2.157 20 5 FEBDLO C[NH+](C)CCOc1cccc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000280796625 551033200 /nfs/dbraw/zinc/03/32/00/551033200.db2.gz PAYZLEJIDFUVCU-UHFFFAOYSA-N 1 2 359.382 2.171 20 5 FEBDLO CN(C(=O)C[N@@H+]1CC[C@H](OCc2ccncc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000281047418 551057987 /nfs/dbraw/zinc/05/79/87/551057987.db2.gz QOFYRCIIJBAQTH-SFHVURJKSA-N 1 2 370.409 2.244 20 5 FEBDLO CN(C(=O)C[N@H+]1CC[C@H](OCc2ccncc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000281047418 551057989 /nfs/dbraw/zinc/05/79/89/551057989.db2.gz QOFYRCIIJBAQTH-SFHVURJKSA-N 1 2 370.409 2.244 20 5 FEBDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](C)C1 ZINC000282184620 551191783 /nfs/dbraw/zinc/19/17/83/551191783.db2.gz NHTLQYJAWRXCCR-CYBMUJFWSA-N 1 2 373.413 2.063 20 5 FEBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](C)C1 ZINC000282184620 551191784 /nfs/dbraw/zinc/19/17/84/551191784.db2.gz NHTLQYJAWRXCCR-CYBMUJFWSA-N 1 2 373.413 2.063 20 5 FEBDLO NC(=O)c1ccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)cc1 ZINC000283145685 551319089 /nfs/dbraw/zinc/31/90/89/551319089.db2.gz OGNXQWSRRJIJKP-UHFFFAOYSA-N 1 2 358.373 2.155 20 5 FEBDLO C[N@@H+]1C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](c2ccccc2)C1 ZINC000497801936 561509226 /nfs/dbraw/zinc/50/92/26/561509226.db2.gz DZUDCVXMJGIVTM-WBVHZDCISA-N 1 2 365.393 2.299 20 5 FEBDLO C[N@H+]1C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](c2ccccc2)C1 ZINC000497801936 561509227 /nfs/dbraw/zinc/50/92/27/561509227.db2.gz DZUDCVXMJGIVTM-WBVHZDCISA-N 1 2 365.393 2.299 20 5 FEBDLO Cc1noc(C(C)(C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000284775515 551629935 /nfs/dbraw/zinc/62/99/35/551629935.db2.gz DUTQDDZWKZJZPQ-UHFFFAOYSA-N 1 2 356.342 2.137 20 5 FEBDLO CC[C@H](NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000284971658 551680406 /nfs/dbraw/zinc/68/04/06/551680406.db2.gz RAFZWLJNERZJGL-YESZJQIVSA-N 1 2 362.430 2.160 20 5 FEBDLO CC[C@H](NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000284971658 551680407 /nfs/dbraw/zinc/68/04/07/551680407.db2.gz RAFZWLJNERZJGL-YESZJQIVSA-N 1 2 362.430 2.160 20 5 FEBDLO Cc1noc([C@@H]2CCCC[N@@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000285501193 551765775 /nfs/dbraw/zinc/76/57/75/551765775.db2.gz CRDMJFJLDYXUAZ-HOCLYGCPSA-N 1 2 362.386 2.253 20 5 FEBDLO Cc1noc([C@@H]2CCCC[N@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000285501193 551765777 /nfs/dbraw/zinc/76/57/77/551765777.db2.gz CRDMJFJLDYXUAZ-HOCLYGCPSA-N 1 2 362.386 2.253 20 5 FEBDLO CCc1n[nH]c(C(=O)N2CCC[C@H]2c2[nH+]c3c(n2C)CCCC3)c1[N+](=O)[O-] ZINC000286132306 551852365 /nfs/dbraw/zinc/85/23/65/551852365.db2.gz MSRGTSBIMPZHHE-AWEZNQCLSA-N 1 2 372.429 2.470 20 5 FEBDLO CCc1[nH]nc(C(=O)N2CCC[C@H]2c2[nH+]c3c(n2C)CCCC3)c1[N+](=O)[O-] ZINC000286132306 551852366 /nfs/dbraw/zinc/85/23/66/551852366.db2.gz MSRGTSBIMPZHHE-AWEZNQCLSA-N 1 2 372.429 2.470 20 5 FEBDLO COc1cc[nH+]cc1COC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000287276833 551984111 /nfs/dbraw/zinc/98/41/11/551984111.db2.gz SWBVPBJEXHMMNT-UHFFFAOYSA-N 1 2 373.365 2.192 20 5 FEBDLO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000288501627 552164601 /nfs/dbraw/zinc/16/46/01/552164601.db2.gz ULSLEDIQYXWFFL-SJORKVTESA-N 1 2 371.441 2.209 20 5 FEBDLO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000288501627 552164603 /nfs/dbraw/zinc/16/46/03/552164603.db2.gz ULSLEDIQYXWFFL-SJORKVTESA-N 1 2 371.441 2.209 20 5 FEBDLO NC(=O)c1ccc(C[NH2+][C@@H](CO)c2cccc(Cl)c2F)c([N+](=O)[O-])c1 ZINC000499937671 561562401 /nfs/dbraw/zinc/56/24/01/561562401.db2.gz HPYTVHLHAYUNBL-ZDUSSCGKSA-N 1 2 367.764 2.309 20 5 FEBDLO C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000500714250 561580003 /nfs/dbraw/zinc/58/00/03/561580003.db2.gz SGLAXRWMASOXLN-CYBMUJFWSA-N 1 2 355.394 2.477 20 5 FEBDLO C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000500714250 561580004 /nfs/dbraw/zinc/58/00/04/561580004.db2.gz SGLAXRWMASOXLN-CYBMUJFWSA-N 1 2 355.394 2.477 20 5 FEBDLO COc1cc(C(=O)N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000290897129 552557859 /nfs/dbraw/zinc/55/78/59/552557859.db2.gz GUSVGIDEVQEATP-UHFFFAOYSA-N 1 2 368.296 2.057 20 5 FEBDLO Cc1ccc(NCCCNC(=O)N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])c1 ZINC000291149405 552593420 /nfs/dbraw/zinc/59/34/20/552593420.db2.gz XQIYEPYJIDWSKT-UHFFFAOYSA-N 1 2 358.402 2.127 20 5 FEBDLO CN(CC[NH+]1CCOCC1)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291569234 552638733 /nfs/dbraw/zinc/63/87/33/552638733.db2.gz SPKJDUFHZBXZNA-UHFFFAOYSA-N 1 2 362.213 2.306 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC(F)(F)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000291602038 552642046 /nfs/dbraw/zinc/64/20/46/552642046.db2.gz BWWJPDBTLDVYLW-NEPJUHHUSA-N 1 2 357.357 2.180 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC(F)(F)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000291602038 552642047 /nfs/dbraw/zinc/64/20/47/552642047.db2.gz BWWJPDBTLDVYLW-NEPJUHHUSA-N 1 2 357.357 2.180 20 5 FEBDLO C[C@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000292216915 552705451 /nfs/dbraw/zinc/70/54/51/552705451.db2.gz HTZYOQNCEQWBHJ-KBPBESRZSA-N 1 2 364.446 2.238 20 5 FEBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2c([N+](=O)[O-])cnn2C)c(C)c1 ZINC000501488709 561598668 /nfs/dbraw/zinc/59/86/68/561598668.db2.gz RIPKEZDXKRDNIP-HNNXBMFYSA-N 1 2 368.397 2.313 20 5 FEBDLO COCC[N@H+](CC(=O)N(C)C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292689119 552749610 /nfs/dbraw/zinc/74/96/10/552749610.db2.gz AJBILJUDILPODE-UHFFFAOYSA-N 1 2 363.336 2.150 20 5 FEBDLO COCC[N@@H+](CC(=O)N(C)C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292689119 552749611 /nfs/dbraw/zinc/74/96/11/552749611.db2.gz AJBILJUDILPODE-UHFFFAOYSA-N 1 2 363.336 2.150 20 5 FEBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000292996536 552778674 /nfs/dbraw/zinc/77/86/74/552778674.db2.gz CNROPGDIPUEPHD-GOSISDBHSA-N 1 2 373.384 2.225 20 5 FEBDLO COc1cc[nH+]cc1CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000293072718 552786175 /nfs/dbraw/zinc/78/61/75/552786175.db2.gz UHIIANYZLYFXDB-UHFFFAOYSA-N 1 2 351.384 2.094 20 5 FEBDLO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000294895577 552942247 /nfs/dbraw/zinc/94/22/47/552942247.db2.gz WVVCTDCCPNSNBL-RUZDIDTESA-N 1 2 368.455 2.179 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000295192366 552968490 /nfs/dbraw/zinc/96/84/90/552968490.db2.gz DGOFLIXLHATASJ-AWEZNQCLSA-N 1 2 364.427 2.241 20 5 FEBDLO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000295721696 553049723 /nfs/dbraw/zinc/04/97/23/553049723.db2.gz VHNKAXQZSIZNFQ-SHZVTRLKSA-N 1 2 368.455 2.432 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000502483908 561619592 /nfs/dbraw/zinc/61/95/92/561619592.db2.gz DYUVOSWQUASFQA-UHFFFAOYSA-N 1 2 371.434 2.124 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])CCC2 ZINC000502533371 561620525 /nfs/dbraw/zinc/62/05/25/561620525.db2.gz YAOCKQKVPGYSFB-CQSZACIVSA-N 1 2 372.429 2.388 20 5 FEBDLO COC(=O)c1cc(C)nc(N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000296384714 553151296 /nfs/dbraw/zinc/15/12/96/553151296.db2.gz ULECGMDYQKASDW-ZDUSSCGKSA-N 1 2 359.386 2.406 20 5 FEBDLO COC(=O)Cc1ccc(N2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000296556864 553179235 /nfs/dbraw/zinc/17/92/35/553179235.db2.gz PGVQYZRDLKKEIR-UHFFFAOYSA-N 1 2 370.409 2.028 20 5 FEBDLO CC1(C)C[C@H](O)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000296993982 553239751 /nfs/dbraw/zinc/23/97/51/553239751.db2.gz PYUACCMCKFJLMA-CQSZACIVSA-N 1 2 358.398 2.404 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000297444259 553293181 /nfs/dbraw/zinc/29/31/81/553293181.db2.gz OMQQVBFJVNISIQ-LBPRGKRZSA-N 1 2 366.418 2.378 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000297444259 553293182 /nfs/dbraw/zinc/29/31/82/553293182.db2.gz OMQQVBFJVNISIQ-LBPRGKRZSA-N 1 2 366.418 2.378 20 5 FEBDLO CC[C@H](C)[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(=O)OC ZINC000298904651 553487444 /nfs/dbraw/zinc/48/74/44/553487444.db2.gz MTJVIWRAVDPETD-ZBEGNZNMSA-N 1 2 367.402 2.109 20 5 FEBDLO O=C(CCNc1ccc(F)cc1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000301123710 553623975 /nfs/dbraw/zinc/62/39/75/553623975.db2.gz RZNPDNMWLPZATL-UHFFFAOYSA-N 1 2 373.388 2.280 20 5 FEBDLO COCc1cc([N+](=O)[O-])ccc1N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000301597791 553664454 /nfs/dbraw/zinc/66/44/54/553664454.db2.gz SVTBGKRQHOWPIK-GFCCVEGCSA-N 1 2 350.444 2.355 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3c(C)noc3C)CC2)c1 ZINC000302078045 553702829 /nfs/dbraw/zinc/70/28/29/553702829.db2.gz HZPLNBYVOUZCFC-UHFFFAOYSA-N 1 2 374.397 2.308 20 5 FEBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000505470224 561671624 /nfs/dbraw/zinc/67/16/24/561671624.db2.gz YQSSBLRCOSEVLR-QGZVFWFLSA-N 1 2 365.393 2.118 20 5 FEBDLO CC(C)SCC[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000330427208 554120247 /nfs/dbraw/zinc/12/02/47/554120247.db2.gz JABRMTHXOGUQGR-UHFFFAOYSA-N 1 2 373.500 2.043 20 5 FEBDLO O=[N+]([O-])c1ccc2ncnc(NCc3cc[nH+]c(N4CCOCC4)c3)c2c1 ZINC000609850128 554429502 /nfs/dbraw/zinc/42/95/02/554429502.db2.gz YHQKTDQZLHJFLY-UHFFFAOYSA-N 1 2 366.381 2.382 20 5 FEBDLO CC1(C)C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCS1 ZINC000332647068 554490126 /nfs/dbraw/zinc/49/01/26/554490126.db2.gz ZWUCBHAAZWETAC-UHFFFAOYSA-N 1 2 353.400 2.089 20 5 FEBDLO CC1(C)C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCS1 ZINC000332647068 554490128 /nfs/dbraw/zinc/49/01/28/554490128.db2.gz ZWUCBHAAZWETAC-UHFFFAOYSA-N 1 2 353.400 2.089 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CCc1noc(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000350756543 554811056 /nfs/dbraw/zinc/81/10/56/554811056.db2.gz GCRNWNBQGFMKOS-UHFFFAOYSA-N 1 2 353.342 2.123 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000361791070 554934947 /nfs/dbraw/zinc/93/49/47/554934947.db2.gz YALLIDXSKGRQHB-CYBMUJFWSA-N 1 2 364.427 2.123 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H](C(F)(F)F)[C@H](CO)C3)nc2c1 ZINC000511647541 561876384 /nfs/dbraw/zinc/87/63/84/561876384.db2.gz KNDIVNRZWOKKBP-ONGXEEELSA-N 1 2 358.320 2.464 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H](C(F)(F)F)[C@H](CO)C3)nc2c1 ZINC000511647541 561876385 /nfs/dbraw/zinc/87/63/85/561876385.db2.gz KNDIVNRZWOKKBP-ONGXEEELSA-N 1 2 358.320 2.464 20 5 FEBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000363203874 555053123 /nfs/dbraw/zinc/05/31/23/555053123.db2.gz SIYUWEQTRZGORM-UHFFFAOYSA-N 1 2 355.398 2.434 20 5 FEBDLO O=C(C[N@H+]1CC[C@@H](O)c2ccccc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000363775660 555183373 /nfs/dbraw/zinc/18/33/73/555183373.db2.gz KDAFSLUWEAVUCA-LJQANCHMSA-N 1 2 367.405 2.423 20 5 FEBDLO O=C(C[N@@H+]1CC[C@@H](O)c2ccccc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000363775660 555183376 /nfs/dbraw/zinc/18/33/76/555183376.db2.gz KDAFSLUWEAVUCA-LJQANCHMSA-N 1 2 367.405 2.423 20 5 FEBDLO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000364054581 555241710 /nfs/dbraw/zinc/24/17/10/555241710.db2.gz JEFFINPKXRSEPH-DFBGVHRSSA-N 1 2 371.397 2.263 20 5 FEBDLO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000364054581 555241713 /nfs/dbraw/zinc/24/17/13/555241713.db2.gz JEFFINPKXRSEPH-DFBGVHRSSA-N 1 2 371.397 2.263 20 5 FEBDLO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364191237 555266675 /nfs/dbraw/zinc/26/66/75/555266675.db2.gz RXNDIAHUDIQYDM-GFCCVEGCSA-N 1 2 371.378 2.288 20 5 FEBDLO COc1ccc(NC(=O)C[NH+]2CCC(c3cn[nH]c3)CC2)c([N+](=O)[O-])c1 ZINC000364632452 555358324 /nfs/dbraw/zinc/35/83/24/555358324.db2.gz SKZBWIBDXMJTKN-UHFFFAOYSA-N 1 2 359.386 2.145 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3nnc4n3CCOC4)o2)cc1 ZINC000364843296 555413842 /nfs/dbraw/zinc/41/38/42/555413842.db2.gz JTZSSBRKKVYCNJ-UHFFFAOYSA-N 1 2 355.354 2.266 20 5 FEBDLO COc1cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc([N+](=O)[O-])c1C ZINC000365059306 555475846 /nfs/dbraw/zinc/47/58/46/555475846.db2.gz VVUGGPKTMQXNIL-UHFFFAOYSA-N 1 2 358.398 2.417 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C2 ZINC000365061661 555476336 /nfs/dbraw/zinc/47/63/36/555476336.db2.gz DNZOPWWFUQQTFU-OAHLLOKOSA-N 1 2 357.414 2.423 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)C2 ZINC000365192502 555507038 /nfs/dbraw/zinc/50/70/38/555507038.db2.gz XCCHEKQAZZUFSX-ZDUSSCGKSA-N 1 2 364.427 2.010 20 5 FEBDLO CCOc1cc(N2CC[NH+](Cc3ccnc(C)n3)CC2)ccc1[N+](=O)[O-] ZINC000513368344 561935518 /nfs/dbraw/zinc/93/55/18/561935518.db2.gz VKCJZLLSUZCXAV-UHFFFAOYSA-N 1 2 357.414 2.414 20 5 FEBDLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365828952 555677266 /nfs/dbraw/zinc/67/72/66/555677266.db2.gz WKUSZBQXSFNERO-KBPBESRZSA-N 1 2 367.358 2.046 20 5 FEBDLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365828952 555677269 /nfs/dbraw/zinc/67/72/69/555677269.db2.gz WKUSZBQXSFNERO-KBPBESRZSA-N 1 2 367.358 2.046 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000368454120 556313744 /nfs/dbraw/zinc/31/37/44/556313744.db2.gz JKYZSVHZAICWAH-QWHCGFSZSA-N 1 2 370.413 2.174 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000368454120 556313746 /nfs/dbraw/zinc/31/37/46/556313746.db2.gz JKYZSVHZAICWAH-QWHCGFSZSA-N 1 2 370.413 2.174 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](NC(=O)C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000369066792 556495895 /nfs/dbraw/zinc/49/58/95/556495895.db2.gz SEIVIRDCNAMXGI-ZFWWWQNUSA-N 1 2 374.441 2.221 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](NC(=O)C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000369066792 556495901 /nfs/dbraw/zinc/49/59/01/556495901.db2.gz SEIVIRDCNAMXGI-ZFWWWQNUSA-N 1 2 374.441 2.221 20 5 FEBDLO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000369248434 556549055 /nfs/dbraw/zinc/54/90/55/556549055.db2.gz FBATXPVIJBTOHL-OAHLLOKOSA-N 1 2 372.429 2.296 20 5 FEBDLO Cc1nc(C)n(C[C@H]2CCCC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000369248434 556549056 /nfs/dbraw/zinc/54/90/56/556549056.db2.gz FBATXPVIJBTOHL-OAHLLOKOSA-N 1 2 372.429 2.296 20 5 FEBDLO C[NH+]1CCN(C[C@@H]2CCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000369311655 556571909 /nfs/dbraw/zinc/57/19/09/556571909.db2.gz XWXJUKUCXSZVNM-YOCVDRLZSA-N 1 2 372.469 2.094 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000369365606 556581630 /nfs/dbraw/zinc/58/16/30/556581630.db2.gz DKCMUITZKMYNHM-NSHDSACASA-N 1 2 368.390 2.036 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCn2c(CC(F)(F)F)nnc2C1 ZINC000369683450 556668050 /nfs/dbraw/zinc/66/80/50/556668050.db2.gz LOQALGXFJYTWQD-UHFFFAOYSA-N 1 2 371.319 2.316 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCn2c(CC(F)(F)F)nnc2C1 ZINC000369683450 556668054 /nfs/dbraw/zinc/66/80/54/556668054.db2.gz LOQALGXFJYTWQD-UHFFFAOYSA-N 1 2 371.319 2.316 20 5 FEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCc3[nH]nc(C(F)(F)F)c3C2)c1 ZINC000370998466 557040664 /nfs/dbraw/zinc/04/06/64/557040664.db2.gz MDVSMXBRNYLDDR-CYBMUJFWSA-N 1 2 356.304 2.428 20 5 FEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCc3[nH]nc(C(F)(F)F)c3C2)c1 ZINC000370998466 557040666 /nfs/dbraw/zinc/04/06/66/557040666.db2.gz MDVSMXBRNYLDDR-CYBMUJFWSA-N 1 2 356.304 2.428 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c2ncccc12 ZINC000372057231 557369012 /nfs/dbraw/zinc/36/90/12/557369012.db2.gz CZDDQIUXFOOEKN-ZDUSSCGKSA-N 1 2 373.394 2.392 20 5 FEBDLO C[C@@H](c1cccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000518792381 562118731 /nfs/dbraw/zinc/11/87/31/562118731.db2.gz HDACUCPCGXJQIT-LBPRGKRZSA-N 1 2 371.397 2.218 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000519743487 562142122 /nfs/dbraw/zinc/14/21/22/562142122.db2.gz BLGWVSZGJLNPTA-AWEZNQCLSA-N 1 2 363.414 2.112 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000519743487 562142123 /nfs/dbraw/zinc/14/21/23/562142123.db2.gz BLGWVSZGJLNPTA-AWEZNQCLSA-N 1 2 363.414 2.112 20 5 FEBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000372993889 557605619 /nfs/dbraw/zinc/60/56/19/557605619.db2.gz XVDUURUCFGVPOW-UHFFFAOYSA-N 1 2 370.456 2.229 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)N1CCc2ccccc21 ZINC000373566037 557719351 /nfs/dbraw/zinc/71/93/51/557719351.db2.gz GUMYQXYZKZNDET-HNNXBMFYSA-N 1 2 355.398 2.018 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)N1CCc2ccccc21 ZINC000373566037 557719352 /nfs/dbraw/zinc/71/93/52/557719352.db2.gz GUMYQXYZKZNDET-HNNXBMFYSA-N 1 2 355.398 2.018 20 5 FEBDLO Cc1cc(OCC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000373723769 557745329 /nfs/dbraw/zinc/74/53/29/557745329.db2.gz AOZPCEOXDYKBCE-UHFFFAOYSA-N 1 2 367.365 2.179 20 5 FEBDLO Cc1cc(OCC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000373771086 557755907 /nfs/dbraw/zinc/75/59/07/557755907.db2.gz ZKGVKHRFZZROBM-OAHLLOKOSA-N 1 2 370.409 2.462 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCCOC(C)(C)C1 ZINC000374244076 557849662 /nfs/dbraw/zinc/84/96/62/557849662.db2.gz UFROACJWHGGRKQ-GFCCVEGCSA-N 1 2 351.403 2.431 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCCOC(C)(C)C1 ZINC000374244076 557849664 /nfs/dbraw/zinc/84/96/64/557849664.db2.gz UFROACJWHGGRKQ-GFCCVEGCSA-N 1 2 351.403 2.431 20 5 FEBDLO C[C@@H](C(=O)N1CC[NH2+][C@H](c2ccncc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000374383995 557875980 /nfs/dbraw/zinc/87/59/80/557875980.db2.gz AJKSYYVBKMIVBA-PXAZEXFGSA-N 1 2 358.373 2.406 20 5 FEBDLO O=C1[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CCN2C(=O)N1c1ccccc1 ZINC000374657954 557912920 /nfs/dbraw/zinc/91/29/20/557912920.db2.gz AJJIREUYJACGLH-KRWDZBQOSA-N 1 2 366.377 2.248 20 5 FEBDLO O=C1[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CCN2C(=O)N1c1ccccc1 ZINC000374657954 557912922 /nfs/dbraw/zinc/91/29/22/557912922.db2.gz AJJIREUYJACGLH-KRWDZBQOSA-N 1 2 366.377 2.248 20 5 FEBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375116015 557980029 /nfs/dbraw/zinc/98/00/29/557980029.db2.gz WQZUNWZIOOAKBD-UHFFFAOYSA-N 1 2 370.818 2.260 20 5 FEBDLO COc1ccc(C[N@@H+]2CCc3nn(C(C)C)c(=O)cc3C2)cc1[N+](=O)[O-] ZINC000375863222 558090573 /nfs/dbraw/zinc/09/05/73/558090573.db2.gz XABUXURMMWSRCD-UHFFFAOYSA-N 1 2 358.398 2.299 20 5 FEBDLO COc1ccc(C[N@H+]2CCc3nn(C(C)C)c(=O)cc3C2)cc1[N+](=O)[O-] ZINC000375863222 558090574 /nfs/dbraw/zinc/09/05/74/558090574.db2.gz XABUXURMMWSRCD-UHFFFAOYSA-N 1 2 358.398 2.299 20 5 FEBDLO Cc1ccc(NC(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000375934883 558102248 /nfs/dbraw/zinc/10/22/48/558102248.db2.gz UJFLAPIOMKVAFQ-UHFFFAOYSA-N 1 2 371.397 2.033 20 5 FEBDLO Cc1c([N+](=O)[O-])cc(C(=O)Nc2c[nH+]ccc2-n2ccnn2)cc1[N+](=O)[O-] ZINC000377442295 558341638 /nfs/dbraw/zinc/34/16/38/558341638.db2.gz LZWCWHKEDDTGLM-UHFFFAOYSA-N 1 2 369.297 2.039 20 5 FEBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1c[nH+]ccc1-n1ccnn1 ZINC000377442245 558341715 /nfs/dbraw/zinc/34/17/15/558341715.db2.gz LMXKNVLFPAHATG-UHFFFAOYSA-N 1 2 363.337 2.233 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000377953234 558451199 /nfs/dbraw/zinc/45/11/99/558451199.db2.gz WTQKEXMEABULLV-INIZCTEOSA-N 1 2 355.398 2.276 20 5 FEBDLO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000378571449 558586084 /nfs/dbraw/zinc/58/60/84/558586084.db2.gz NJLVHPLAGAMXGO-BSXOQXRQSA-N 1 2 369.425 2.017 20 5 FEBDLO COc1ccc(CNC(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1[N+](=O)[O-] ZINC000411175835 558848698 /nfs/dbraw/zinc/84/86/98/558848698.db2.gz FBYPRGLPKAPYEJ-UHFFFAOYSA-N 1 2 372.381 2.179 20 5 FEBDLO Cc1nnc([C@H](C)[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)[nH]1 ZINC000411531000 558911579 /nfs/dbraw/zinc/91/15/79/558911579.db2.gz WQPODJMERKZMMP-NSHDSACASA-N 1 2 370.417 2.171 20 5 FEBDLO Cc1nnc([C@H](C)[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)[nH]1 ZINC000411531000 558911580 /nfs/dbraw/zinc/91/15/80/558911580.db2.gz WQPODJMERKZMMP-NSHDSACASA-N 1 2 370.417 2.171 20 5 FEBDLO Cn1cccc1[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411548970 558915105 /nfs/dbraw/zinc/91/51/05/558915105.db2.gz GIMHAJVUVGQQBQ-QGZVFWFLSA-N 1 2 358.398 2.335 20 5 FEBDLO Cn1cccc1[C@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411548970 558915108 /nfs/dbraw/zinc/91/51/08/558915108.db2.gz GIMHAJVUVGQQBQ-QGZVFWFLSA-N 1 2 358.398 2.335 20 5 FEBDLO CC(C)OC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000411794202 558964579 /nfs/dbraw/zinc/96/45/79/558964579.db2.gz SXPZRCSHSAZGGB-INIZCTEOSA-N 1 2 351.403 2.489 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(CC(=O)NCCCNc2cccc[nH+]2)c1F ZINC000412134894 559016355 /nfs/dbraw/zinc/01/63/55/559016355.db2.gz YLVZASUYRVCQMH-UHFFFAOYSA-N 1 2 362.361 2.298 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(CC(=O)Nc2nc(C[NH+](C)C)cs2)c1F ZINC000412424655 559034607 /nfs/dbraw/zinc/03/46/07/559034607.db2.gz LWJDXRIAMWKUMA-UHFFFAOYSA-N 1 2 368.390 2.442 20 5 FEBDLO CC(C)OCCOC[C@@H](O)CN(C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413077017 559075760 /nfs/dbraw/zinc/07/57/60/559075760.db2.gz BGULTZAPRCNJMQ-INIZCTEOSA-N 1 2 363.414 2.382 20 5 FEBDLO C[C@@H](O)[C@@H]1CCN(c2cc(N(C)CCc3ccccc3[N+](=O)[O-])[nH+]cn2)C1 ZINC000413282774 559095381 /nfs/dbraw/zinc/09/53/81/559095381.db2.gz QOLJWRASPFOWAN-GDBMZVCRSA-N 1 2 371.441 2.271 20 5 FEBDLO C[C@@H](O)[C@@H]1CCN(c2cc(N(C)CCc3ccccc3[N+](=O)[O-])nc[nH+]2)C1 ZINC000413282774 559095382 /nfs/dbraw/zinc/09/53/82/559095382.db2.gz QOLJWRASPFOWAN-GDBMZVCRSA-N 1 2 371.441 2.271 20 5 FEBDLO C[C@H](C(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000413960659 559143464 /nfs/dbraw/zinc/14/34/64/559143464.db2.gz QOHNWHSLQRDRFV-LBPRGKRZSA-N 1 2 353.394 2.064 20 5 FEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C(C)(C)CO ZINC000414409178 559162318 /nfs/dbraw/zinc/16/23/18/559162318.db2.gz ZMBVMTKKEYCNOZ-CYBMUJFWSA-N 1 2 365.365 2.349 20 5 FEBDLO COc1ccc(C[NH2+]Cc2ccccc2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000414502295 559169198 /nfs/dbraw/zinc/16/91/98/559169198.db2.gz GILRIFSEEPHPBE-UHFFFAOYSA-N 1 2 350.396 2.297 20 5 FEBDLO CCOc1cc(Cn2c3ccccc3[nH]c2=[NH+]CCO)ccc1[N+](=O)[O-] ZINC000428269230 559772609 /nfs/dbraw/zinc/77/26/09/559772609.db2.gz PHAQSIMGWPGYAH-UHFFFAOYSA-N 1 2 356.382 2.796 20 5 FEBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428367206 559774052 /nfs/dbraw/zinc/77/40/52/559774052.db2.gz PBEDNHHYLOWWAO-PWSUYJOCSA-N 1 2 364.789 2.343 20 5 FEBDLO CCN1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000433470659 559882453 /nfs/dbraw/zinc/88/24/53/559882453.db2.gz LEYIBPRDVSRVSP-AWEZNQCLSA-N 1 2 363.805 2.490 20 5 FEBDLO O=[N+]([O-])c1ccc(NCC2([NH+]3CCOCC3)CC2)nc1-c1ccccc1 ZINC000433804307 559888081 /nfs/dbraw/zinc/88/80/81/559888081.db2.gz HNWVYPURYBJGGE-UHFFFAOYSA-N 1 2 354.410 2.934 20 5 FEBDLO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)nc2)C1 ZINC000436996698 559958929 /nfs/dbraw/zinc/95/89/29/559958929.db2.gz DUYQLANDUMHZRK-AWEZNQCLSA-N 1 2 371.397 2.088 20 5 FEBDLO Cc1ccn2cc(CNc3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)[nH+]c2c1 ZINC000439109942 559988599 /nfs/dbraw/zinc/98/85/99/559988599.db2.gz SIKCSYLJKYPXHV-UHFFFAOYSA-N 1 2 350.338 2.812 20 5 FEBDLO COc1cccc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)c1[N+](=O)[O-] ZINC000444123229 560102471 /nfs/dbraw/zinc/10/24/71/560102471.db2.gz BRDJLGKJQXXRRZ-UHFFFAOYSA-N 1 2 358.276 2.292 20 5 FEBDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000444780004 560120701 /nfs/dbraw/zinc/12/07/01/560120701.db2.gz MFGAXMJRUSIJNP-SFHVURJKSA-N 1 2 363.414 2.392 20 5 FEBDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000444780004 560120702 /nfs/dbraw/zinc/12/07/02/560120702.db2.gz MFGAXMJRUSIJNP-SFHVURJKSA-N 1 2 363.414 2.392 20 5 FEBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000444828966 560122086 /nfs/dbraw/zinc/12/20/86/560122086.db2.gz PMWJWBIPGPOARB-CQSZACIVSA-N 1 2 371.328 2.087 20 5 FEBDLO CSc1cccc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000447655897 560166009 /nfs/dbraw/zinc/16/60/09/560166009.db2.gz GUGCHOJCSUGTHZ-LBPRGKRZSA-N 1 2 353.444 2.109 20 5 FEBDLO CC(C)(C)NC(=O)CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447806741 560169566 /nfs/dbraw/zinc/16/95/66/560169566.db2.gz OKLSPPZYCUNNIF-UHFFFAOYSA-N 1 2 364.446 2.144 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1nnc2ccccn21 ZINC000447818903 560170060 /nfs/dbraw/zinc/17/00/60/560170060.db2.gz VLMSGKPITUJFNR-UHFFFAOYSA-N 1 2 368.397 2.082 20 5 FEBDLO CN(CC(=O)OC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448855145 560203028 /nfs/dbraw/zinc/20/30/28/560203028.db2.gz XMAFSIBKTQRMNR-UHFFFAOYSA-N 1 2 360.370 2.194 20 5 FEBDLO COc1cc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000449478880 560231569 /nfs/dbraw/zinc/23/15/69/560231569.db2.gz YVLIXMIMXZWUAF-AWEZNQCLSA-N 1 2 368.283 2.407 20 5 FEBDLO COc1cc(C[N@H+]2CC[C@@](O)(C(F)F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000449478880 560231570 /nfs/dbraw/zinc/23/15/70/560231570.db2.gz YVLIXMIMXZWUAF-AWEZNQCLSA-N 1 2 368.283 2.407 20 5 FEBDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ncc([N+](=O)[O-])c(C)n2)cc1 ZINC000450229639 560254732 /nfs/dbraw/zinc/25/47/32/560254732.db2.gz OVFQZVIGLJIEQI-INIZCTEOSA-N 1 2 357.414 2.487 20 5 FEBDLO Cc1noc([C@@H]2CCN(c3cc(C[NH+]4CCOCC4)ccc3[N+](=O)[O-])C2)n1 ZINC000450752635 560272168 /nfs/dbraw/zinc/27/21/68/560272168.db2.gz GDNCEASRTVAZTG-OAHLLOKOSA-N 1 2 373.413 2.112 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC[C@@]2(CCOC2)C1 ZINC000450881417 560276628 /nfs/dbraw/zinc/27/66/28/560276628.db2.gz MCCMXVNDSOKJBN-LJQANCHMSA-N 1 2 361.442 2.434 20 5 FEBDLO CCc1cc(N[C@@H]2CC[C@H](C(N)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450926255 560278869 /nfs/dbraw/zinc/27/88/69/560278869.db2.gz WPXKAETUXAMLPH-GXTWGEPZSA-N 1 2 355.398 2.102 20 5 FEBDLO COCCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CCO[C@@H]1C ZINC000451472738 560309101 /nfs/dbraw/zinc/30/91/01/560309101.db2.gz UBOXJWAFSXQGFR-UKRRQHHQSA-N 1 2 374.397 2.047 20 5 FEBDLO COCCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CCO[C@@H]1C ZINC000451472737 560309115 /nfs/dbraw/zinc/30/91/15/560309115.db2.gz UBOXJWAFSXQGFR-HIFRSBDPSA-N 1 2 374.397 2.047 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@]2(C1)CCCOC2 ZINC000451574298 560315674 /nfs/dbraw/zinc/31/56/74/560315674.db2.gz ZEDLCXBWNFXIFN-SFHVURJKSA-N 1 2 356.382 2.423 20 5 FEBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2C(N)=O)cc1OC ZINC000451696149 560322707 /nfs/dbraw/zinc/32/27/07/560322707.db2.gz SEXRTSIRCJZKSS-TZMCWYRMSA-N 1 2 365.430 2.478 20 5 FEBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2C(N)=O)cc1OC ZINC000451696149 560322708 /nfs/dbraw/zinc/32/27/08/560322708.db2.gz SEXRTSIRCJZKSS-TZMCWYRMSA-N 1 2 365.430 2.478 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@H](COC(F)F)C1 ZINC000451716388 560324387 /nfs/dbraw/zinc/32/43/87/560324387.db2.gz XWMOKQBWEXOVNY-NSHDSACASA-N 1 2 366.324 2.482 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451891823 560335178 /nfs/dbraw/zinc/33/51/78/560335178.db2.gz OSSLLHONPPFDOS-GBIKHYSHSA-N 1 2 361.320 2.167 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451891823 560335179 /nfs/dbraw/zinc/33/51/79/560335179.db2.gz OSSLLHONPPFDOS-GBIKHYSHSA-N 1 2 361.320 2.167 20 5 FEBDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000451928306 560338046 /nfs/dbraw/zinc/33/80/46/560338046.db2.gz DLNLKOQXMOOLEC-LBPRGKRZSA-N 1 2 352.416 2.468 20 5 FEBDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000451927222 560338163 /nfs/dbraw/zinc/33/81/63/560338163.db2.gz JMYGZEGRWRQSSN-LBPRGKRZSA-N 1 2 352.416 2.468 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000451936225 560339216 /nfs/dbraw/zinc/33/92/16/560339216.db2.gz TZEARARAAYXPKN-NSHDSACASA-N 1 2 352.416 2.413 20 5 FEBDLO CC(C)OCCOC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000451950708 560340287 /nfs/dbraw/zinc/34/02/87/560340287.db2.gz IULLVKXXGATQPT-UHFFFAOYSA-N 1 2 365.430 2.439 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1c[nH+]c(C)cc1C ZINC000452039653 560347146 /nfs/dbraw/zinc/34/71/46/560347146.db2.gz DBNCTMRNZUWEOR-UHFFFAOYSA-N 1 2 351.384 2.094 20 5 FEBDLO O=C(N[C@H]([C@@H](CO)C1CC1)C1CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000452906779 560377486 /nfs/dbraw/zinc/37/74/86/560377486.db2.gz CEZJFZJLVFBUGV-YJBOKZPZSA-N 1 2 370.409 2.307 20 5 FEBDLO O=C(N[C@@H]([C@@H](CO)C1CC1)C1CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000452906777 560377488 /nfs/dbraw/zinc/37/74/88/560377488.db2.gz CEZJFZJLVFBUGV-MAUKXSAKSA-N 1 2 370.409 2.307 20 5 FEBDLO O=C(N[C@@H]([C@H](CO)C1CC1)C1CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000452906776 560377516 /nfs/dbraw/zinc/37/75/16/560377516.db2.gz CEZJFZJLVFBUGV-CRAIPNDOSA-N 1 2 370.409 2.307 20 5 FEBDLO COc1cc(OCC(=O)Nc2nc(C[NH+](C)C)cs2)ccc1[N+](=O)[O-] ZINC000457281367 560559978 /nfs/dbraw/zinc/55/99/78/560559978.db2.gz AUVJRDHQMGZIDT-UHFFFAOYSA-N 1 2 366.399 2.139 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000458024027 560599596 /nfs/dbraw/zinc/59/95/96/560599596.db2.gz WSSPPPBYDQMPHY-WMLDXEAASA-N 1 2 368.393 2.422 20 5 FEBDLO COC(=O)c1oc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1C ZINC000459492430 560689680 /nfs/dbraw/zinc/68/96/80/560689680.db2.gz FQHUQDRZQOFEIG-UHFFFAOYSA-N 1 2 360.370 2.000 20 5 FEBDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCO1 ZINC000470450543 560982295 /nfs/dbraw/zinc/98/22/95/560982295.db2.gz BMAZNVSHIQGDMM-LBPRGKRZSA-N 1 2 373.356 2.037 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCO1 ZINC000470450543 560982296 /nfs/dbraw/zinc/98/22/96/560982296.db2.gz BMAZNVSHIQGDMM-LBPRGKRZSA-N 1 2 373.356 2.037 20 5 FEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000470458953 560982832 /nfs/dbraw/zinc/98/28/32/560982832.db2.gz MKXKLJWKGFLGJD-FUHWJXTLSA-N 1 2 363.458 2.391 20 5 FEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000470458953 560982833 /nfs/dbraw/zinc/98/28/33/560982833.db2.gz MKXKLJWKGFLGJD-FUHWJXTLSA-N 1 2 363.458 2.391 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1c2ccccc2C[C@H]1O ZINC000472352904 561025001 /nfs/dbraw/zinc/02/50/01/561025001.db2.gz FTMGLNFRQQSYSJ-WOJBJXKFSA-N 1 2 369.421 2.497 20 5 FEBDLO CC(C)c1ccc(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)cc1[N+](=O)[O-] ZINC000473580046 561053121 /nfs/dbraw/zinc/05/31/21/561053121.db2.gz AQSBMCHXQJXEQU-UHFFFAOYSA-N 1 2 371.441 2.410 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)nn2)cc1[N+](=O)[O-] ZINC000530748971 562422736 /nfs/dbraw/zinc/42/27/36/562422736.db2.gz GDRQNBWSTGLYRB-LBPRGKRZSA-N 1 2 352.354 2.370 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[NH+]2CCN(Cc3ccc(Cl)s3)CC2)c1 ZINC000531342768 562442710 /nfs/dbraw/zinc/44/27/10/562442710.db2.gz SSZVFWMEWBTDJL-UHFFFAOYSA-N 1 2 355.851 2.324 20 5 FEBDLO O=C1C[C@@H]([NH+]2CCC(C(F)F)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000532440060 562478138 /nfs/dbraw/zinc/47/81/38/562478138.db2.gz HUZWQVBUVGMBTA-CYBMUJFWSA-N 1 2 353.325 2.204 20 5 FEBDLO COC[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000533290166 562503941 /nfs/dbraw/zinc/50/39/41/562503941.db2.gz RATQXJHFNWAQQZ-JTQLQIEISA-N 1 2 372.219 2.264 20 5 FEBDLO COC[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000533290166 562503942 /nfs/dbraw/zinc/50/39/42/562503942.db2.gz RATQXJHFNWAQQZ-JTQLQIEISA-N 1 2 372.219 2.264 20 5 FEBDLO Cc1cc[nH+]cc1N1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000535511749 562560167 /nfs/dbraw/zinc/56/01/67/562560167.db2.gz QEFFRBXSZAYUDO-UHFFFAOYSA-N 1 2 369.425 2.083 20 5 FEBDLO O=[N+]([O-])c1ccc(NC2CCN(c3cccc[nH+]3)CC2)cc1-c1nn[nH]n1 ZINC000826498622 607452575 /nfs/dbraw/zinc/45/25/75/607452575.db2.gz CXFPIWJBHSAUBV-UHFFFAOYSA-N 1 2 366.385 2.251 20 5 FEBDLO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809822291 674512998 /nfs/dbraw/zinc/51/29/98/674512998.db2.gz GUCUDMICIOGIKY-SECBINFHSA-N 1 2 365.814 2.007 20 5 FEBDLO C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809822291 674512999 /nfs/dbraw/zinc/51/29/99/674512999.db2.gz GUCUDMICIOGIKY-SECBINFHSA-N 1 2 365.814 2.007 20 5 FEBDLO C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000813073565 674716482 /nfs/dbraw/zinc/71/64/82/674716482.db2.gz VVVBOYHQBOKARU-UFBFGSQYSA-N 1 2 362.213 2.351 20 5 FEBDLO C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000813073565 674716484 /nfs/dbraw/zinc/71/64/84/674716484.db2.gz VVVBOYHQBOKARU-UFBFGSQYSA-N 1 2 362.213 2.351 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000562109122 674722371 /nfs/dbraw/zinc/72/23/71/674722371.db2.gz IKQCBJCPPPJCRI-UHFFFAOYSA-N 1 2 350.419 2.390 20 5 FEBDLO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814976004 674891795 /nfs/dbraw/zinc/89/17/95/674891795.db2.gz ATPXQTIBQUCCOB-VIFPVBQESA-N 1 2 365.814 2.150 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cnn(CC(F)F)c3)CC2)cc1 ZINC000816481420 675058302 /nfs/dbraw/zinc/05/83/02/675058302.db2.gz VMNSHEGGQHUEHH-UHFFFAOYSA-N 1 2 351.357 2.379 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000565780629 675151064 /nfs/dbraw/zinc/15/10/64/675151064.db2.gz DMMVSNDNVLDEKG-SGANQWHYSA-N 1 2 362.455 2.309 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+]CCSCCCO)c1cccc([N+](=O)[O-])c1 ZINC000578252832 671651946 /nfs/dbraw/zinc/65/19/46/671651946.db2.gz LMLXWXUKBPQTEO-OAHLLOKOSA-N 1 2 350.444 2.123 20 5 FEBDLO O=C(C[N@@H+]1CCSC[C@@H]1C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000579675538 671752285 /nfs/dbraw/zinc/75/22/85/671752285.db2.gz RJFXCXCSVCTVIN-CYBMUJFWSA-N 1 2 365.411 2.089 20 5 FEBDLO O=C(C[N@H+]1CCSC[C@@H]1C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000579675538 671752287 /nfs/dbraw/zinc/75/22/87/671752287.db2.gz RJFXCXCSVCTVIN-CYBMUJFWSA-N 1 2 365.411 2.089 20 5 FEBDLO C[C@@H]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000119980618 671913929 /nfs/dbraw/zinc/91/39/29/671913929.db2.gz ANEOZQHBGXCOGE-PWSUYJOCSA-N 1 2 356.429 2.125 20 5 FEBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CC(C)C)CC1 ZINC000132339123 672096941 /nfs/dbraw/zinc/09/69/41/672096941.db2.gz CMWUBGAXCQDWRQ-UHFFFAOYSA-N 1 2 359.423 2.005 20 5 FEBDLO COCCOCCN1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000593118179 672878700 /nfs/dbraw/zinc/87/87/00/672878700.db2.gz SMCDFBXYBMXVMA-MRXNPFEDSA-N 1 2 351.447 2.245 20 5 FEBDLO Cn1ccnc1[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595068363 673190544 /nfs/dbraw/zinc/19/05/44/673190544.db2.gz LLHFLBQEGFLISN-KBPBESRZSA-N 1 2 352.341 2.432 20 5 FEBDLO CC(C)[N@H+](Cc1coc(S(N)(=O)=O)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000595296301 673218530 /nfs/dbraw/zinc/21/85/30/673218530.db2.gz ZQNRLTAYWPUZJL-UHFFFAOYSA-N 1 2 353.400 2.246 20 5 FEBDLO CC(C)[N@@H+](Cc1coc(S(N)(=O)=O)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000595296301 673218533 /nfs/dbraw/zinc/21/85/33/673218533.db2.gz ZQNRLTAYWPUZJL-UHFFFAOYSA-N 1 2 353.400 2.246 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000443977512 673225308 /nfs/dbraw/zinc/22/53/08/673225308.db2.gz DDJOEDYKUFDYIO-LLVKDONJSA-N 1 2 368.390 2.036 20 5 FEBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000731987773 673350373 /nfs/dbraw/zinc/35/03/73/673350373.db2.gz RAHHFDFTSCHTRR-VIFPVBQESA-N 1 2 361.370 2.240 20 5 FEBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000731987773 673350376 /nfs/dbraw/zinc/35/03/76/673350376.db2.gz RAHHFDFTSCHTRR-VIFPVBQESA-N 1 2 361.370 2.240 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000596868524 673420964 /nfs/dbraw/zinc/42/09/64/673420964.db2.gz ZZGXOJIEMZXZBA-UONOGXRCSA-N 1 2 350.419 2.442 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000596868524 673420966 /nfs/dbraw/zinc/42/09/66/673420966.db2.gz ZZGXOJIEMZXZBA-UONOGXRCSA-N 1 2 350.419 2.442 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCCCCn2cc[nH+]c2)c(Cl)c1 ZINC000539382803 673486986 /nfs/dbraw/zinc/48/69/86/673486986.db2.gz TURFUQVYNAEWPT-UHFFFAOYSA-N 1 2 358.807 2.203 20 5 FEBDLO CSc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000597709031 673501072 /nfs/dbraw/zinc/50/10/72/673501072.db2.gz GCNGIWQGBMUEFX-CQSZACIVSA-N 1 2 365.455 2.254 20 5 FEBDLO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597707877 673501201 /nfs/dbraw/zinc/50/12/01/673501201.db2.gz UPOOYCUOBNIOOS-LBPRGKRZSA-N 1 2 353.806 2.185 20 5 FEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000598608130 673589516 /nfs/dbraw/zinc/58/95/16/673589516.db2.gz SQWBIVFVBPIGEX-CHWSQXEVSA-N 1 2 355.460 2.315 20 5 FEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000598608130 673589518 /nfs/dbraw/zinc/58/95/18/673589518.db2.gz SQWBIVFVBPIGEX-CHWSQXEVSA-N 1 2 355.460 2.315 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000598650024 673594117 /nfs/dbraw/zinc/59/41/17/673594117.db2.gz XHMRIIQMMHAJQH-ZDUSSCGKSA-N 1 2 351.403 2.025 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC(C)(C)CC[C@H]1CO ZINC000598650024 673594119 /nfs/dbraw/zinc/59/41/19/673594119.db2.gz XHMRIIQMMHAJQH-ZDUSSCGKSA-N 1 2 351.403 2.025 20 5 FEBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000542800055 673606963 /nfs/dbraw/zinc/60/69/63/673606963.db2.gz RXRCCGCDKMWBSQ-UHFFFAOYSA-N 1 2 358.807 2.203 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCc3scnc32)cc1 ZINC000599046621 673630063 /nfs/dbraw/zinc/63/00/63/673630063.db2.gz YQMMJHIMPHZXIX-CYBMUJFWSA-N 1 2 367.452 2.492 20 5 FEBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000546794629 673819667 /nfs/dbraw/zinc/81/96/67/673819667.db2.gz JQDNRQZXRYRIPZ-UHFFFAOYSA-N 1 2 359.367 2.117 20 5 FEBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1c[nH+]cn1C ZINC000547805041 673890041 /nfs/dbraw/zinc/89/00/41/673890041.db2.gz SYINWFRWSLBDJI-SNVBAGLBSA-N 1 2 352.778 2.108 20 5 FEBDLO O=C1C[C@@]2(CC[N@@H+](Cc3cc(Br)c([N+](=O)[O-])s3)C2)CN1 ZINC000602638406 673909222 /nfs/dbraw/zinc/90/92/22/673909222.db2.gz CJAUDBKGDHUXJG-LBPRGKRZSA-N 1 2 360.233 2.131 20 5 FEBDLO O=C1C[C@@]2(CC[N@H+](Cc3cc(Br)c([N+](=O)[O-])s3)C2)CN1 ZINC000602638406 673909224 /nfs/dbraw/zinc/90/92/24/673909224.db2.gz CJAUDBKGDHUXJG-LBPRGKRZSA-N 1 2 360.233 2.131 20 5 FEBDLO CC(C)[C@@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000819904602 675321916 /nfs/dbraw/zinc/32/19/16/675321916.db2.gz AWMOVCXSQXDWGZ-OZVIIMIRSA-N 1 2 350.419 2.249 20 5 FEBDLO CC(C)[C@@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000819904602 675321917 /nfs/dbraw/zinc/32/19/17/675321917.db2.gz AWMOVCXSQXDWGZ-OZVIIMIRSA-N 1 2 350.419 2.249 20 5 FEBDLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000826995213 675721904 /nfs/dbraw/zinc/72/19/04/675721904.db2.gz RMKBOBYTIKKPID-GFCCVEGCSA-N 1 2 357.313 2.223 20 5 FEBDLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000826995213 675721907 /nfs/dbraw/zinc/72/19/07/675721907.db2.gz RMKBOBYTIKKPID-GFCCVEGCSA-N 1 2 357.313 2.223 20 5 FEBDLO C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000830150772 677027712 /nfs/dbraw/zinc/02/77/12/677027712.db2.gz NFVIVXVSIWNVHQ-MRVPVSSYSA-N 1 2 368.242 2.274 20 5 FEBDLO C[N@H+]1CCC[C@@H](NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000830150772 677027713 /nfs/dbraw/zinc/02/77/13/677027713.db2.gz NFVIVXVSIWNVHQ-MRVPVSSYSA-N 1 2 368.242 2.274 20 5 FEBDLO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC(n2cc[nH+]c2)C1 ZINC000760835961 680702666 /nfs/dbraw/zinc/70/26/66/680702666.db2.gz DPNUVTKQIOTIKD-UHFFFAOYSA-N 1 2 351.160 2.251 20 5 FEBDLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)nn1 ZINC000760869242 680704067 /nfs/dbraw/zinc/70/40/67/680704067.db2.gz MYGILECUIORDKM-LBPRGKRZSA-N 1 2 365.777 2.073 20 5 FEBDLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)nn1 ZINC000760869242 680704069 /nfs/dbraw/zinc/70/40/69/680704069.db2.gz MYGILECUIORDKM-LBPRGKRZSA-N 1 2 365.777 2.073 20 5 FEBDLO Nc1c(OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc(Br)cc1[N+](=O)[O-] ZINC000842050626 680923695 /nfs/dbraw/zinc/92/36/95/680923695.db2.gz RMVYOQIXEKEHNL-PHIMTYICSA-N 1 2 372.219 2.182 20 5 FEBDLO Nc1c(OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc(Br)cc1[N+](=O)[O-] ZINC000842050626 680923696 /nfs/dbraw/zinc/92/36/96/680923696.db2.gz RMVYOQIXEKEHNL-PHIMTYICSA-N 1 2 372.219 2.182 20 5 FEBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000874707578 685449888 /nfs/dbraw/zinc/44/98/88/685449888.db2.gz BZCQUXSAVUIJDJ-LBPRGKRZSA-N 1 2 355.822 2.397 20 5 FEBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000874707578 685449891 /nfs/dbraw/zinc/44/98/91/685449891.db2.gz BZCQUXSAVUIJDJ-LBPRGKRZSA-N 1 2 355.822 2.397 20 5 FEBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000874705939 685450147 /nfs/dbraw/zinc/45/01/47/685450147.db2.gz INAKWZQHWONOSI-LBPRGKRZSA-N 1 2 373.812 2.157 20 5 FEBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000874705939 685450152 /nfs/dbraw/zinc/45/01/52/685450152.db2.gz INAKWZQHWONOSI-LBPRGKRZSA-N 1 2 373.812 2.157 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000779921482 681771860 /nfs/dbraw/zinc/77/18/60/681771860.db2.gz TUFNIPINWYFGCE-QWRGUYRKSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000779921482 681771864 /nfs/dbraw/zinc/77/18/64/681771864.db2.gz TUFNIPINWYFGCE-QWRGUYRKSA-N 1 2 361.851 2.270 20 5 FEBDLO Cn1nc(Br)cc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000787291672 682448281 /nfs/dbraw/zinc/44/82/81/682448281.db2.gz VQBNARQHFACHJZ-UHFFFAOYSA-N 1 2 365.191 2.257 20 5 FEBDLO O=C(Cc1[nH]cc[nH+]1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000854390313 682544766 /nfs/dbraw/zinc/54/47/66/682544766.db2.gz CVSVXMLVMYNBSQ-UHFFFAOYSA-N 1 2 365.187 2.208 20 5 FEBDLO Cc1cc(Cl)c(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000854725927 682586267 /nfs/dbraw/zinc/58/62/67/682586267.db2.gz CMHCPRNJZFNQRX-CYBMUJFWSA-N 1 2 367.833 2.493 20 5 FEBDLO CN(C(=O)c1cccc([N+](=O)[O-])c1Cl)C(C)(C)C[NH+]1CCOCC1 ZINC000862003983 683513631 /nfs/dbraw/zinc/51/36/31/683513631.db2.gz JBLASDYERUJQRZ-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000931172408 683845789 /nfs/dbraw/zinc/84/57/89/683845789.db2.gz BNMUODOJEGBRJC-CQSZACIVSA-N 1 2 373.203 2.121 20 5 FEBDLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000931172408 683845796 /nfs/dbraw/zinc/84/57/96/683845796.db2.gz BNMUODOJEGBRJC-CQSZACIVSA-N 1 2 373.203 2.121 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000932051429 684398157 /nfs/dbraw/zinc/39/81/57/684398157.db2.gz GIFFFLYGRSZJHT-VXGBXAGGSA-N 1 2 353.444 2.156 20 5 FEBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000875459194 686016490 /nfs/dbraw/zinc/01/64/90/686016490.db2.gz SOWFDMGAUXDSSO-ZIAGYGMSSA-N 1 2 350.419 2.066 20 5 FEBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000875459194 686016497 /nfs/dbraw/zinc/01/64/97/686016497.db2.gz SOWFDMGAUXDSSO-ZIAGYGMSSA-N 1 2 350.419 2.066 20 5 FEBDLO CN(C[C@@H](O)C[N@H+](C)Cc1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000879082620 686733862 /nfs/dbraw/zinc/73/38/62/686733862.db2.gz FDPWZBYLXPTQSR-LBPRGKRZSA-N 1 2 359.448 2.316 20 5 FEBDLO CN(C[C@@H](O)C[N@@H+](C)Cc1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000879082620 686733865 /nfs/dbraw/zinc/73/38/65/686733865.db2.gz FDPWZBYLXPTQSR-LBPRGKRZSA-N 1 2 359.448 2.316 20 5 FEBDLO C[NH+](C)Cc1csc(CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])n1 ZINC000906199332 691241257 /nfs/dbraw/zinc/24/12/57/691241257.db2.gz HRKYTXDDLUDAJK-UHFFFAOYSA-N 1 2 356.354 2.321 20 5 FEBDLO O=C(NCC1(Br)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000910196718 691899360 /nfs/dbraw/zinc/89/93/60/691899360.db2.gz VSOZGOASHVBRAX-UHFFFAOYSA-N 1 2 365.187 2.438 20 5 FEBDLO O=C(CN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)NCc1ccccc1 ZINC000010096135 539512794 /nfs/dbraw/zinc/51/27/94/539512794.db2.gz DIMMECFVLKDITO-UHFFFAOYSA-N 1 2 368.437 2.029 20 5 FEBDLO O=C(C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)NCc1ccccc1 ZINC000010096135 539512799 /nfs/dbraw/zinc/51/27/99/539512799.db2.gz DIMMECFVLKDITO-UHFFFAOYSA-N 1 2 368.437 2.029 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1[nH+]cnc2c1cnn2C ZINC000011676741 539532227 /nfs/dbraw/zinc/53/22/27/539532227.db2.gz HFGNVJVYQGIJJO-UHFFFAOYSA-N 1 2 374.382 2.011 20 5 FEBDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000024740381 539739942 /nfs/dbraw/zinc/73/99/42/539739942.db2.gz VHYVJFZBAKQSRI-UHFFFAOYSA-N 1 2 357.370 2.148 20 5 FEBDLO O=C(COc1ccccc1[N+](=O)[O-])NCc1cc[nH+]c(N2CCCC2)c1 ZINC000026000397 539775239 /nfs/dbraw/zinc/77/52/39/539775239.db2.gz PWFLGJINYNRQKY-UHFFFAOYSA-N 1 2 356.382 2.285 20 5 FEBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC(=O)N(CCc2ccccc2)C1=O ZINC000027051954 539800135 /nfs/dbraw/zinc/80/01/35/539800135.db2.gz MOBXFWOLOYEWCR-SFHVURJKSA-N 1 2 367.405 2.397 20 5 FEBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC(=O)N(CCc2ccccc2)C1=O ZINC000027051954 539800140 /nfs/dbraw/zinc/80/01/40/539800140.db2.gz MOBXFWOLOYEWCR-SFHVURJKSA-N 1 2 367.405 2.397 20 5 FEBDLO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000030700121 539889881 /nfs/dbraw/zinc/88/98/81/539889881.db2.gz SYZUPAVCLPCNJR-IBGZPJMESA-N 1 2 369.421 2.327 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000032248087 539931306 /nfs/dbraw/zinc/93/13/06/539931306.db2.gz GBGNGFZDOBSCIJ-LJQANCHMSA-N 1 2 369.421 2.155 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000032248087 539931309 /nfs/dbraw/zinc/93/13/09/539931309.db2.gz GBGNGFZDOBSCIJ-LJQANCHMSA-N 1 2 369.421 2.155 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1cnn(C)c1 ZINC000032539687 539942554 /nfs/dbraw/zinc/94/25/54/539942554.db2.gz DROFMOVGKDPJKP-JTQLQIEISA-N 1 2 351.794 2.441 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1cnn(C)c1 ZINC000032539687 539942557 /nfs/dbraw/zinc/94/25/57/539942557.db2.gz DROFMOVGKDPJKP-JTQLQIEISA-N 1 2 351.794 2.441 20 5 FEBDLO CCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000042685846 540074053 /nfs/dbraw/zinc/07/40/53/540074053.db2.gz LQUHLISUGOFZEG-ZDUSSCGKSA-N 1 2 362.430 2.160 20 5 FEBDLO Cc1ccc(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)cc1[N+](=O)[O-] ZINC000046717974 540267790 /nfs/dbraw/zinc/26/77/90/540267790.db2.gz JMQDWKDQVROFHE-CQSZACIVSA-N 1 2 370.409 2.453 20 5 FEBDLO CN(C)c1ncccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000049727245 540392362 /nfs/dbraw/zinc/39/23/62/540392362.db2.gz XWTLHCHYTXQDRF-UHFFFAOYSA-N 1 2 352.354 2.494 20 5 FEBDLO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[NH+](Cc2ccccn2)CC1 ZINC000053195083 540517174 /nfs/dbraw/zinc/51/71/74/540517174.db2.gz XUJMDDNEVJLRDV-UHFFFAOYSA-N 1 2 365.393 2.429 20 5 FEBDLO COc1cccc([C@H](NC(=O)c2ccc([N+](=O)[O-])o2)c2[nH+]ccn2C)c1 ZINC000053340543 540527357 /nfs/dbraw/zinc/52/73/57/540527357.db2.gz AOLYTQPJPGQVKB-HNNXBMFYSA-N 1 2 356.338 2.449 20 5 FEBDLO CCCNC(=O)C[N@H+](CCC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000053366426 540529572 /nfs/dbraw/zinc/52/95/72/540529572.db2.gz RBPBOGRMFGSPFI-UHFFFAOYSA-N 1 2 350.419 2.080 20 5 FEBDLO CCCNC(=O)C[N@@H+](CCC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000053366426 540529575 /nfs/dbraw/zinc/52/95/75/540529575.db2.gz RBPBOGRMFGSPFI-UHFFFAOYSA-N 1 2 350.419 2.080 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000058393207 540840985 /nfs/dbraw/zinc/84/09/85/540840985.db2.gz FNLBXLZSXWAYPX-CYBMUJFWSA-N 1 2 365.455 2.254 20 5 FEBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000060391687 541109774 /nfs/dbraw/zinc/10/97/74/541109774.db2.gz IJZYCTYISUWWKH-ZDUSSCGKSA-N 1 2 353.806 2.185 20 5 FEBDLO CN(C)c1[nH+]cccc1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065867060 541267965 /nfs/dbraw/zinc/26/79/65/541267965.db2.gz UAFGTKFIPKQVES-UHFFFAOYSA-N 1 2 353.382 2.327 20 5 FEBDLO Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000068155382 541556065 /nfs/dbraw/zinc/55/60/65/541556065.db2.gz MXBWEVXAGIDGEM-LLVKDONJSA-N 1 2 354.370 2.313 20 5 FEBDLO CS(=O)(=O)CC[NH+]1CCC(Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000068766524 541625855 /nfs/dbraw/zinc/62/58/55/541625855.db2.gz HJZAKSFJMOSUJC-UHFFFAOYSA-N 1 2 361.851 2.169 20 5 FEBDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000073359307 541947020 /nfs/dbraw/zinc/94/70/20/541947020.db2.gz SZZWRVCPLVCVEH-UHFFFAOYSA-N 1 2 357.370 2.148 20 5 FEBDLO COc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000076907802 542328625 /nfs/dbraw/zinc/32/86/25/542328625.db2.gz ARODNDKUMAJGOC-OAHLLOKOSA-N 1 2 359.382 2.477 20 5 FEBDLO COc1ccc(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000076907802 542328627 /nfs/dbraw/zinc/32/86/27/542328627.db2.gz ARODNDKUMAJGOC-OAHLLOKOSA-N 1 2 359.382 2.477 20 5 FEBDLO CCn1nc(C)c(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000093608079 542935180 /nfs/dbraw/zinc/93/51/80/542935180.db2.gz AJUFEQYUYBFWLQ-UHFFFAOYSA-N 1 2 371.441 2.386 20 5 FEBDLO COc1cc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000093611846 542936226 /nfs/dbraw/zinc/93/62/26/542936226.db2.gz JFTJRWYVNFKCKN-CYBMUJFWSA-N 1 2 350.293 2.111 20 5 FEBDLO COc1cc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000093611846 542936229 /nfs/dbraw/zinc/93/62/29/542936229.db2.gz JFTJRWYVNFKCKN-CYBMUJFWSA-N 1 2 350.293 2.111 20 5 FEBDLO CCCCC[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000096970397 543001026 /nfs/dbraw/zinc/00/10/26/543001026.db2.gz VTAXBWIUKXUUPA-UHFFFAOYSA-N 1 2 355.460 2.400 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000101923029 543049973 /nfs/dbraw/zinc/04/99/73/543049973.db2.gz NTSSKPJQSLPSNT-UHFFFAOYSA-N 1 2 370.818 2.471 20 5 FEBDLO COc1ccccc1C[N@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000103144167 543094943 /nfs/dbraw/zinc/09/49/43/543094943.db2.gz XIGFYAPUMPQVBT-UHFFFAOYSA-N 1 2 359.382 2.036 20 5 FEBDLO COc1ccccc1C[N@@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000103144167 543094945 /nfs/dbraw/zinc/09/49/45/543094945.db2.gz XIGFYAPUMPQVBT-UHFFFAOYSA-N 1 2 359.382 2.036 20 5 FEBDLO Cc1cccc(CNC(=O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000111201965 543385368 /nfs/dbraw/zinc/38/53/68/543385368.db2.gz WOTMPFRFICAGMF-UHFFFAOYSA-N 1 2 368.437 2.342 20 5 FEBDLO CN(c1ccccc1)c1ccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000126188680 543922979 /nfs/dbraw/zinc/92/29/79/543922979.db2.gz WRDJRJYIYKFXQU-GOSISDBHSA-N 1 2 370.409 2.049 20 5 FEBDLO CN(c1ccccc1)c1ccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000126188680 543922981 /nfs/dbraw/zinc/92/29/81/543922981.db2.gz WRDJRJYIYKFXQU-GOSISDBHSA-N 1 2 370.409 2.049 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)N(C)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000134537397 544311872 /nfs/dbraw/zinc/31/18/72/544311872.db2.gz ZAOVUUANCKKMGD-UHFFFAOYSA-N 1 2 372.834 2.464 20 5 FEBDLO COc1cc(OC)cc([C@@H](Nc2c([N+](=O)[O-])ncn2C)c2[nH+]ccn2C)c1 ZINC000139591123 544403507 /nfs/dbraw/zinc/40/35/07/544403507.db2.gz MCDGMTSBRXFXCV-CQSZACIVSA-N 1 2 372.385 2.281 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000153067544 544728755 /nfs/dbraw/zinc/72/87/55/544728755.db2.gz ABSSGGTUTQLOBS-CQSZACIVSA-N 1 2 374.441 2.399 20 5 FEBDLO C[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000153416945 544773201 /nfs/dbraw/zinc/77/32/01/544773201.db2.gz WNHJULFQRIQSOQ-CQSZACIVSA-N 1 2 357.414 2.458 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCN(c4cccnn4)CC3)co2)cc1 ZINC000153446008 544777005 /nfs/dbraw/zinc/77/70/05/544777005.db2.gz UDNYYWMVGNSDTA-UHFFFAOYSA-N 1 2 366.381 2.362 20 5 FEBDLO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000154098699 544864217 /nfs/dbraw/zinc/86/42/17/544864217.db2.gz JWQDLFQQXGBLJL-CQSZACIVSA-N 1 2 355.460 2.232 20 5 FEBDLO CC(C)c1ccc(C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000154098699 544864220 /nfs/dbraw/zinc/86/42/20/544864220.db2.gz JWQDLFQQXGBLJL-CQSZACIVSA-N 1 2 355.460 2.232 20 5 FEBDLO O=C(Nc1nccs1)[C@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154540032 544918562 /nfs/dbraw/zinc/91/85/62/544918562.db2.gz MKFFVSYVDPRYJS-KGLIPLIRSA-N 1 2 362.411 2.188 20 5 FEBDLO O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154540032 544918565 /nfs/dbraw/zinc/91/85/65/544918565.db2.gz MKFFVSYVDPRYJS-KGLIPLIRSA-N 1 2 362.411 2.188 20 5 FEBDLO CCOC(=O)[C@@H](C)N(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000189382631 328144399 /nfs/dbraw/zinc/14/43/99/328144399.db2.gz HDFFLYURWQJYBY-GFCCVEGCSA-N 1 2 372.381 2.337 20 5 FEBDLO Cc1cccc(OC[C@H](O)C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000189462976 328149773 /nfs/dbraw/zinc/14/97/73/328149773.db2.gz ZCSXCQJGPQDLJV-MRXNPFEDSA-N 1 2 358.394 2.406 20 5 FEBDLO CCN(C[C@@H](O)C(F)(F)F)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000189808148 328169226 /nfs/dbraw/zinc/16/92/26/328169226.db2.gz XPPBLAHZJIHRHA-CYBMUJFWSA-N 1 2 372.303 2.166 20 5 FEBDLO CCN1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000190189138 328193508 /nfs/dbraw/zinc/19/35/08/328193508.db2.gz YWQZLTIPNBMGGF-GFCCVEGCSA-N 1 2 359.386 2.260 20 5 FEBDLO CCN1CCC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000190189138 328193509 /nfs/dbraw/zinc/19/35/09/328193509.db2.gz YWQZLTIPNBMGGF-GFCCVEGCSA-N 1 2 359.386 2.260 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)n1 ZINC000191478416 328267696 /nfs/dbraw/zinc/26/76/96/328267696.db2.gz CMLIKZHVLBROPL-CQSZACIVSA-N 1 2 372.360 2.203 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC000191545814 328270717 /nfs/dbraw/zinc/27/07/17/328270717.db2.gz CVWKEUWWWMJZGN-UHFFFAOYSA-N 1 2 358.402 2.127 20 5 FEBDLO O=C(Cc1cn2ccccc2[nH+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000192522346 328323594 /nfs/dbraw/zinc/32/35/94/328323594.db2.gz OASIZIVRPZZKPD-UHFFFAOYSA-N 1 2 365.393 2.134 20 5 FEBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1nnc2ccccn21 ZINC000192485528 328321849 /nfs/dbraw/zinc/32/18/49/328321849.db2.gz RLPXGJQZHWFSCX-LLVKDONJSA-N 1 2 355.354 2.355 20 5 FEBDLO COc1cccc(OCC[NH+]2CCN(c3ncc([N+](=O)[O-])s3)CC2)c1 ZINC000192495756 328322275 /nfs/dbraw/zinc/32/22/75/328322275.db2.gz HSUOZFPMGIAIID-UHFFFAOYSA-N 1 2 364.427 2.261 20 5 FEBDLO CCN(CC)c1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000193896958 328400829 /nfs/dbraw/zinc/40/08/29/328400829.db2.gz OAIAFFHHGNMKSH-UHFFFAOYSA-N 1 2 364.427 2.315 20 5 FEBDLO Cc1nn(C)c(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000194080312 328410274 /nfs/dbraw/zinc/41/02/74/328410274.db2.gz FEKCDUMOMPTNDS-RMKNXTFCSA-N 1 2 369.425 2.108 20 5 FEBDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000023057653 324403431 /nfs/dbraw/zinc/40/34/31/324403431.db2.gz ILILGXHYVQTBGP-MRXNPFEDSA-N 1 2 360.458 2.113 20 5 FEBDLO O=[N+]([O-])c1cnc(NCc2ccccc2OCC[NH+]2CCOCC2)s1 ZINC000195511364 328481254 /nfs/dbraw/zinc/48/12/54/328481254.db2.gz MVSVMIVLIQTESR-UHFFFAOYSA-N 1 2 364.427 2.374 20 5 FEBDLO Cc1cc(C[NH+]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)on1 ZINC000083132655 325213471 /nfs/dbraw/zinc/21/34/71/325213471.db2.gz MPVFJHUBCKEKJK-UHFFFAOYSA-N 1 2 357.370 2.350 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H](O)c2ccccc2F)CC1 ZINC000119834822 326203368 /nfs/dbraw/zinc/20/33/68/326203368.db2.gz FASUCFFDPKAMAR-SFHVURJKSA-N 1 2 373.384 2.225 20 5 FEBDLO Cc1cc[nH+]c(N2CCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000120052219 326226031 /nfs/dbraw/zinc/22/60/31/326226031.db2.gz GJSONAVFFCWBHQ-HNNXBMFYSA-N 1 2 369.425 2.447 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC1CCN(c2cccc[nH+]2)CC1 ZINC000131434491 326574664 /nfs/dbraw/zinc/57/46/64/326574664.db2.gz XEVXAAYBTAKTCI-UHFFFAOYSA-N 1 2 358.373 2.457 20 5 FEBDLO CN(CCCn1cc[nH+]c1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000133041157 326602217 /nfs/dbraw/zinc/60/22/17/326602217.db2.gz KAGKVSFJSYUCSM-UHFFFAOYSA-N 1 2 368.397 2.282 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151153649 326675928 /nfs/dbraw/zinc/67/59/28/326675928.db2.gz KZNHRLULBXDSNL-CQSZACIVSA-N 1 2 363.395 2.140 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCOC)c1cc[nH+]cc1 ZINC000152004581 326696666 /nfs/dbraw/zinc/69/66/66/326696666.db2.gz GIIHWHKCIZYCIQ-UHFFFAOYSA-N 1 2 365.411 2.394 20 5 FEBDLO Cc1nc(CN2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000153712826 326740676 /nfs/dbraw/zinc/74/06/76/326740676.db2.gz BQGFTFALUVHBAM-KRWDZBQOSA-N 1 2 362.455 2.211 20 5 FEBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3c([N+](=O)[O-])cnn3C)n2)C1 ZINC000163499703 327052813 /nfs/dbraw/zinc/05/28/13/327052813.db2.gz YDLIWWYGWZKHRY-JTQLQIEISA-N 1 2 364.431 2.269 20 5 FEBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3c([N+](=O)[O-])cnn3C)n2)C1 ZINC000163499703 327052814 /nfs/dbraw/zinc/05/28/14/327052814.db2.gz YDLIWWYGWZKHRY-JTQLQIEISA-N 1 2 364.431 2.269 20 5 FEBDLO CCc1[nH]nc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000171677450 327154536 /nfs/dbraw/zinc/15/45/36/327154536.db2.gz HNGGMJNXYXKZDY-UHFFFAOYSA-N 1 2 370.369 2.408 20 5 FEBDLO COc1cc(CCNC(=O)c2ccc3[nH+]ccn3c2)c([N+](=O)[O-])cc1OC ZINC000171913661 327169904 /nfs/dbraw/zinc/16/99/04/327169904.db2.gz MPQMBBGJKKBBIL-UHFFFAOYSA-N 1 2 370.365 2.232 20 5 FEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000172710835 327215067 /nfs/dbraw/zinc/21/50/67/327215067.db2.gz FBXPADNAOOTXRI-IBGZPJMESA-N 1 2 369.421 2.327 20 5 FEBDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000174356370 327321719 /nfs/dbraw/zinc/32/17/19/327321719.db2.gz UKUMXGFQGDNZBT-GFCCVEGCSA-N 1 2 354.794 2.233 20 5 FEBDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000174356370 327321720 /nfs/dbraw/zinc/32/17/20/327321720.db2.gz UKUMXGFQGDNZBT-GFCCVEGCSA-N 1 2 354.794 2.233 20 5 FEBDLO Nc1c(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cccc1[N+](=O)[O-] ZINC000178178761 327570528 /nfs/dbraw/zinc/57/05/28/327570528.db2.gz LPEYWQSGPXFQCS-UHFFFAOYSA-N 1 2 355.329 2.432 20 5 FEBDLO COc1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc([N+](=O)[O-])c1OC ZINC000265928186 329173566 /nfs/dbraw/zinc/17/35/66/329173566.db2.gz FIMBCMQCLLDFSN-UHFFFAOYSA-N 1 2 360.370 2.286 20 5 FEBDLO CCc1cc(NC[C@H]2CC[C@H](C(N)=O)O2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000268317462 329407769 /nfs/dbraw/zinc/40/77/69/329407769.db2.gz LYYUZMOFSJPSIG-HUUCEWRRSA-N 1 2 371.397 2.059 20 5 FEBDLO C[C@@H](NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000275303035 330032705 /nfs/dbraw/zinc/03/27/05/330032705.db2.gz BYQLREMZTPFOHU-CZUORRHYSA-N 1 2 372.429 2.088 20 5 FEBDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000275584311 330066741 /nfs/dbraw/zinc/06/67/41/330066741.db2.gz FWRYQPQCWHAHEW-JZLODUJNSA-N 1 2 367.409 2.131 20 5 FEBDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000275584311 330066743 /nfs/dbraw/zinc/06/67/43/330066743.db2.gz FWRYQPQCWHAHEW-JZLODUJNSA-N 1 2 367.409 2.131 20 5 FEBDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000276332717 330141734 /nfs/dbraw/zinc/14/17/34/330141734.db2.gz GWETWKIGFHYHRY-IJDCCNJMSA-N 1 2 359.426 2.177 20 5 FEBDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000276332717 330141736 /nfs/dbraw/zinc/14/17/36/330141736.db2.gz GWETWKIGFHYHRY-IJDCCNJMSA-N 1 2 359.426 2.177 20 5 FEBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000805477841 674339301 /nfs/dbraw/zinc/33/93/01/674339301.db2.gz ABGUTXRPLTYDFJ-MRXNPFEDSA-N 1 2 352.387 2.146 20 5 FEBDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000805477841 674339302 /nfs/dbraw/zinc/33/93/02/674339302.db2.gz ABGUTXRPLTYDFJ-MRXNPFEDSA-N 1 2 352.387 2.146 20 5 FEBDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000805477835 674339311 /nfs/dbraw/zinc/33/93/11/674339311.db2.gz ABGUTXRPLTYDFJ-INIZCTEOSA-N 1 2 352.387 2.146 20 5 FEBDLO CC[N@H+]1CCO[C@H](C(=O)OCc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000805477835 674339312 /nfs/dbraw/zinc/33/93/12/674339312.db2.gz ABGUTXRPLTYDFJ-INIZCTEOSA-N 1 2 352.387 2.146 20 5 FEBDLO C[C@@H](NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000271688271 518177938 /nfs/dbraw/zinc/17/79/38/518177938.db2.gz LHNZTVNMNLXDMH-RDBSUJKOSA-N 1 2 350.419 2.064 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](OCC)C2)c([N+](=O)[O-])c1 ZINC000156116312 545600314 /nfs/dbraw/zinc/60/03/14/545600314.db2.gz DVMSJSISXOVXIW-CQSZACIVSA-N 1 2 351.403 2.433 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](OCC)C2)c([N+](=O)[O-])c1 ZINC000156116312 545600318 /nfs/dbraw/zinc/60/03/18/545600318.db2.gz DVMSJSISXOVXIW-CQSZACIVSA-N 1 2 351.403 2.433 20 5 FEBDLO COc1ccc(CS(=O)(=O)Cc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000480530742 561211264 /nfs/dbraw/zinc/21/12/64/561211264.db2.gz RAKSGLRDFKTWDW-UHFFFAOYSA-N 1 2 361.379 2.366 20 5 FEBDLO COC(=O)[C@]1(C)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000177452863 546621436 /nfs/dbraw/zinc/62/14/36/546621436.db2.gz IJPNBIDPKFAHQY-OAHLLOKOSA-N 1 2 355.778 2.072 20 5 FEBDLO COC(=O)[C@]1(C)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000177452863 546621440 /nfs/dbraw/zinc/62/14/40/546621440.db2.gz IJPNBIDPKFAHQY-OAHLLOKOSA-N 1 2 355.778 2.072 20 5 FEBDLO O=C(NCc1cn2ccccc2[nH+]1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000481111204 561225505 /nfs/dbraw/zinc/22/55/05/561225505.db2.gz XXCSHMHIFQGGAW-UHFFFAOYSA-N 1 2 362.349 2.358 20 5 FEBDLO CCOC(=O)c1cc(C(=O)NCc2ccn3cc[nH+]c3c2)cc([N+](=O)[O-])c1 ZINC000178060839 546732826 /nfs/dbraw/zinc/73/28/26/546732826.db2.gz IGDBSDCUWWYXCA-UHFFFAOYSA-N 1 2 368.349 2.349 20 5 FEBDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000178399457 546787207 /nfs/dbraw/zinc/78/72/07/546787207.db2.gz MOSDVYXYPCPCSI-UHFFFAOYSA-N 1 2 351.384 2.140 20 5 FEBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H](C)O1 ZINC000481537292 561235530 /nfs/dbraw/zinc/23/55/30/561235530.db2.gz FWBPDWYVAFCMCB-CHWSQXEVSA-N 1 2 373.413 2.190 20 5 FEBDLO COCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)CC1 ZINC000181343200 547297600 /nfs/dbraw/zinc/29/76/00/547297600.db2.gz NJOFAULKUXYJSC-UHFFFAOYSA-N 1 2 367.471 2.500 20 5 FEBDLO C[N@@H+](Cc1nccn1C(F)F)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181546070 547332838 /nfs/dbraw/zinc/33/28/38/547332838.db2.gz XMSZRMDSZSBHGJ-LLVKDONJSA-N 1 2 356.329 2.058 20 5 FEBDLO C[N@H+](Cc1nccn1C(F)F)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181546070 547332842 /nfs/dbraw/zinc/33/28/42/547332842.db2.gz XMSZRMDSZSBHGJ-LLVKDONJSA-N 1 2 356.329 2.058 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000182472803 547499510 /nfs/dbraw/zinc/49/95/10/547499510.db2.gz HSMCAPJDWXURBG-ZWKOTPCHSA-N 1 2 372.421 2.278 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000182472803 547499514 /nfs/dbraw/zinc/49/95/14/547499514.db2.gz HSMCAPJDWXURBG-ZWKOTPCHSA-N 1 2 372.421 2.278 20 5 FEBDLO CC[C@H](C)[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(=O)OC ZINC000183700743 547703400 /nfs/dbraw/zinc/70/34/00/547703400.db2.gz UQVGJEVXGZVHQL-ZBEGNZNMSA-N 1 2 351.403 2.409 20 5 FEBDLO COc1cc(C[NH+]2CCC(N3CCCC3=O)CC2)c([N+](=O)[O-])cc1F ZINC000184201117 547785872 /nfs/dbraw/zinc/78/58/72/547785872.db2.gz TYMDNUQWZWZLIB-UHFFFAOYSA-N 1 2 351.378 2.329 20 5 FEBDLO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000185136029 547938901 /nfs/dbraw/zinc/93/89/01/547938901.db2.gz LBKVEHBQUWUYLU-WCQYABFASA-N 1 2 364.402 2.366 20 5 FEBDLO CCc1n[nH]c(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1[N+](=O)[O-] ZINC000185488829 547991891 /nfs/dbraw/zinc/99/18/91/547991891.db2.gz UUVRWKABMOQXQR-LLVKDONJSA-N 1 2 363.443 2.461 20 5 FEBDLO CCc1[nH]nc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1[N+](=O)[O-] ZINC000185488829 547991892 /nfs/dbraw/zinc/99/18/92/547991892.db2.gz UUVRWKABMOQXQR-LLVKDONJSA-N 1 2 363.443 2.461 20 5 FEBDLO C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000185958409 548065315 /nfs/dbraw/zinc/06/53/15/548065315.db2.gz DSEUSTJBVRNLPQ-WFASDCNBSA-N 1 2 350.400 2.063 20 5 FEBDLO CC[C@H]1C[N@H+](CCNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCO1 ZINC000486000618 561334779 /nfs/dbraw/zinc/33/47/79/561334779.db2.gz ILJOEHJTTQVPMU-HNNXBMFYSA-N 1 2 362.430 2.010 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCO1 ZINC000486000618 561334780 /nfs/dbraw/zinc/33/47/80/561334780.db2.gz ILJOEHJTTQVPMU-HNNXBMFYSA-N 1 2 362.430 2.010 20 5 FEBDLO Cc1ccsc1CNC(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000194277498 548458959 /nfs/dbraw/zinc/45/89/59/548458959.db2.gz ARPTYZISZKLWBX-UHFFFAOYSA-N 1 2 374.466 2.403 20 5 FEBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000194720464 548520422 /nfs/dbraw/zinc/52/04/22/548520422.db2.gz WPHHPODQAAUKHZ-TXEJJXNPSA-N 1 2 355.822 2.429 20 5 FEBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000194720464 548520424 /nfs/dbraw/zinc/52/04/24/548520424.db2.gz WPHHPODQAAUKHZ-TXEJJXNPSA-N 1 2 355.822 2.429 20 5 FEBDLO COCCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000245872117 549007545 /nfs/dbraw/zinc/00/75/45/549007545.db2.gz MDXOINPYTWZCPJ-XJKSGUPXSA-N 1 2 351.403 2.049 20 5 FEBDLO COCCO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000245872117 549007548 /nfs/dbraw/zinc/00/75/48/549007548.db2.gz MDXOINPYTWZCPJ-XJKSGUPXSA-N 1 2 351.403 2.049 20 5 FEBDLO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H]1C ZINC000246936856 549245466 /nfs/dbraw/zinc/24/54/66/549245466.db2.gz ZSPHHNYWKBLBCP-NEPJUHHUSA-N 1 2 363.439 2.337 20 5 FEBDLO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H]1C ZINC000246936856 549245469 /nfs/dbraw/zinc/24/54/69/549245469.db2.gz ZSPHHNYWKBLBCP-NEPJUHHUSA-N 1 2 363.439 2.337 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000249079392 549547603 /nfs/dbraw/zinc/54/76/03/549547603.db2.gz MJFWPKOYKGGDJB-FPMFFAJLSA-N 1 2 363.414 2.361 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000249079392 549547610 /nfs/dbraw/zinc/54/76/10/549547610.db2.gz MJFWPKOYKGGDJB-FPMFFAJLSA-N 1 2 363.414 2.361 20 5 FEBDLO Cc1noc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000249706357 549617513 /nfs/dbraw/zinc/61/75/13/549617513.db2.gz OCPTYGCEFOYYIL-DGCLKSJQSA-N 1 2 359.386 2.493 20 5 FEBDLO Cc1noc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000249706357 549617516 /nfs/dbraw/zinc/61/75/16/549617516.db2.gz OCPTYGCEFOYYIL-DGCLKSJQSA-N 1 2 359.386 2.493 20 5 FEBDLO COC(=O)c1cc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc([N+](=O)[O-])c1 ZINC000489906153 561422099 /nfs/dbraw/zinc/42/20/99/561422099.db2.gz KHGYIFLSGSIAEQ-UHFFFAOYSA-N 1 2 367.321 2.214 20 5 FEBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000269251002 550172470 /nfs/dbraw/zinc/17/24/70/550172470.db2.gz BQCIODPMWBVQKT-UHFFFAOYSA-N 1 2 372.381 2.152 20 5 FEBDLO COc1cc(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492957695 561453646 /nfs/dbraw/zinc/45/36/46/561453646.db2.gz XAIFSGUXYHHRAX-HNNXBMFYSA-N 1 2 364.423 2.479 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCc3cc[nH]c(=O)c3C2)cccc1[N+](=O)[O-] ZINC000276931211 550612336 /nfs/dbraw/zinc/61/23/36/550612336.db2.gz MJYLRKNMBHWKCU-GFCCVEGCSA-N 1 2 356.382 2.389 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCc3cc[nH]c(=O)c3C2)cccc1[N+](=O)[O-] ZINC000276931211 550612338 /nfs/dbraw/zinc/61/23/38/550612338.db2.gz MJYLRKNMBHWKCU-GFCCVEGCSA-N 1 2 356.382 2.389 20 5 FEBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000278739852 550816597 /nfs/dbraw/zinc/81/65/97/550816597.db2.gz QWOFUUSMTZOMPL-UHFFFAOYSA-N 1 2 370.409 2.407 20 5 FEBDLO CSc1ccc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000279292182 550874458 /nfs/dbraw/zinc/87/44/58/550874458.db2.gz LQPZYAJIEZNJQF-GFCCVEGCSA-N 1 2 353.444 2.109 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000279698115 550918430 /nfs/dbraw/zinc/91/84/30/550918430.db2.gz GSWFFTJXSWJQHJ-MMQJMDILSA-N 1 2 363.414 2.190 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000279698115 550918433 /nfs/dbraw/zinc/91/84/33/550918433.db2.gz GSWFFTJXSWJQHJ-MMQJMDILSA-N 1 2 363.414 2.190 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279714825 550920554 /nfs/dbraw/zinc/92/05/54/550920554.db2.gz OOAMQSVBERCYPI-UHFFFAOYSA-N 1 2 371.397 2.248 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000279744422 550924107 /nfs/dbraw/zinc/92/41/07/550924107.db2.gz KUWUNSURPMUCEB-MMQJMDILSA-N 1 2 363.414 2.190 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000279744422 550924108 /nfs/dbraw/zinc/92/41/08/550924108.db2.gz KUWUNSURPMUCEB-MMQJMDILSA-N 1 2 363.414 2.190 20 5 FEBDLO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000495475727 561488897 /nfs/dbraw/zinc/48/88/97/561488897.db2.gz KYBYLJMEYLWNAF-KRWDZBQOSA-N 1 2 357.410 2.405 20 5 FEBDLO Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000495475727 561488898 /nfs/dbraw/zinc/48/88/98/561488898.db2.gz KYBYLJMEYLWNAF-KRWDZBQOSA-N 1 2 357.410 2.405 20 5 FEBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C[C@@H](C)O2 ZINC000279986519 550949837 /nfs/dbraw/zinc/94/98/37/550949837.db2.gz ZVPWGZFLIDOEPN-VBHSOAQHSA-N 1 2 374.397 2.413 20 5 FEBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C[C@@H](C)O2 ZINC000279986519 550949838 /nfs/dbraw/zinc/94/98/38/550949838.db2.gz ZVPWGZFLIDOEPN-VBHSOAQHSA-N 1 2 374.397 2.413 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280587302 551010293 /nfs/dbraw/zinc/01/02/93/551010293.db2.gz UBBUUAWUCASICL-ACJLOTCBSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280587302 551010294 /nfs/dbraw/zinc/01/02/94/551010294.db2.gz UBBUUAWUCASICL-ACJLOTCBSA-N 1 2 363.414 2.192 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000281912582 551156688 /nfs/dbraw/zinc/15/66/88/551156688.db2.gz YIPXLPMJAWIPOK-SGANQWHYSA-N 1 2 362.455 2.309 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c1 ZINC000283345681 551351464 /nfs/dbraw/zinc/35/14/64/551351464.db2.gz ZYGRQNBHRRLYBX-YVEFUNNKSA-N 1 2 374.397 2.377 20 5 FEBDLO COC(=O)[C@]1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000283400089 551360190 /nfs/dbraw/zinc/36/01/90/551360190.db2.gz VBPQMUXCYXVXPL-KZULUSFZSA-N 1 2 372.381 2.052 20 5 FEBDLO Nc1ccc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)c([N+](=O)[O-])c1 ZINC000283548799 551385691 /nfs/dbraw/zinc/38/56/91/551385691.db2.gz MJMVNEIUKCXCFY-UHFFFAOYSA-N 1 2 352.398 2.147 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285785396 551810273 /nfs/dbraw/zinc/81/02/73/551810273.db2.gz ZBYLBSNWCMUWIY-ZDUSSCGKSA-N 1 2 355.398 2.445 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285785396 551810274 /nfs/dbraw/zinc/81/02/74/551810274.db2.gz ZBYLBSNWCMUWIY-ZDUSSCGKSA-N 1 2 355.398 2.445 20 5 FEBDLO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)[S@]1=O ZINC000286074348 551845917 /nfs/dbraw/zinc/84/59/17/551845917.db2.gz RZMNFZBFNCZPNA-DBSNISEYSA-N 1 2 353.444 2.155 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)[S@]1=O ZINC000286074348 551845918 /nfs/dbraw/zinc/84/59/18/551845918.db2.gz RZMNFZBFNCZPNA-DBSNISEYSA-N 1 2 353.444 2.155 20 5 FEBDLO O=C(Cn1cc[nH+]c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000286203119 551860838 /nfs/dbraw/zinc/86/08/38/551860838.db2.gz KXFMXFYYTGCGHT-UHFFFAOYSA-N 1 2 365.187 2.139 20 5 FEBDLO C[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000286691367 551915247 /nfs/dbraw/zinc/91/52/47/551915247.db2.gz IMUJIQPLFKPBMW-ILXRZTDVSA-N 1 2 362.430 2.160 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000287429948 552003332 /nfs/dbraw/zinc/00/33/32/552003332.db2.gz QPGZTHMIFXXQED-SWLSCSKDSA-N 1 2 367.833 2.112 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000287498505 552011851 /nfs/dbraw/zinc/01/18/51/552011851.db2.gz ULSNAUFEYPSECU-WCQYABFASA-N 1 2 353.806 2.183 20 5 FEBDLO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccn1 ZINC000287588755 552022530 /nfs/dbraw/zinc/02/25/30/552022530.db2.gz YFPLXMUNYQJPDG-UHFFFAOYSA-N 1 2 358.398 2.385 20 5 FEBDLO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccn1 ZINC000287588755 552022532 /nfs/dbraw/zinc/02/25/32/552022532.db2.gz YFPLXMUNYQJPDG-UHFFFAOYSA-N 1 2 358.398 2.385 20 5 FEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000291214477 552601028 /nfs/dbraw/zinc/60/10/28/552601028.db2.gz GDTNJMFRVLLXQA-CZUORRHYSA-N 1 2 370.409 2.078 20 5 FEBDLO CON(C)C(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000291291928 552611193 /nfs/dbraw/zinc/61/11/93/552611193.db2.gz PRBAHCWRJHZNNC-UHFFFAOYSA-N 1 2 373.356 2.428 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC(F)(F)[C@H](CO)C3)n2)c1 ZINC000291696315 552652348 /nfs/dbraw/zinc/65/23/48/552652348.db2.gz HSTSMUQDCQZNSM-NSHDSACASA-N 1 2 354.313 2.094 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC(F)(F)[C@H](CO)C3)n2)c1 ZINC000291696315 552652349 /nfs/dbraw/zinc/65/23/49/552652349.db2.gz HSTSMUQDCQZNSM-NSHDSACASA-N 1 2 354.313 2.094 20 5 FEBDLO CC(C)n1cnnc1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000293543700 552833847 /nfs/dbraw/zinc/83/38/47/552833847.db2.gz AVTCVHZBYVCXPL-UHFFFAOYSA-N 1 2 369.385 2.225 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000295192367 552968388 /nfs/dbraw/zinc/96/83/88/552968388.db2.gz DGOFLIXLHATASJ-CQSZACIVSA-N 1 2 364.427 2.241 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1(C)C ZINC000296051965 553096531 /nfs/dbraw/zinc/09/65/31/553096531.db2.gz ZEXCPEBLSJIHAN-AWEZNQCLSA-N 1 2 358.354 2.280 20 5 FEBDLO Cc1ccc(NC(=O)C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000296131641 553110034 /nfs/dbraw/zinc/11/00/34/553110034.db2.gz MXHKSPOWYJPKJW-AWEZNQCLSA-N 1 2 371.397 2.185 20 5 FEBDLO Cc1cc(NCCNC(=O)CNc2ccccc2[N+](=O)[O-])nc(C(C)C)[nH+]1 ZINC000600363775 553257103 /nfs/dbraw/zinc/25/71/03/553257103.db2.gz BMSUTKZOPCGTMC-UHFFFAOYSA-N 1 2 372.429 2.457 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297792393 553339394 /nfs/dbraw/zinc/33/93/94/553339394.db2.gz XMKICWQGZXETKR-KBPBESRZSA-N 1 2 350.419 2.018 20 5 FEBDLO Cc1cc(NC(=O)C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000298811771 553475815 /nfs/dbraw/zinc/47/58/15/553475815.db2.gz ARFMBACTLVFYST-AWEZNQCLSA-N 1 2 371.397 2.185 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000299501069 553572328 /nfs/dbraw/zinc/57/23/28/553572328.db2.gz HVKHHBLECODNKV-UHFFFAOYSA-N 1 2 350.400 2.126 20 5 FEBDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000301099775 553621675 /nfs/dbraw/zinc/62/16/75/553621675.db2.gz SOIDSRXXTRXKPP-HOTGVXAUSA-N 1 2 360.458 2.412 20 5 FEBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000506224844 561693428 /nfs/dbraw/zinc/69/34/28/561693428.db2.gz GHNTUTPCUVNOSJ-UHFFFAOYSA-N 1 2 372.406 2.318 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000507918226 561745943 /nfs/dbraw/zinc/74/59/43/561745943.db2.gz DRTUCDHYZPQEDR-NXEZZACHSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000507918226 561745944 /nfs/dbraw/zinc/74/59/44/561745944.db2.gz DRTUCDHYZPQEDR-NXEZZACHSA-N 1 2 361.851 2.270 20 5 FEBDLO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000330924524 554189865 /nfs/dbraw/zinc/18/98/65/554189865.db2.gz UPEIFTLRYXXZPE-GFCCVEGCSA-N 1 2 373.331 2.160 20 5 FEBDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000331645896 554301082 /nfs/dbraw/zinc/30/10/82/554301082.db2.gz VKKDQFYWFWPEEL-MZMPZRCHSA-N 1 2 363.414 2.192 20 5 FEBDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000331645896 554301085 /nfs/dbraw/zinc/30/10/85/554301085.db2.gz VKKDQFYWFWPEEL-MZMPZRCHSA-N 1 2 363.414 2.192 20 5 FEBDLO Cc1c(F)cc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000331819794 554325048 /nfs/dbraw/zinc/32/50/48/554325048.db2.gz LYEDVQSAPLAVPD-LBPRGKRZSA-N 1 2 354.363 2.291 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000511258723 561863039 /nfs/dbraw/zinc/86/30/39/561863039.db2.gz GNOLSBKUUWNTII-CQSZACIVSA-N 1 2 350.400 2.066 20 5 FEBDLO Cc1nc([C@H]2CCC[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)no1 ZINC000360263115 554869404 /nfs/dbraw/zinc/86/94/04/554869404.db2.gz YAUMHVHREJEVBZ-AWEZNQCLSA-N 1 2 371.397 2.055 20 5 FEBDLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)no1 ZINC000360263115 554869406 /nfs/dbraw/zinc/86/94/06/554869406.db2.gz YAUMHVHREJEVBZ-AWEZNQCLSA-N 1 2 371.397 2.055 20 5 FEBDLO COc1cc(OCC(=O)N2CCC[C@@H]2c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000360643894 554883678 /nfs/dbraw/zinc/88/36/78/554883678.db2.gz UVGBRTCJJVFQGP-CQSZACIVSA-N 1 2 360.370 2.079 20 5 FEBDLO CCc1nc(C[NH+]2C[C@H]3CN(c4ccc([N+](=O)[O-])c(C)c4)C[C@@H]3C2)no1 ZINC000361768757 554933784 /nfs/dbraw/zinc/93/37/84/554933784.db2.gz QQGHCNJNGNJIIH-KBPBESRZSA-N 1 2 357.414 2.417 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000363208661 555053996 /nfs/dbraw/zinc/05/39/96/555053996.db2.gz DVWUSAIOBPIKDC-KGLIPLIRSA-N 1 2 373.413 2.464 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000363208661 555053998 /nfs/dbraw/zinc/05/39/98/555053998.db2.gz DVWUSAIOBPIKDC-KGLIPLIRSA-N 1 2 373.413 2.464 20 5 FEBDLO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C3CCC3)C2)c([N+](=O)[O-])cc1F ZINC000364058110 555241855 /nfs/dbraw/zinc/24/18/55/555241855.db2.gz SEPOOOPZWRGVGB-CYBMUJFWSA-N 1 2 351.378 2.233 20 5 FEBDLO COc1cc(C[N@H+]2CC[C@@H](NC(=O)C3CCC3)C2)c([N+](=O)[O-])cc1F ZINC000364058110 555241857 /nfs/dbraw/zinc/24/18/57/555241857.db2.gz SEPOOOPZWRGVGB-CYBMUJFWSA-N 1 2 351.378 2.233 20 5 FEBDLO Cc1nc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000365108041 555487113 /nfs/dbraw/zinc/48/71/13/555487113.db2.gz AKDGYYAWDUCBNV-NSHDSACASA-N 1 2 358.402 2.228 20 5 FEBDLO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365515511 555596133 /nfs/dbraw/zinc/59/61/33/555596133.db2.gz KJOKWGCIVAOYRM-CYBMUJFWSA-N 1 2 357.322 2.012 20 5 FEBDLO CN(CC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1[N+](=O)[O-] ZINC000365525147 555598867 /nfs/dbraw/zinc/59/88/67/555598867.db2.gz VFWYUDVAYGNLHI-CQSZACIVSA-N 1 2 357.414 2.171 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000513714005 561947579 /nfs/dbraw/zinc/94/75/79/561947579.db2.gz WOPSFTOXGYRQKD-QGZVFWFLSA-N 1 2 365.393 2.306 20 5 FEBDLO CC[C@H](NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000366267369 555797401 /nfs/dbraw/zinc/79/74/01/555797401.db2.gz IHEOBJFPULNAGJ-IRXDYDNUSA-N 1 2 362.430 2.208 20 5 FEBDLO CC[C@H](NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000366267369 555797402 /nfs/dbraw/zinc/79/74/02/555797402.db2.gz IHEOBJFPULNAGJ-IRXDYDNUSA-N 1 2 362.430 2.208 20 5 FEBDLO NC(=O)[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C(F)(F)F ZINC000367471927 556059870 /nfs/dbraw/zinc/05/98/70/556059870.db2.gz ZGUMZZFNXGRJPW-NXEZZACHSA-N 1 2 351.712 2.344 20 5 FEBDLO NC(=O)[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C(F)(F)F ZINC000367471927 556059872 /nfs/dbraw/zinc/05/98/72/556059872.db2.gz ZGUMZZFNXGRJPW-NXEZZACHSA-N 1 2 351.712 2.344 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1(C)C ZINC000514920238 561986657 /nfs/dbraw/zinc/98/66/57/561986657.db2.gz BVWAIITUMKZBAC-HNNXBMFYSA-N 1 2 372.381 2.323 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc3nsnc3c([N+](=O)[O-])c1)CCC2 ZINC000368066487 556208889 /nfs/dbraw/zinc/20/88/89/556208889.db2.gz ZCXCXNKDSHBEOZ-SNVBAGLBSA-N 1 2 372.410 2.412 20 5 FEBDLO CNc1ccc(C(=O)N2CC[NH+](Cc3c(C)noc3C)CC2)cc1[N+](=O)[O-] ZINC000515196152 562000146 /nfs/dbraw/zinc/00/01/46/562000146.db2.gz MPPLMSFIWIRONE-UHFFFAOYSA-N 1 2 373.413 2.199 20 5 FEBDLO Cc1cc([C@H]2CCC[N@@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)[nH]n1 ZINC000368668008 556380156 /nfs/dbraw/zinc/38/01/56/556380156.db2.gz JTGZWVAPJBJKRB-AWEZNQCLSA-N 1 2 357.414 2.469 20 5 FEBDLO Cc1cc([C@H]2CCC[N@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)[nH]n1 ZINC000368668008 556380161 /nfs/dbraw/zinc/38/01/61/556380161.db2.gz JTGZWVAPJBJKRB-AWEZNQCLSA-N 1 2 357.414 2.469 20 5 FEBDLO Cc1cc([C@H]2CCC[N@@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000368668008 556380165 /nfs/dbraw/zinc/38/01/65/556380165.db2.gz JTGZWVAPJBJKRB-AWEZNQCLSA-N 1 2 357.414 2.469 20 5 FEBDLO Cc1cc([C@H]2CCC[N@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000368668008 556380168 /nfs/dbraw/zinc/38/01/68/556380168.db2.gz JTGZWVAPJBJKRB-AWEZNQCLSA-N 1 2 357.414 2.469 20 5 FEBDLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)nn1 ZINC000368856550 556430395 /nfs/dbraw/zinc/43/03/95/556430395.db2.gz PNIZUJZZOIKQKG-LBPRGKRZSA-N 1 2 365.777 2.073 20 5 FEBDLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)nn1 ZINC000368856550 556430396 /nfs/dbraw/zinc/43/03/96/556430396.db2.gz PNIZUJZZOIKQKG-LBPRGKRZSA-N 1 2 365.777 2.073 20 5 FEBDLO CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CCN(c2cccc[nH+]2)CC1 ZINC000368926578 556450276 /nfs/dbraw/zinc/45/02/76/556450276.db2.gz YFPLIYJOOVNZHA-UHFFFAOYSA-N 1 2 356.382 2.436 20 5 FEBDLO O=C(C[N@@H+]1CCCC[C@H]1CN1CCCC1=O)Nc1ccccc1[N+](=O)[O-] ZINC000369179981 556527421 /nfs/dbraw/zinc/52/74/21/556527421.db2.gz HJQILGAHQFRVFI-AWEZNQCLSA-N 1 2 360.414 2.010 20 5 FEBDLO O=C(C[N@H+]1CCCC[C@H]1CN1CCCC1=O)Nc1ccccc1[N+](=O)[O-] ZINC000369179981 556527422 /nfs/dbraw/zinc/52/74/22/556527422.db2.gz HJQILGAHQFRVFI-AWEZNQCLSA-N 1 2 360.414 2.010 20 5 FEBDLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000370606358 556920255 /nfs/dbraw/zinc/92/02/55/556920255.db2.gz KKCSYXGGXSVIDQ-HNNXBMFYSA-N 1 2 355.398 2.087 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000517582990 562093195 /nfs/dbraw/zinc/09/31/95/562093195.db2.gz DPMYZRMOEXGZDX-CQSZACIVSA-N 1 2 356.382 2.426 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000517582990 562093196 /nfs/dbraw/zinc/09/31/96/562093196.db2.gz DPMYZRMOEXGZDX-CQSZACIVSA-N 1 2 356.382 2.426 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000372361844 557450154 /nfs/dbraw/zinc/45/01/54/557450154.db2.gz STJAMQKDDVPLBZ-CYBMUJFWSA-N 1 2 366.381 2.144 20 5 FEBDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000372856151 557576169 /nfs/dbraw/zinc/57/61/69/557576169.db2.gz IBTXGZCYYAPMSP-HOCLYGCPSA-N 1 2 362.336 2.443 20 5 FEBDLO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000372856151 557576171 /nfs/dbraw/zinc/57/61/71/557576171.db2.gz IBTXGZCYYAPMSP-HOCLYGCPSA-N 1 2 362.336 2.443 20 5 FEBDLO CC1(C)C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000373800649 557761599 /nfs/dbraw/zinc/76/15/99/557761599.db2.gz ZZGQFMYRWKBINX-SFHVURJKSA-N 1 2 363.414 2.193 20 5 FEBDLO CC1(C)C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000373800649 557761602 /nfs/dbraw/zinc/76/16/02/557761602.db2.gz ZZGQFMYRWKBINX-SFHVURJKSA-N 1 2 363.414 2.193 20 5 FEBDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000374347996 557869224 /nfs/dbraw/zinc/86/92/24/557869224.db2.gz DTUMYXCWTPOYOA-AWEZNQCLSA-N 1 2 365.386 2.199 20 5 FEBDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000374347996 557869225 /nfs/dbraw/zinc/86/92/25/557869225.db2.gz DTUMYXCWTPOYOA-AWEZNQCLSA-N 1 2 365.386 2.199 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@](F)(c3cc(F)cc(F)c3)C2)c1 ZINC000375284363 558004253 /nfs/dbraw/zinc/00/42/53/558004253.db2.gz NYTASQWMVIHXAU-JKSUJKDBSA-N 1 2 370.331 2.001 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@](F)(c3cc(F)cc(F)c3)C2)c1 ZINC000375284363 558004254 /nfs/dbraw/zinc/00/42/54/558004254.db2.gz NYTASQWMVIHXAU-JKSUJKDBSA-N 1 2 370.331 2.001 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000375766772 558079451 /nfs/dbraw/zinc/07/94/51/558079451.db2.gz XVXVJYGEGBISFH-DGCLKSJQSA-N 1 2 359.386 2.493 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000375766772 558079453 /nfs/dbraw/zinc/07/94/53/558079453.db2.gz XVXVJYGEGBISFH-DGCLKSJQSA-N 1 2 359.386 2.493 20 5 FEBDLO C[C@H](C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000376171213 558136410 /nfs/dbraw/zinc/13/64/10/558136410.db2.gz INQZTSOAXHFVEE-YDHLFZDLSA-N 1 2 365.405 2.159 20 5 FEBDLO CCCC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000377445411 558342357 /nfs/dbraw/zinc/34/23/57/558342357.db2.gz QWXIGHDJYGZWPN-AWEZNQCLSA-N 1 2 362.430 2.256 20 5 FEBDLO CCCC(=O)N1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000377445411 558342360 /nfs/dbraw/zinc/34/23/60/558342360.db2.gz QWXIGHDJYGZWPN-AWEZNQCLSA-N 1 2 362.430 2.256 20 5 FEBDLO NC(=O)c1ccc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c([N+](=O)[O-])c1 ZINC000377524261 558357225 /nfs/dbraw/zinc/35/72/25/558357225.db2.gz MAQCIJMKZZLOSK-UHFFFAOYSA-N 1 2 355.350 2.067 20 5 FEBDLO NC(=O)c1ccc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)c([N+](=O)[O-])c1 ZINC000377524261 558357226 /nfs/dbraw/zinc/35/72/26/558357226.db2.gz MAQCIJMKZZLOSK-UHFFFAOYSA-N 1 2 355.350 2.067 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000377662758 558389872 /nfs/dbraw/zinc/38/98/72/558389872.db2.gz RWGKFFQWSOTFQF-RHSMWYFYSA-N 1 2 374.441 2.399 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000377662758 558389873 /nfs/dbraw/zinc/38/98/73/558389873.db2.gz RWGKFFQWSOTFQF-RHSMWYFYSA-N 1 2 374.441 2.399 20 5 FEBDLO Cc1[nH+]c2n(c1CN1CCN(c3ccc([N+](=O)[O-])cn3)CC1)CCCC2 ZINC000378524280 558574842 /nfs/dbraw/zinc/57/48/42/558574842.db2.gz USRQBTLZPNJAQL-UHFFFAOYSA-N 1 2 356.430 2.153 20 5 FEBDLO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000378571451 558586105 /nfs/dbraw/zinc/58/61/05/558586105.db2.gz NJLVHPLAGAMXGO-JDIZFGSQSA-N 1 2 369.425 2.017 20 5 FEBDLO O=C(Nc1ccc2c(c1)C(=O)NC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000524468265 562229161 /nfs/dbraw/zinc/22/91/61/562229161.db2.gz ZKTQGPPFTHMGQE-UHFFFAOYSA-N 1 2 363.333 2.276 20 5 FEBDLO O=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000409729754 558716972 /nfs/dbraw/zinc/71/69/72/558716972.db2.gz SZMDLVYRKOOYNA-UHFFFAOYSA-N 1 2 371.393 2.445 20 5 FEBDLO O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000409737366 558717601 /nfs/dbraw/zinc/71/76/01/558717601.db2.gz QPWWHQNYELOWMB-UHFFFAOYSA-N 1 2 371.393 2.445 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCc2cncs2)CC1 ZINC000411161561 558846987 /nfs/dbraw/zinc/84/69/87/558846987.db2.gz FBULIVPGTKJDGW-UHFFFAOYSA-N 1 2 352.441 2.113 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411960425 558995705 /nfs/dbraw/zinc/99/57/05/558995705.db2.gz YSOGNIYNKANTEH-RDJZCZTQSA-N 1 2 371.393 2.350 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411960425 558995706 /nfs/dbraw/zinc/99/57/06/558995706.db2.gz YSOGNIYNKANTEH-RDJZCZTQSA-N 1 2 371.393 2.350 20 5 FEBDLO CC(C)Oc1cc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000412042913 559005882 /nfs/dbraw/zinc/00/58/82/559005882.db2.gz UWSZKIRDLRWOFH-KBPBESRZSA-N 1 2 365.430 2.221 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c1F ZINC000412332921 559028676 /nfs/dbraw/zinc/02/86/76/559028676.db2.gz JVVDGBHVEHWLSC-INIZCTEOSA-N 1 2 362.361 2.286 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412339101 559029081 /nfs/dbraw/zinc/02/90/81/559029081.db2.gz OYWZAHJUGKNMKS-XFKAJCMBSA-N 1 2 359.426 2.020 20 5 FEBDLO COc1ccnc(N2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000413079595 559076020 /nfs/dbraw/zinc/07/60/20/559076020.db2.gz YRBGBHYPJMMWCO-UHFFFAOYSA-N 1 2 366.381 2.268 20 5 FEBDLO Cc1ccc(CCNc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])[nH+]c1 ZINC000413360561 559101927 /nfs/dbraw/zinc/10/19/27/559101927.db2.gz ZGTAATSAXKGMLS-UHFFFAOYSA-N 1 2 370.409 2.425 20 5 FEBDLO Cc1cc2[nH+]cn(C[C@H](O)Cn3cc([N+](=O)[O-])cc(C)c3=O)c2cc1C ZINC000414152232 559150927 /nfs/dbraw/zinc/15/09/27/559150927.db2.gz XGVIBKUGWIFUMJ-OAHLLOKOSA-N 1 2 356.382 2.093 20 5 FEBDLO COc1cc[nH+]cc1CNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416487912 559317054 /nfs/dbraw/zinc/31/70/54/559317054.db2.gz LEGRPYNENTURQB-UHFFFAOYSA-N 1 2 351.384 2.094 20 5 FEBDLO Cc1cc(S(=O)(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)c(C)cc1[N+](=O)[O-] ZINC000416495215 559317534 /nfs/dbraw/zinc/31/75/34/559317534.db2.gz MCYIMKQSUIYQTA-NEPJUHHUSA-N 1 2 350.400 2.392 20 5 FEBDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000418939297 559422612 /nfs/dbraw/zinc/42/26/12/559422612.db2.gz FNRCQMZXUOHLLY-QGZVFWFLSA-N 1 2 368.409 2.216 20 5 FEBDLO CC[N@@H+]1CCO[C@@H](c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)C1 ZINC000420498708 559490030 /nfs/dbraw/zinc/49/00/30/559490030.db2.gz HHASBEVBFQYYDV-CQSZACIVSA-N 1 2 359.386 2.396 20 5 FEBDLO CC[N@H+]1CCO[C@@H](c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)C1 ZINC000420498708 559490031 /nfs/dbraw/zinc/49/00/31/559490031.db2.gz HHASBEVBFQYYDV-CQSZACIVSA-N 1 2 359.386 2.396 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)n1 ZINC000427464484 559756053 /nfs/dbraw/zinc/75/60/53/559756053.db2.gz WPRQLRXHGURJEH-CYBMUJFWSA-N 1 2 373.413 2.457 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000430236192 559815846 /nfs/dbraw/zinc/81/58/46/559815846.db2.gz AKDJBTMGCHTONV-MRXNPFEDSA-N 1 2 362.430 2.181 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000430236192 559815847 /nfs/dbraw/zinc/81/58/47/559815847.db2.gz AKDJBTMGCHTONV-MRXNPFEDSA-N 1 2 362.430 2.181 20 5 FEBDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000432881139 559867144 /nfs/dbraw/zinc/86/71/44/559867144.db2.gz QERQRAKRMQOGGC-WBMJQRKESA-N 1 2 362.361 2.046 20 5 FEBDLO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436829950 559953403 /nfs/dbraw/zinc/95/34/03/559953403.db2.gz BZNQFRNWUUFYQB-HNNXBMFYSA-N 1 2 357.366 2.119 20 5 FEBDLO O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436829950 559953404 /nfs/dbraw/zinc/95/34/04/559953404.db2.gz BZNQFRNWUUFYQB-HNNXBMFYSA-N 1 2 357.366 2.119 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000439871487 560001234 /nfs/dbraw/zinc/00/12/34/560001234.db2.gz PDAVXFKAJIZYIX-QWHCGFSZSA-N 1 2 366.418 2.224 20 5 FEBDLO CC[C@H](NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C)c1[nH]cc[nH+]1 ZINC000443124831 560071718 /nfs/dbraw/zinc/07/17/18/560071718.db2.gz CLSNUPWBMUUQDI-ZDUSSCGKSA-N 1 2 355.358 2.088 20 5 FEBDLO O=C(NCC[NH+]1CCC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444234674 560106298 /nfs/dbraw/zinc/10/62/98/560106298.db2.gz DEGYLOQZUHZXLZ-UHFFFAOYSA-N 1 2 357.360 2.395 20 5 FEBDLO COc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nc1 ZINC000444482414 560114608 /nfs/dbraw/zinc/11/46/08/560114608.db2.gz RNDQTOLSVIXWEV-UHFFFAOYSA-N 1 2 353.338 2.114 20 5 FEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000447658657 560166071 /nfs/dbraw/zinc/16/60/71/560166071.db2.gz IOWFXQGXASBYBR-WBVHZDCISA-N 1 2 363.458 2.343 20 5 FEBDLO COCCN(CC(F)F)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448864468 560203625 /nfs/dbraw/zinc/20/36/25/560203625.db2.gz CBHTVYDMCLIFTK-UHFFFAOYSA-N 1 2 354.313 2.134 20 5 FEBDLO O=C(NC[C@H](O)C1CCCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449842559 560242215 /nfs/dbraw/zinc/24/22/15/560242215.db2.gz NAYQTEWPQXIERW-KRWDZBQOSA-N 1 2 358.398 2.452 20 5 FEBDLO COC[C@](C)(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000450036881 560248911 /nfs/dbraw/zinc/24/89/11/560248911.db2.gz BHTSVECFZOTHEM-AWEZNQCLSA-N 1 2 372.303 2.478 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCS[C@H]2COCC[C@@H]21 ZINC000450160629 560252587 /nfs/dbraw/zinc/25/25/87/560252587.db2.gz VYYBPGOJWVAJCJ-HOCLYGCPSA-N 1 2 374.422 2.127 20 5 FEBDLO COCCO[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451492479 560310283 /nfs/dbraw/zinc/31/02/83/560310283.db2.gz IQWVFTLEZNXNDY-HNNXBMFYSA-N 1 2 374.397 2.048 20 5 FEBDLO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000451945243 560339916 /nfs/dbraw/zinc/33/99/16/560339916.db2.gz IEOMCFGKSOICAU-SCZZXKLOSA-N 1 2 356.791 2.429 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2COC)c([N+](=O)[O-])c1 ZINC000452042538 560347281 /nfs/dbraw/zinc/34/72/81/560347281.db2.gz UGQWHHYJXVTFQZ-ZDUSSCGKSA-N 1 2 351.403 2.433 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2COC)c([N+](=O)[O-])c1 ZINC000452042538 560347282 /nfs/dbraw/zinc/34/72/82/560347282.db2.gz UGQWHHYJXVTFQZ-ZDUSSCGKSA-N 1 2 351.403 2.433 20 5 FEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452054090 560348363 /nfs/dbraw/zinc/34/83/63/560348363.db2.gz PQOWWZPYXFJJQH-UONOGXRCSA-N 1 2 357.414 2.236 20 5 FEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452054090 560348364 /nfs/dbraw/zinc/34/83/64/560348364.db2.gz PQOWWZPYXFJJQH-UONOGXRCSA-N 1 2 357.414 2.236 20 5 FEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452054088 560348431 /nfs/dbraw/zinc/34/84/31/560348431.db2.gz PQOWWZPYXFJJQH-KBPBESRZSA-N 1 2 357.414 2.236 20 5 FEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452054088 560348432 /nfs/dbraw/zinc/34/84/32/560348432.db2.gz PQOWWZPYXFJJQH-KBPBESRZSA-N 1 2 357.414 2.236 20 5 FEBDLO CNc1nc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000454811125 560459052 /nfs/dbraw/zinc/45/90/52/560459052.db2.gz OFWKAFSQVYFQLN-UHFFFAOYSA-N 1 2 370.413 2.347 20 5 FEBDLO C[C@@H]1C[C@@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c2[nH+]ccn21 ZINC000455490187 560484360 /nfs/dbraw/zinc/48/43/60/560484360.db2.gz WJOSJWJRPUNCBY-BXUZGUMPSA-N 1 2 357.370 2.401 20 5 FEBDLO CC[C@@H](C)N(CC(=O)OC)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000456038555 560505253 /nfs/dbraw/zinc/50/52/53/560505253.db2.gz PIRBTLCHBUNMQN-GFCCVEGCSA-N 1 2 360.370 2.194 20 5 FEBDLO CCOC(=O)c1cc(C(=O)N[C@H](C)c2[nH+]ccn2CC)cc([N+](=O)[O-])c1 ZINC000456385844 560518617 /nfs/dbraw/zinc/51/86/17/560518617.db2.gz MRQSNHWMECCRJS-LLVKDONJSA-N 1 2 360.370 2.479 20 5 FEBDLO C[C@@H]1C[C@@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c2[nH+]ccn21 ZINC000459119714 560667743 /nfs/dbraw/zinc/66/77/43/560667743.db2.gz QSORANCMBAFVTR-IAQYHMDHSA-N 1 2 357.370 2.270 20 5 FEBDLO Cn1c(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)ccc1[N+](=O)[O-] ZINC000468967339 560943541 /nfs/dbraw/zinc/94/35/41/560943541.db2.gz JTCCHYOBHPVGCL-UHFFFAOYSA-N 1 2 357.414 2.486 20 5 FEBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000470435439 560981679 /nfs/dbraw/zinc/98/16/79/560981679.db2.gz BBHZWYZLZHBPFU-GFCCVEGCSA-N 1 2 373.356 2.037 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000470435439 560981680 /nfs/dbraw/zinc/98/16/80/560981680.db2.gz BBHZWYZLZHBPFU-GFCCVEGCSA-N 1 2 373.356 2.037 20 5 FEBDLO CCN(CC)C(=O)C[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473517986 561051776 /nfs/dbraw/zinc/05/17/76/561051776.db2.gz CLVIYFGOZSZOSL-UHFFFAOYSA-N 1 2 371.441 2.133 20 5 FEBDLO COC(=O)COc1ccc(C[NH2+]Cc2nccn2C(F)F)cc1[N+](=O)[O-] ZINC000474361770 561072146 /nfs/dbraw/zinc/07/21/46/561072146.db2.gz KEZYADUOTACTPU-UHFFFAOYSA-N 1 2 370.312 2.028 20 5 FEBDLO CC[C@@H]1C[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000475574360 561100155 /nfs/dbraw/zinc/10/01/55/561100155.db2.gz WOPGOVOBCZOLNT-GXTWGEPZSA-N 1 2 352.387 2.146 20 5 FEBDLO CC[C@@H]1C[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000475574360 561100156 /nfs/dbraw/zinc/10/01/56/561100156.db2.gz WOPGOVOBCZOLNT-GXTWGEPZSA-N 1 2 352.387 2.146 20 5 FEBDLO COc1c(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cccc1[N+](=O)[O-] ZINC000476354286 561117318 /nfs/dbraw/zinc/11/73/18/561117318.db2.gz CSODHMPVCHKTGC-UHFFFAOYSA-N 1 2 372.381 2.396 20 5 FEBDLO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@H]1n1cc[nH+]c1 ZINC000531834569 562458409 /nfs/dbraw/zinc/45/84/09/562458409.db2.gz GXVDZIPVJSVIRU-IUODEOHRSA-N 1 2 372.381 2.286 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000532576115 562481947 /nfs/dbraw/zinc/48/19/47/562481947.db2.gz DSDMHYSOEUGBCB-ZIAGYGMSSA-N 1 2 360.414 2.009 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000532576115 562481948 /nfs/dbraw/zinc/48/19/48/562481948.db2.gz DSDMHYSOEUGBCB-ZIAGYGMSSA-N 1 2 360.414 2.009 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc3c(cc1[N+](=O)[O-])OCO3)CCC2 ZINC000532780522 562488663 /nfs/dbraw/zinc/48/86/63/562488663.db2.gz GGVQVGGMPQQELG-LLVKDONJSA-N 1 2 358.354 2.136 20 5 FEBDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000534530399 562536211 /nfs/dbraw/zinc/53/62/11/562536211.db2.gz CTMVGZQTYVEXIU-HNNXBMFYSA-N 1 2 365.386 2.199 20 5 FEBDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000534530399 562536212 /nfs/dbraw/zinc/53/62/12/562536212.db2.gz CTMVGZQTYVEXIU-HNNXBMFYSA-N 1 2 365.386 2.199 20 5 FEBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000609470823 567910775 /nfs/dbraw/zinc/91/07/75/567910775.db2.gz RSRWJRIYBRHZOO-ZDUSSCGKSA-N 1 2 359.386 2.286 20 5 FEBDLO O=C(NCCCCn1cc[nH+]c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000604474577 568299075 /nfs/dbraw/zinc/29/90/75/568299075.db2.gz QTQULEGXWFWFRQ-UHFFFAOYSA-N 1 2 354.370 2.187 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1 ZINC000570472468 568483163 /nfs/dbraw/zinc/48/31/63/568483163.db2.gz NTWGDMNALAVKSH-ZIAGYGMSSA-N 1 2 362.390 2.253 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1 ZINC000570472468 568483164 /nfs/dbraw/zinc/48/31/64/568483164.db2.gz NTWGDMNALAVKSH-ZIAGYGMSSA-N 1 2 362.390 2.253 20 5 FEBDLO Cc1nc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1C ZINC000564443870 675019416 /nfs/dbraw/zinc/01/94/16/675019416.db2.gz LARVWQIEAYHXAU-UHFFFAOYSA-N 1 2 355.441 2.232 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cc1Cl ZINC000816642032 675070048 /nfs/dbraw/zinc/07/00/48/675070048.db2.gz NHTWSZIEOSLODL-CYBMUJFWSA-N 1 2 351.794 2.169 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cc1Cl ZINC000816642032 675070051 /nfs/dbraw/zinc/07/00/51/675070051.db2.gz NHTWSZIEOSLODL-CYBMUJFWSA-N 1 2 351.794 2.169 20 5 FEBDLO CC(=O)NC1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000092669453 670743213 /nfs/dbraw/zinc/74/32/13/670743213.db2.gz NPLDUPIQMJYDMU-UHFFFAOYSA-N 1 2 356.220 2.458 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)cn1 ZINC000609802301 675936967 /nfs/dbraw/zinc/93/69/67/675936967.db2.gz QRCOEKVTOQOYRG-INIZCTEOSA-N 1 2 362.817 2.499 20 5 FEBDLO Cc1nn(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000170638570 672323351 /nfs/dbraw/zinc/32/33/51/672323351.db2.gz OHUAOQPNXNEEDW-ZDUSSCGKSA-N 1 2 353.423 2.212 20 5 FEBDLO Cc1nn(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000170638570 672323352 /nfs/dbraw/zinc/32/33/52/672323352.db2.gz OHUAOQPNXNEEDW-ZDUSSCGKSA-N 1 2 353.423 2.212 20 5 FEBDLO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1SC ZINC000587045605 672439945 /nfs/dbraw/zinc/43/99/45/672439945.db2.gz XJQDPCQAPIPNJV-JTQLQIEISA-N 1 2 362.411 2.267 20 5 FEBDLO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1SC ZINC000587045606 672440033 /nfs/dbraw/zinc/44/00/33/672440033.db2.gz XJQDPCQAPIPNJV-SNVBAGLBSA-N 1 2 362.411 2.267 20 5 FEBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCc2c[nH+]cn2C1 ZINC000587062726 672440515 /nfs/dbraw/zinc/44/05/15/672440515.db2.gz XXVHSWRBNXHHSD-LBPRGKRZSA-N 1 2 364.789 2.345 20 5 FEBDLO C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000590680669 672600983 /nfs/dbraw/zinc/60/09/83/672600983.db2.gz RUJKBSZVOYOCIJ-TVQRCGJNSA-N 1 2 361.320 2.063 20 5 FEBDLO C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000590680669 672600987 /nfs/dbraw/zinc/60/09/87/672600987.db2.gz RUJKBSZVOYOCIJ-TVQRCGJNSA-N 1 2 361.320 2.063 20 5 FEBDLO CC(C)(CO)[NH+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000611515833 676042008 /nfs/dbraw/zinc/04/20/08/676042008.db2.gz NVAXHLGEDNAPRD-UHFFFAOYSA-N 1 2 363.439 2.338 20 5 FEBDLO O=C1[C@@H]([N@@H+]2CCC[C@H](OC(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000611577149 676045410 /nfs/dbraw/zinc/04/54/10/676045410.db2.gz GGFUWUDYTSYAID-KBPBESRZSA-N 1 2 355.341 2.404 20 5 FEBDLO O=C1[C@@H]([N@H+]2CCC[C@H](OC(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000611577149 676045411 /nfs/dbraw/zinc/04/54/11/676045411.db2.gz GGFUWUDYTSYAID-KBPBESRZSA-N 1 2 355.341 2.404 20 5 FEBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000591845954 672715774 /nfs/dbraw/zinc/71/57/74/672715774.db2.gz URNYIVGFQGVKKI-LBPRGKRZSA-N 1 2 352.192 2.396 20 5 FEBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000591845954 672715777 /nfs/dbraw/zinc/71/57/77/672715777.db2.gz URNYIVGFQGVKKI-LBPRGKRZSA-N 1 2 352.192 2.396 20 5 FEBDLO CC(C)(CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[NH+]1CCOCC1 ZINC000597094143 673446736 /nfs/dbraw/zinc/44/67/36/673446736.db2.gz LQXQWYHWUHPEJS-UHFFFAOYSA-N 1 2 371.825 2.063 20 5 FEBDLO CC1(C)C[N@H+](CCNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCO1 ZINC000597095213 673447013 /nfs/dbraw/zinc/44/70/13/673447013.db2.gz OMRVKBSSRAQXCB-UHFFFAOYSA-N 1 2 371.825 2.063 20 5 FEBDLO CC1(C)C[N@@H+](CCNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCO1 ZINC000597095213 673447016 /nfs/dbraw/zinc/44/70/16/673447016.db2.gz OMRVKBSSRAQXCB-UHFFFAOYSA-N 1 2 371.825 2.063 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cccc1[N+](=O)[O-] ZINC000599631991 673699869 /nfs/dbraw/zinc/69/98/69/673699869.db2.gz NUIGAKIZDMYIML-QBSBMQLGSA-N 1 2 365.455 2.216 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cccc1[N+](=O)[O-] ZINC000599631991 673699871 /nfs/dbraw/zinc/69/98/71/673699871.db2.gz NUIGAKIZDMYIML-QBSBMQLGSA-N 1 2 365.455 2.216 20 5 FEBDLO COc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c([N+](=O)[O-])cc1OC ZINC000600206861 673749055 /nfs/dbraw/zinc/74/90/55/673749055.db2.gz FIAIUQLLLWOORK-RSPPDBIESA-N 1 2 354.428 2.097 20 5 FEBDLO COc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c([N+](=O)[O-])cc1OC ZINC000600206861 673749057 /nfs/dbraw/zinc/74/90/57/673749057.db2.gz FIAIUQLLLWOORK-RSPPDBIESA-N 1 2 354.428 2.097 20 5 FEBDLO CC[NH+]1CCN(C(=O)[C@@H](C)SCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000600569104 673779717 /nfs/dbraw/zinc/77/97/17/673779717.db2.gz GQCQXELAOOHAGP-CQSZACIVSA-N 1 2 367.471 2.259 20 5 FEBDLO CCc1nn(C)c(NCc2cc[nH+]c(N3CCSCC3)c2)c1[N+](=O)[O-] ZINC000601240648 673834985 /nfs/dbraw/zinc/83/49/85/673834985.db2.gz LLIBDRGYJMKMMF-UHFFFAOYSA-N 1 2 362.459 2.451 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c2c(c1)COCO2 ZINC000602738058 673910900 /nfs/dbraw/zinc/91/09/00/673910900.db2.gz ISMHURWAWJCSGM-WCQYABFASA-N 1 2 362.304 2.064 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c2c(c1)COCO2 ZINC000602738058 673910902 /nfs/dbraw/zinc/91/09/02/673910902.db2.gz ISMHURWAWJCSGM-WCQYABFASA-N 1 2 362.304 2.064 20 5 FEBDLO CCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000604273847 675804304 /nfs/dbraw/zinc/80/43/04/675804304.db2.gz PLQGXUSAGKHMOK-LBPRGKRZSA-N 1 2 351.403 2.431 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc4nsnc43)CC2)cn1 ZINC000766010651 680863291 /nfs/dbraw/zinc/86/32/91/680863291.db2.gz XQLDXADDPQCGCV-UHFFFAOYSA-N 1 2 356.411 2.317 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C[NH+](Cc3ccc(Cl)cc3)C2)CC1 ZINC001035704093 680450978 /nfs/dbraw/zinc/45/09/78/680450978.db2.gz DHOFWPUKAWHQAO-HZPDHXFCSA-N 1 2 363.845 2.430 20 5 FEBDLO COc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1Cl ZINC001002787269 680508411 /nfs/dbraw/zinc/50/84/11/680508411.db2.gz IKPSKABCHPOPDE-ZIAGYGMSSA-N 1 2 367.833 2.094 20 5 FEBDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000769997345 681002406 /nfs/dbraw/zinc/00/24/06/681002406.db2.gz JUBXNLDCHPNOPC-UHFFFAOYSA-N 1 2 356.810 2.481 20 5 FEBDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000769997345 681002408 /nfs/dbraw/zinc/00/24/08/681002408.db2.gz JUBXNLDCHPNOPC-UHFFFAOYSA-N 1 2 356.810 2.481 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c1F ZINC000771749807 681067831 /nfs/dbraw/zinc/06/78/31/681067831.db2.gz CAVAOJPWKGIGBA-LBPRGKRZSA-N 1 2 368.390 2.265 20 5 FEBDLO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000851821667 682148287 /nfs/dbraw/zinc/14/82/87/682148287.db2.gz WVFJGLLWNXFNJQ-SECBINFHSA-N 1 2 365.814 2.150 20 5 FEBDLO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000851821667 682148288 /nfs/dbraw/zinc/14/82/88/682148288.db2.gz WVFJGLLWNXFNJQ-SECBINFHSA-N 1 2 365.814 2.150 20 5 FEBDLO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cs1 ZINC000851869335 682170664 /nfs/dbraw/zinc/17/06/64/682170664.db2.gz DJTLAGZNMWRTJV-CYBMUJFWSA-N 1 2 367.452 2.209 20 5 FEBDLO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)cs1 ZINC000851869335 682170668 /nfs/dbraw/zinc/17/06/68/682170668.db2.gz DJTLAGZNMWRTJV-CYBMUJFWSA-N 1 2 367.452 2.209 20 5 FEBDLO C[C@@H]1C[N@H+](CCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)CO1 ZINC000853848248 682478391 /nfs/dbraw/zinc/47/83/91/682478391.db2.gz SNOIFIXHPOWBCG-VXGBXAGGSA-N 1 2 370.837 2.157 20 5 FEBDLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)CO1 ZINC000853848248 682478395 /nfs/dbraw/zinc/47/83/95/682478395.db2.gz SNOIFIXHPOWBCG-VXGBXAGGSA-N 1 2 370.837 2.157 20 5 FEBDLO C[C@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000854097245 682512771 /nfs/dbraw/zinc/51/27/71/682512771.db2.gz GHTYSUQMYYGUTK-MJBXVCDLSA-N 1 2 350.419 2.064 20 5 FEBDLO C[C@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000854097245 682512776 /nfs/dbraw/zinc/51/27/76/682512776.db2.gz GHTYSUQMYYGUTK-MJBXVCDLSA-N 1 2 350.419 2.064 20 5 FEBDLO C[NH+](C)CCCOC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000792294393 682802664 /nfs/dbraw/zinc/80/26/64/682802664.db2.gz MMCNMTSYEULZPJ-UHFFFAOYSA-N 1 2 368.777 2.248 20 5 FEBDLO 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O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000029536782 539856356 /nfs/dbraw/zinc/85/63/56/539856356.db2.gz SKHBVGZJOYVQPK-IEBWSBKVSA-N 1 2 358.394 2.408 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000029536782 539856360 /nfs/dbraw/zinc/85/63/60/539856360.db2.gz SKHBVGZJOYVQPK-IEBWSBKVSA-N 1 2 358.394 2.408 20 5 FEBDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1C ZINC000058501852 540846881 /nfs/dbraw/zinc/84/68/81/540846881.db2.gz PAGMJUCKFWQVDE-UHFFFAOYSA-N 1 2 371.440 2.497 20 5 FEBDLO O=C(NCc1cccc([N+](=O)[O-])c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000063069560 541156058 /nfs/dbraw/zinc/15/60/58/541156058.db2.gz BHZUCQQHBRMPIS-UHFFFAOYSA-N 1 2 355.398 2.458 20 5 FEBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccnc2)CC1 ZINC000066311786 541299844 /nfs/dbraw/zinc/29/98/44/541299844.db2.gz XKTUAKQPDMQGJO-UHFFFAOYSA-N 1 2 370.409 2.103 20 5 FEBDLO COC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 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COc1ccc(-c2ccc(C[N@H+]3C[C@H](CO)OC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000092042011 542840186 /nfs/dbraw/zinc/84/01/86/542840186.db2.gz JKGOKOSPFNYFBD-SWLSCSKDSA-N 1 2 362.382 2.445 20 5 FEBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000092044723 542841008 /nfs/dbraw/zinc/84/10/08/542841008.db2.gz CEQLCYHBCGTQMR-BIENSFFJSA-N 1 2 365.455 2.108 20 5 FEBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000092044723 542841010 /nfs/dbraw/zinc/84/10/10/542841010.db2.gz CEQLCYHBCGTQMR-BIENSFFJSA-N 1 2 365.455 2.108 20 5 FEBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000092044722 542841142 /nfs/dbraw/zinc/84/11/42/542841142.db2.gz CEQLCYHBCGTQMR-YERXGYGTSA-N 1 2 365.455 2.108 20 5 FEBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000092044722 542841145 /nfs/dbraw/zinc/84/11/45/542841145.db2.gz CEQLCYHBCGTQMR-YERXGYGTSA-N 1 2 365.455 2.108 20 5 FEBDLO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000104774251 543143035 /nfs/dbraw/zinc/14/30/35/543143035.db2.gz HBNYADMLNSIOJD-MNOVXSKESA-N 1 2 356.810 2.479 20 5 FEBDLO O=[N+]([O-])c1cccc(OCC[NH+]2CCN(CC(F)(F)C(F)F)CC2)c1 ZINC000114491489 543521486 /nfs/dbraw/zinc/52/14/86/543521486.db2.gz LDRBJNOZALTHSH-UHFFFAOYSA-N 1 2 365.327 2.492 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000125201744 543867079 /nfs/dbraw/zinc/86/70/79/543867079.db2.gz AJWKQQUQNHUJER-UHFFFAOYSA-N 1 2 369.425 2.055 20 5 FEBDLO Cc1c(CC(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)cccc1[N+](=O)[O-] ZINC000128429526 544052187 /nfs/dbraw/zinc/05/21/87/544052187.db2.gz HEACMOKSOXTVDV-UHFFFAOYSA-N 1 2 369.421 2.496 20 5 FEBDLO NC(=O)c1ccccc1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130614424 544158429 /nfs/dbraw/zinc/15/84/29/544158429.db2.gz YBVWPKNVWPKOLP-UHFFFAOYSA-N 1 2 368.393 2.297 20 5 FEBDLO NC(=O)c1ccccc1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130614424 544158431 /nfs/dbraw/zinc/15/84/31/544158431.db2.gz YBVWPKNVWPKOLP-UHFFFAOYSA-N 1 2 368.393 2.297 20 5 FEBDLO CN(C(=O)C[N@@H+]1CCc2ccccc2[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000130798842 544165305 /nfs/dbraw/zinc/16/53/05/544165305.db2.gz BUNQULNITCZDHR-GOSISDBHSA-N 1 2 355.394 2.149 20 5 FEBDLO CN(C(=O)C[N@H+]1CCc2ccccc2[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000130798842 544165307 /nfs/dbraw/zinc/16/53/07/544165307.db2.gz BUNQULNITCZDHR-GOSISDBHSA-N 1 2 355.394 2.149 20 5 FEBDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000134986375 544330251 /nfs/dbraw/zinc/33/02/51/544330251.db2.gz RYUAGVXXSWKFBL-NSHDSACASA-N 1 2 363.805 2.490 20 5 FEBDLO C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000151255992 544521753 /nfs/dbraw/zinc/52/17/53/544521753.db2.gz JZQBPXJWOMDHQD-YPMHNXCESA-N 1 2 368.390 2.202 20 5 FEBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NC(=O)NCc1ccco1 ZINC000153334993 544762770 /nfs/dbraw/zinc/76/27/70/544762770.db2.gz ZHCOQYYPQFSYJQ-UHFFFAOYSA-N 1 2 372.381 2.178 20 5 FEBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NC(=O)NCc1ccco1 ZINC000153334993 544762773 /nfs/dbraw/zinc/76/27/73/544762773.db2.gz ZHCOQYYPQFSYJQ-UHFFFAOYSA-N 1 2 372.381 2.178 20 5 FEBDLO C[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)Cn1cc[nH+]c1 ZINC000153790946 544823904 /nfs/dbraw/zinc/82/39/04/544823904.db2.gz MAZNQFQZGNIVNA-ZDUSSCGKSA-N 1 2 354.370 2.043 20 5 FEBDLO CCc1nnc(C2CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)[nH]1 ZINC000190649170 328221903 /nfs/dbraw/zinc/22/19/03/328221903.db2.gz PBPASKKIUOGTLK-UHFFFAOYSA-N 1 2 372.429 2.402 20 5 FEBDLO CCc1n[nH]c(C2CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)n1 ZINC000190649170 328221904 /nfs/dbraw/zinc/22/19/04/328221904.db2.gz PBPASKKIUOGTLK-UHFFFAOYSA-N 1 2 372.429 2.402 20 5 FEBDLO CCc1nc(C2CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)n[nH]1 ZINC000190649170 328221905 /nfs/dbraw/zinc/22/19/05/328221905.db2.gz PBPASKKIUOGTLK-UHFFFAOYSA-N 1 2 372.429 2.402 20 5 FEBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000192499872 328322207 /nfs/dbraw/zinc/32/22/07/328322207.db2.gz CGJHBBOZTHKQTJ-LBPRGKRZSA-N 1 2 360.418 2.352 20 5 FEBDLO COC(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000007636994 324356929 /nfs/dbraw/zinc/35/69/29/324356929.db2.gz PHUNXYIJCJDJAK-UHFFFAOYSA-N 1 2 355.778 2.072 20 5 FEBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000052987653 324726090 /nfs/dbraw/zinc/72/60/90/324726090.db2.gz XXSVISFZFXYPKH-SFHVURJKSA-N 1 2 370.409 2.102 20 5 FEBDLO NC(=O)C1CCN(c2[nH+]cccc2CNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000078445611 325046483 /nfs/dbraw/zinc/04/64/83/325046483.db2.gz RBAFBCRGKXZSEI-UHFFFAOYSA-N 1 2 373.388 2.443 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@](O)(C(F)(F)F)C3)n2)cc1 ZINC000081085060 325159872 /nfs/dbraw/zinc/15/98/72/325159872.db2.gz IWOWGWZFOJOMGY-ZDUSSCGKSA-N 1 2 358.276 2.144 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@](O)(C(F)(F)F)C3)n2)cc1 ZINC000081085060 325159876 /nfs/dbraw/zinc/15/98/76/325159876.db2.gz IWOWGWZFOJOMGY-ZDUSSCGKSA-N 1 2 358.276 2.144 20 5 FEBDLO CC(C)(CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000105007239 325553464 /nfs/dbraw/zinc/55/34/64/325553464.db2.gz PNDYZTOKEVCTCI-UHFFFAOYSA-N 1 2 364.446 2.014 20 5 FEBDLO O=C(Nc1cnn(CC(F)F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000116841479 326038645 /nfs/dbraw/zinc/03/86/45/326038645.db2.gz BFONJJHCBTXBLW-UHFFFAOYSA-N 1 2 362.296 2.494 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866516 326109712 /nfs/dbraw/zinc/10/97/12/326109712.db2.gz PTFQKZXILWQRDY-AWEZNQCLSA-N 1 2 371.397 2.123 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866516 326109716 /nfs/dbraw/zinc/10/97/16/326109716.db2.gz PTFQKZXILWQRDY-AWEZNQCLSA-N 1 2 371.397 2.123 20 5 FEBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000120033269 326223651 /nfs/dbraw/zinc/22/36/51/326223651.db2.gz XQDLNXJOFHPJCQ-AWEZNQCLSA-N 1 2 358.398 2.188 20 5 FEBDLO COCCCNC(=O)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000121433768 326338420 /nfs/dbraw/zinc/33/84/20/326338420.db2.gz VQHLZLSUZZJYAE-UHFFFAOYSA-N 1 2 361.398 2.439 20 5 FEBDLO COCCCNC(=O)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000121433768 326338422 /nfs/dbraw/zinc/33/84/22/326338422.db2.gz VQHLZLSUZZJYAE-UHFFFAOYSA-N 1 2 361.398 2.439 20 5 FEBDLO COC(=O)c1cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c1 ZINC000123920619 326444551 /nfs/dbraw/zinc/44/45/51/326444551.db2.gz SCPBCBRGFUFRSH-BLLLJJGKSA-N 1 2 372.381 2.301 20 5 FEBDLO COc1ccc(CSCC(=O)N2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000124749897 326459572 /nfs/dbraw/zinc/45/95/72/326459572.db2.gz GSDYQOWWIYPAER-UHFFFAOYSA-N 1 2 365.455 2.143 20 5 FEBDLO CC1CC[NH+](CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000131269920 326571494 /nfs/dbraw/zinc/57/14/94/326571494.db2.gz PACJMGSDABMXCY-UHFFFAOYSA-N 1 2 361.851 2.258 20 5 FEBDLO O=C(CSc1ccc([N+](=O)[O-])cn1)N1CC[NH+](Cc2ccco2)CC1 ZINC000160310252 326961274 /nfs/dbraw/zinc/96/12/74/326961274.db2.gz YMNNBXLRHSFYAZ-UHFFFAOYSA-N 1 2 362.411 2.019 20 5 FEBDLO CCN(CC)C(=O)C[NH+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163282958 327047783 /nfs/dbraw/zinc/04/77/83/327047783.db2.gz IIAQQQMZPNFVFB-UHFFFAOYSA-N 1 2 368.865 2.234 20 5 FEBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3c([N+](=O)[O-])cnn3C)n2)C1 ZINC000163499611 327052821 /nfs/dbraw/zinc/05/28/21/327052821.db2.gz YDLIWWYGWZKHRY-SNVBAGLBSA-N 1 2 364.431 2.269 20 5 FEBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3c([N+](=O)[O-])cnn3C)n2)C1 ZINC000163499611 327052822 /nfs/dbraw/zinc/05/28/22/327052822.db2.gz YDLIWWYGWZKHRY-SNVBAGLBSA-N 1 2 364.431 2.269 20 5 FEBDLO CC1CC[NH+](Cc2csc(NC(=O)c3c([N+](=O)[O-])cnn3C)n2)CC1 ZINC000163501611 327052996 /nfs/dbraw/zinc/05/29/96/327052996.db2.gz APAZRQLGPMMWAE-UHFFFAOYSA-N 1 2 364.431 2.269 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)c1 ZINC000172803583 327220088 /nfs/dbraw/zinc/22/00/88/327220088.db2.gz DAEISPPREAGPEQ-CQSZACIVSA-N 1 2 370.409 2.453 20 5 FEBDLO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@H]1C ZINC000174320273 327319613 /nfs/dbraw/zinc/31/96/13/327319613.db2.gz ZSPHHNYWKBLBCP-NWDGAFQWSA-N 1 2 363.439 2.337 20 5 FEBDLO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@H]1C ZINC000174320273 327319614 /nfs/dbraw/zinc/31/96/14/327319614.db2.gz ZSPHHNYWKBLBCP-NWDGAFQWSA-N 1 2 363.439 2.337 20 5 FEBDLO COc1ccc(C[N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1O ZINC000174625741 327339684 /nfs/dbraw/zinc/33/96/84/327339684.db2.gz BFJJSLFOSOWMOV-UHFFFAOYSA-N 1 2 371.393 2.330 20 5 FEBDLO COc1ccc(C[N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1O ZINC000174625741 327339687 /nfs/dbraw/zinc/33/96/87/327339687.db2.gz BFJJSLFOSOWMOV-UHFFFAOYSA-N 1 2 371.393 2.330 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000264341945 329012319 /nfs/dbraw/zinc/01/23/19/329012319.db2.gz YLPFOIVHFBLARX-RYUDHWBXSA-N 1 2 353.444 2.156 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000264690386 329049373 /nfs/dbraw/zinc/04/93/73/329049373.db2.gz NJYAINAZOGDLJP-CYBMUJFWSA-N 1 2 373.413 2.214 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000264690386 329049374 /nfs/dbraw/zinc/04/93/74/329049374.db2.gz NJYAINAZOGDLJP-CYBMUJFWSA-N 1 2 373.413 2.214 20 5 FEBDLO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267003323 329282096 /nfs/dbraw/zinc/28/20/96/329282096.db2.gz DWQRKHXWAMAFIR-UHFFFAOYSA-N 1 2 359.423 2.028 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)N[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000267637975 329345655 /nfs/dbraw/zinc/34/56/55/329345655.db2.gz IWQFUNKRGYDJQZ-SNVBAGLBSA-N 1 2 358.807 2.120 20 5 FEBDLO Cc1nc(N2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC2)cc[nH+]1 ZINC000274049624 329911164 /nfs/dbraw/zinc/91/11/64/329911164.db2.gz UKNCFCKFIKBMSD-UHFFFAOYSA-N 1 2 366.381 2.137 20 5 FEBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nncn1C ZINC000275208760 330022211 /nfs/dbraw/zinc/02/22/11/330022211.db2.gz RVAMKCBPSAFZEF-BDAKNGLRSA-N 1 2 352.782 2.055 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000275442275 330049077 /nfs/dbraw/zinc/04/90/77/330049077.db2.gz KOFHMVPEYDABKY-OAHLLOKOSA-N 1 2 351.403 2.025 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000275442275 330049078 /nfs/dbraw/zinc/04/90/78/330049078.db2.gz KOFHMVPEYDABKY-OAHLLOKOSA-N 1 2 351.403 2.025 20 5 FEBDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000275782195 330088403 /nfs/dbraw/zinc/08/84/03/330088403.db2.gz CIIZFUDHXXAAGK-PALPZSCYSA-N 1 2 356.382 2.378 20 5 FEBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367086725 330215600 /nfs/dbraw/zinc/21/56/00/330215600.db2.gz VFXOFTCNWSEYOQ-SFHVURJKSA-N 1 2 369.425 2.355 20 5 FEBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C1([NH+]2CCOCC2)CCCC1 ZINC000158040762 545816068 /nfs/dbraw/zinc/81/60/68/545816068.db2.gz HTZBGDDGKHFITL-CYBMUJFWSA-N 1 2 363.414 2.064 20 5 FEBDLO O=C(NCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1Br ZINC000158407710 545858294 /nfs/dbraw/zinc/85/82/94/545858294.db2.gz PQSDPTNXKKKFQO-UHFFFAOYSA-N 1 2 353.176 2.374 20 5 FEBDLO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000176752493 546484048 /nfs/dbraw/zinc/48/40/48/546484048.db2.gz RGDSEBGBOXSQDY-GDBMZVCRSA-N 1 2 362.430 2.080 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)c1C ZINC000178405206 546788077 /nfs/dbraw/zinc/78/80/77/546788077.db2.gz GANXLKSMTUREGX-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO COc1ccc(CSCC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000481384109 561231838 /nfs/dbraw/zinc/23/18/38/561231838.db2.gz VCNVEWXENQWWFD-GFCCVEGCSA-N 1 2 364.427 2.238 20 5 FEBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000180665980 547154667 /nfs/dbraw/zinc/15/46/67/547154667.db2.gz XPHQXBXNFVNVIA-UHFFFAOYSA-N 1 2 351.366 2.352 20 5 FEBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000181074673 547243916 /nfs/dbraw/zinc/24/39/16/547243916.db2.gz HSORPWQPPDPPOT-UHFFFAOYSA-N 1 2 367.471 2.500 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000181999954 547419639 /nfs/dbraw/zinc/41/96/39/547419639.db2.gz XARMNYXRFJSCCW-YOEHRIQHSA-N 1 2 364.423 2.470 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000181999954 547419642 /nfs/dbraw/zinc/41/96/42/547419642.db2.gz XARMNYXRFJSCCW-YOEHRIQHSA-N 1 2 364.423 2.470 20 5 FEBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182018916 547423198 /nfs/dbraw/zinc/42/31/98/547423198.db2.gz REOZDXCBOIZHNZ-ZDUSSCGKSA-N 1 2 368.865 2.281 20 5 FEBDLO CN(C)c1ccc2cc(NC(=O)c3cc([N+](=O)[O-])cnc3N)ccc2[nH+]1 ZINC000183769938 547717212 /nfs/dbraw/zinc/71/72/12/547717212.db2.gz LTGZKGJOLTTWHG-UHFFFAOYSA-N 1 2 352.354 2.439 20 5 FEBDLO O=C(N[C@H]1CCCc2c[nH]nc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000484735565 561304813 /nfs/dbraw/zinc/30/48/13/561304813.db2.gz KASFBEHKRPODTD-ZDUSSCGKSA-N 1 2 352.354 2.311 20 5 FEBDLO C[C@H]([C@H](C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000185195162 547950184 /nfs/dbraw/zinc/95/01/84/547950184.db2.gz PPYSXYLQPQBZTO-RWMBFGLXSA-N 1 2 353.394 2.063 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192635375 548368950 /nfs/dbraw/zinc/36/89/50/548368950.db2.gz WVQWLJLHDGAMOB-LBPRGKRZSA-N 1 2 356.382 2.153 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192635375 548368953 /nfs/dbraw/zinc/36/89/53/548368953.db2.gz WVQWLJLHDGAMOB-LBPRGKRZSA-N 1 2 356.382 2.153 20 5 FEBDLO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H](C)C1 ZINC000245643997 548964192 /nfs/dbraw/zinc/96/41/92/548964192.db2.gz ZLBBDJGFDHRHRC-BBRMVZONSA-N 1 2 365.430 2.167 20 5 FEBDLO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H](C)C1 ZINC000245643997 548964195 /nfs/dbraw/zinc/96/41/95/548964195.db2.gz ZLBBDJGFDHRHRC-BBRMVZONSA-N 1 2 365.430 2.167 20 5 FEBDLO O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000245734370 548985098 /nfs/dbraw/zinc/98/50/98/548985098.db2.gz BCSFBTQYTKLMRD-IAOVAPTHSA-N 1 2 368.393 2.468 20 5 FEBDLO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488494319 561390704 /nfs/dbraw/zinc/39/07/04/561390704.db2.gz YSOSBEBEQNBDQM-CYBMUJFWSA-N 1 2 363.805 2.301 20 5 FEBDLO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1c(F)cccc1F ZINC000488983674 561401044 /nfs/dbraw/zinc/40/10/44/561401044.db2.gz ORMRFIJTHWUNHY-UHFFFAOYSA-N 1 2 365.340 2.345 20 5 FEBDLO CN1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000248458630 549443525 /nfs/dbraw/zinc/44/35/25/549443525.db2.gz NCJQHAJSCSQYQG-MJGOQNOKSA-N 1 2 371.437 2.323 20 5 FEBDLO 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ZINC000271380436 550370762 /nfs/dbraw/zinc/37/07/62/550370762.db2.gz SXPITFDIIOZPIM-UHFFFAOYSA-N 1 2 369.377 2.039 20 5 FEBDLO COC(=O)CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC(OC)OC ZINC000274335154 550533376 /nfs/dbraw/zinc/53/33/76/550533376.db2.gz SAJOOPDFLILXRR-UHFFFAOYSA-N 1 2 360.794 2.232 20 5 FEBDLO COC(=O)CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC(OC)OC ZINC000274335154 550533378 /nfs/dbraw/zinc/53/33/78/550533378.db2.gz SAJOOPDFLILXRR-UHFFFAOYSA-N 1 2 360.794 2.232 20 5 FEBDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000274909929 550564211 /nfs/dbraw/zinc/56/42/11/550564211.db2.gz TYAQKGPVLOWOTI-UHFFFAOYSA-N 1 2 357.370 2.011 20 5 FEBDLO O=C(C[N@H+]1C[C@@H](O)C2(CC2)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000494686120 561474317 /nfs/dbraw/zinc/47/43/17/561474317.db2.gz PSVHDTBPXUBJBT-CQSZACIVSA-N 1 2 374.422 2.114 20 5 FEBDLO O=C(C[N@@H+]1C[C@@H](O)C2(CC2)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000494686120 561474318 /nfs/dbraw/zinc/47/43/18/561474318.db2.gz PSVHDTBPXUBJBT-CQSZACIVSA-N 1 2 374.422 2.114 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c([N+](=O)[O-])c1 ZINC000276996014 550619595 /nfs/dbraw/zinc/61/95/95/550619595.db2.gz VPOMKHYLWIDSKL-UHFFFAOYSA-N 1 2 372.381 2.091 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CCc3cc[nH]c(=O)c3C2)c([N+](=O)[O-])c1 ZINC000276996014 550619596 /nfs/dbraw/zinc/61/95/96/550619596.db2.gz VPOMKHYLWIDSKL-UHFFFAOYSA-N 1 2 372.381 2.091 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@@](=O)C1 ZINC000277514920 550679635 /nfs/dbraw/zinc/67/96/35/550679635.db2.gz OWTVWAKKYPBGEF-YMXBGEKHSA-N 1 2 362.455 2.196 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@@](=O)C1 ZINC000277514920 550679637 /nfs/dbraw/zinc/67/96/37/550679637.db2.gz OWTVWAKKYPBGEF-YMXBGEKHSA-N 1 2 362.455 2.196 20 5 FEBDLO CCOC1CC(CNc2cc(OC)ccc2[N+](=O)[O-])([NH+]2CCOCC2)C1 ZINC000277779233 550713042 /nfs/dbraw/zinc/71/30/42/550713042.db2.gz FJCRPZCQRFTQBB-UHFFFAOYSA-N 1 2 365.430 2.285 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000278779067 550821205 /nfs/dbraw/zinc/82/12/05/550821205.db2.gz CXPNMHTVXMEEAX-AWEZNQCLSA-N 1 2 373.862 2.248 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000278779067 550821206 /nfs/dbraw/zinc/82/12/06/550821206.db2.gz CXPNMHTVXMEEAX-AWEZNQCLSA-N 1 2 373.862 2.248 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279035732 550849333 /nfs/dbraw/zinc/84/93/33/550849333.db2.gz FECUSBJHLSYNQS-AWEZNQCLSA-N 1 2 363.414 2.112 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279035732 550849334 /nfs/dbraw/zinc/84/93/34/550849334.db2.gz FECUSBJHLSYNQS-AWEZNQCLSA-N 1 2 363.414 2.112 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000279744423 550923925 /nfs/dbraw/zinc/92/39/25/550923925.db2.gz KUWUNSURPMUCEB-UHQDVWGKSA-N 1 2 363.414 2.190 20 5 FEBDLO 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Cc1n[nH]c(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000282805982 551272617 /nfs/dbraw/zinc/27/26/17/551272617.db2.gz OMTGNMWXQVZDIO-LBPRGKRZSA-N 1 2 358.402 2.179 20 5 FEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C[C@H]1C ZINC000497963208 561512471 /nfs/dbraw/zinc/51/24/71/561512471.db2.gz ATPDZARMXIWDRO-CHWSQXEVSA-N 1 2 355.460 2.315 20 5 FEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C[C@H]1C ZINC000497963208 561512472 /nfs/dbraw/zinc/51/24/72/561512472.db2.gz ATPDZARMXIWDRO-CHWSQXEVSA-N 1 2 355.460 2.315 20 5 FEBDLO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1nncn1C ZINC000285461879 551759833 /nfs/dbraw/zinc/75/98/33/551759833.db2.gz UCYQFLSGTXQDLE-AWEZNQCLSA-N 1 2 366.809 2.302 20 5 FEBDLO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)[S@@]1=O ZINC000286074345 551845817 /nfs/dbraw/zinc/84/58/17/551845817.db2.gz RZMNFZBFNCZPNA-FPJCUDJDSA-N 1 2 353.444 2.155 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)[S@@]1=O ZINC000286074345 551845819 /nfs/dbraw/zinc/84/58/19/551845819.db2.gz RZMNFZBFNCZPNA-FPJCUDJDSA-N 1 2 353.444 2.155 20 5 FEBDLO Cc1noc([C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000286778511 551925015 /nfs/dbraw/zinc/92/50/15/551925015.db2.gz YRHCEPLJYOXUCT-AWEZNQCLSA-N 1 2 368.353 2.449 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289688365 552362230 /nfs/dbraw/zinc/36/22/30/552362230.db2.gz ODKDYJOSCCFPMD-IUODEOHRSA-N 1 2 371.384 2.491 20 5 FEBDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289743642 552371506 /nfs/dbraw/zinc/37/15/06/552371506.db2.gz QSECMXUALCORIE-UHFFFAOYSA-N 1 2 356.810 2.481 20 5 FEBDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289743642 552371508 /nfs/dbraw/zinc/37/15/08/552371508.db2.gz QSECMXUALCORIE-UHFFFAOYSA-N 1 2 356.810 2.481 20 5 FEBDLO CC(C)n1cnnc1C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000292351573 552718862 /nfs/dbraw/zinc/71/88/62/552718862.db2.gz HLBMQCFLEKRWLQ-UHFFFAOYSA-N 1 2 364.381 2.367 20 5 FEBDLO CC(C)n1cnnc1C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000292351573 552718863 /nfs/dbraw/zinc/71/88/63/552718863.db2.gz HLBMQCFLEKRWLQ-UHFFFAOYSA-N 1 2 364.381 2.367 20 5 FEBDLO O=C(NCC1([NH+]2CCOCC2)CC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000295306518 552984425 /nfs/dbraw/zinc/98/44/25/552984425.db2.gz KGMTVOZPAUYZCZ-UHFFFAOYSA-N 1 2 373.331 2.208 20 5 FEBDLO Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(C)n2)[NH+]2CCOCC2)cc1 ZINC000295425111 553005069 /nfs/dbraw/zinc/00/50/69/553005069.db2.gz FFXCOMPFMHZLMA-KRWDZBQOSA-N 1 2 357.414 2.487 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@](C)(F)C1 ZINC000295705762 553047558 /nfs/dbraw/zinc/04/75/58/553047558.db2.gz MUHCYXYEABVTIX-INIZCTEOSA-N 1 2 371.413 2.072 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@](C)(F)C1 ZINC000295705762 553047560 /nfs/dbraw/zinc/04/75/60/553047560.db2.gz MUHCYXYEABVTIX-INIZCTEOSA-N 1 2 371.413 2.072 20 5 FEBDLO Cc1cc(NCCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)nc(C(C)C)[nH+]1 ZINC000600364857 553256928 /nfs/dbraw/zinc/25/69/28/553256928.db2.gz GRBBZCKDUHZNDF-UHFFFAOYSA-N 1 2 359.386 2.364 20 5 FEBDLO Cc1nc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000297156239 553257052 /nfs/dbraw/zinc/25/70/52/553257052.db2.gz OQLIHFBTXOMBRL-AWEZNQCLSA-N 1 2 363.443 2.264 20 5 FEBDLO CC1(C)CCC[C@@]1(O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000503916371 561649985 /nfs/dbraw/zinc/64/99/85/561649985.db2.gz ZVEFXAMTGHZAGM-GOSISDBHSA-N 1 2 358.398 2.452 20 5 FEBDLO COC1(c2ccccc2)C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000504694554 561661363 /nfs/dbraw/zinc/66/13/63/561661363.db2.gz JDCZEWNBPAUKTH-INIZCTEOSA-N 1 2 358.394 2.192 20 5 FEBDLO COc1cc(NC[C@]2([NH+]3CCOCC3)CCSC2)c([N+](=O)[O-])cc1F ZINC000301620892 553666643 /nfs/dbraw/zinc/66/66/43/553666643.db2.gz MUUWEZVIXRAGMR-MRXNPFEDSA-N 1 2 371.434 2.362 20 5 FEBDLO C[NH+](C)[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1ccco1 ZINC000301924599 553692767 /nfs/dbraw/zinc/69/27/67/553692767.db2.gz YLRXBUUVYLDICP-LBPRGKRZSA-N 1 2 353.400 2.306 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCCC3)C2)s1 ZINC000302003610 553697225 /nfs/dbraw/zinc/69/72/25/553697225.db2.gz YNJYSVLSPXRHPN-NSHDSACASA-N 1 2 359.473 2.124 20 5 FEBDLO Cc1cc(N2CC[N@H+](CCO)[C@@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302660939 553724484 /nfs/dbraw/zinc/72/44/84/553724484.db2.gz IIHKBOPECUNRML-NSHDSACASA-N 1 2 358.236 2.169 20 5 FEBDLO Cc1cc(N2CC[N@@H+](CCO)[C@@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302660939 553724486 /nfs/dbraw/zinc/72/44/86/553724486.db2.gz IIHKBOPECUNRML-NSHDSACASA-N 1 2 358.236 2.169 20 5 FEBDLO COC(=O)c1cc(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)cc([N+](=O)[O-])c1 ZINC000505848841 561682787 /nfs/dbraw/zinc/68/27/87/561682787.db2.gz AGEHMPGENASNET-LBPRGKRZSA-N 1 2 372.381 2.194 20 5 FEBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000505994638 561686966 /nfs/dbraw/zinc/68/69/66/561686966.db2.gz CYTZBVJSNJLGRQ-UHFFFAOYSA-N 1 2 352.350 2.475 20 5 FEBDLO O=C1[C@H]([N@@H+]2CCC[C@](O)(C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000331702578 554311156 /nfs/dbraw/zinc/31/11/56/554311156.db2.gz WSYXHLGPWJMZJM-UKRRQHHQSA-N 1 2 373.331 2.089 20 5 FEBDLO O=C1[C@H]([N@H+]2CCC[C@](O)(C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000331702578 554311157 /nfs/dbraw/zinc/31/11/57/554311157.db2.gz WSYXHLGPWJMZJM-UKRRQHHQSA-N 1 2 373.331 2.089 20 5 FEBDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])C2 ZINC000332655113 554491657 /nfs/dbraw/zinc/49/16/57/554491657.db2.gz OFHSGHTVYDWQFK-LLVKDONJSA-N 1 2 357.414 2.416 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cnn(C)c1C ZINC000362658307 554978650 /nfs/dbraw/zinc/97/86/50/554978650.db2.gz MDASUHWXBSTHJB-MRXNPFEDSA-N 1 2 373.413 2.421 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cnn(C)c1C ZINC000362658307 554978652 /nfs/dbraw/zinc/97/86/52/554978652.db2.gz MDASUHWXBSTHJB-MRXNPFEDSA-N 1 2 373.413 2.421 20 5 FEBDLO O=C(NCC1([NH+]2CCOCC2)CCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000362803649 554989394 /nfs/dbraw/zinc/98/93/94/554989394.db2.gz XNJYXGSINHVZKK-UHFFFAOYSA-N 1 2 351.378 2.109 20 5 FEBDLO CCCC(=O)N1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000363050679 555019057 /nfs/dbraw/zinc/01/90/57/555019057.db2.gz KGHFSNUNPMUHID-UHFFFAOYSA-N 1 2 373.413 2.479 20 5 FEBDLO CCCC(=O)N1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000363050679 555019059 /nfs/dbraw/zinc/01/90/59/555019059.db2.gz KGHFSNUNPMUHID-UHFFFAOYSA-N 1 2 373.413 2.479 20 5 FEBDLO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)C1CCN(c2cccc[nH+]2)CC1 ZINC000363483130 555117133 /nfs/dbraw/zinc/11/71/33/555117133.db2.gz VFTAHEVRJQPEPO-UHFFFAOYSA-N 1 2 370.409 2.496 20 5 FEBDLO Nc1ncnc2sc3c(c21)CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C3 ZINC000364079185 555246048 /nfs/dbraw/zinc/24/60/48/555246048.db2.gz KRUPCADRNQLJRU-CYBMUJFWSA-N 1 2 371.422 2.273 20 5 FEBDLO Nc1ncnc2sc3c(c21)CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C3 ZINC000364079185 555246049 /nfs/dbraw/zinc/24/60/49/555246049.db2.gz KRUPCADRNQLJRU-CYBMUJFWSA-N 1 2 371.422 2.273 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3cc(C)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000364421608 555310204 /nfs/dbraw/zinc/31/02/04/555310204.db2.gz MKVBEQURTYSRBS-ZDUSSCGKSA-N 1 2 373.413 2.453 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3cc(C)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000364421608 555310208 /nfs/dbraw/zinc/31/02/08/555310208.db2.gz MKVBEQURTYSRBS-ZDUSSCGKSA-N 1 2 373.413 2.453 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3cc(C)[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000364421608 555310211 /nfs/dbraw/zinc/31/02/11/555310211.db2.gz MKVBEQURTYSRBS-ZDUSSCGKSA-N 1 2 373.413 2.453 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3cc(C)[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000364421608 555310214 /nfs/dbraw/zinc/31/02/14/555310214.db2.gz MKVBEQURTYSRBS-ZDUSSCGKSA-N 1 2 373.413 2.453 20 5 FEBDLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000364984993 555457177 /nfs/dbraw/zinc/45/71/77/555457177.db2.gz HXIVELRIPRJGKU-ZDUSSCGKSA-N 1 2 370.365 2.117 20 5 FEBDLO Cc1nc([C@H]2CCC[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)no1 ZINC000365165219 555500188 /nfs/dbraw/zinc/50/01/88/555500188.db2.gz NGPHRVXIYLLRGN-XJKSGUPXSA-N 1 2 371.397 2.271 20 5 FEBDLO Cc1nc([C@H]2CCC[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)no1 ZINC000365165219 555500189 /nfs/dbraw/zinc/50/01/89/555500189.db2.gz NGPHRVXIYLLRGN-XJKSGUPXSA-N 1 2 371.397 2.271 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cccc(-n4cc[nH+]c4)n3)C2)nc1 ZINC000365402467 555565910 /nfs/dbraw/zinc/56/59/10/555565910.db2.gz BRZHDUGQAKEJEV-ZDUSSCGKSA-N 1 2 351.370 2.261 20 5 FEBDLO CCc1n[nH]c(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)c1[N+](=O)[O-] ZINC000365553319 555607295 /nfs/dbraw/zinc/60/72/95/555607295.db2.gz XJDXPVKGRHUQBB-CYBMUJFWSA-N 1 2 372.360 2.272 20 5 FEBDLO CCN1CCN(c2cc3[nH]c(=O)oc3cc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000366503655 555862167 /nfs/dbraw/zinc/86/21/67/555862167.db2.gz FPNQXNFTZXETKN-CYBMUJFWSA-N 1 2 358.358 2.048 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000366570836 555878914 /nfs/dbraw/zinc/87/89/14/555878914.db2.gz GHHBNVVOLTUMCI-LLVKDONJSA-N 1 2 354.370 2.283 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000368367621 556288968 /nfs/dbraw/zinc/28/89/68/556288968.db2.gz SPKDFKLYYGROLW-UHFFFAOYSA-N 1 2 371.397 2.279 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000368367621 556288971 /nfs/dbraw/zinc/28/89/71/556288971.db2.gz SPKDFKLYYGROLW-UHFFFAOYSA-N 1 2 371.397 2.279 20 5 FEBDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000515293972 562003613 /nfs/dbraw/zinc/00/36/13/562003613.db2.gz KZLURHPQUXXUON-UHFFFAOYSA-N 1 2 370.365 2.117 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000368766449 556408338 /nfs/dbraw/zinc/40/83/38/556408338.db2.gz GNJAJWYNYSUQSP-UHFFFAOYSA-N 1 2 373.413 2.178 20 5 FEBDLO C[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@]2(CCCOC2)O1 ZINC000369551090 556629039 /nfs/dbraw/zinc/62/90/39/556629039.db2.gz NMPSLUIGGRKBOZ-UGSOOPFHSA-N 1 2 374.397 2.415 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@]2(CCCOC2)O1 ZINC000369551090 556629040 /nfs/dbraw/zinc/62/90/40/556629040.db2.gz NMPSLUIGGRKBOZ-UGSOOPFHSA-N 1 2 374.397 2.415 20 5 FEBDLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@]2(CCCOC2)O1 ZINC000369552350 556629085 /nfs/dbraw/zinc/62/90/85/556629085.db2.gz QUWRCIVBXWVYEA-UGSOOPFHSA-N 1 2 374.397 2.415 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@]2(CCCOC2)O1 ZINC000369552350 556629086 /nfs/dbraw/zinc/62/90/86/556629086.db2.gz QUWRCIVBXWVYEA-UGSOOPFHSA-N 1 2 374.397 2.415 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nc(-c4ccccn4)no3)C2)nc1 ZINC000369830379 556706628 /nfs/dbraw/zinc/70/66/28/556706628.db2.gz PLELKKLBWYOYLY-GFCCVEGCSA-N 1 2 367.369 2.121 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3nc(-c4ccccn4)no3)C2)nc1 ZINC000369830379 556706630 /nfs/dbraw/zinc/70/66/30/556706630.db2.gz PLELKKLBWYOYLY-GFCCVEGCSA-N 1 2 367.369 2.121 20 5 FEBDLO Cc1cc(N2CCC(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)nc[nH+]1 ZINC000370272020 556826433 /nfs/dbraw/zinc/82/64/33/556826433.db2.gz ANNWZCCSRXPQEC-QPJJXVBHSA-N 1 2 367.409 2.492 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(N2CCC3(CC2)NC(=O)C2(CCCCC2)[NH2+]3)n1 ZINC000370653672 556931940 /nfs/dbraw/zinc/93/19/40/556931940.db2.gz MWXJQKIWHXFMAP-UHFFFAOYSA-N 1 2 359.430 2.017 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000372223336 557413985 /nfs/dbraw/zinc/41/39/85/557413985.db2.gz GZMSCGMGFYOILC-ZDUSSCGKSA-N 1 2 371.397 2.040 20 5 FEBDLO O=C(N[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1)C1CCC1 ZINC000373099817 557628341 /nfs/dbraw/zinc/62/83/41/557628341.db2.gz PECDGNITSFORMP-AWEZNQCLSA-N 1 2 371.397 2.135 20 5 FEBDLO O=C(N[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1)C1CCC1 ZINC000373099817 557628342 /nfs/dbraw/zinc/62/83/42/557628342.db2.gz PECDGNITSFORMP-AWEZNQCLSA-N 1 2 371.397 2.135 20 5 FEBDLO C[C@@H](c1nnnn1-c1ccccc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373229789 557654121 /nfs/dbraw/zinc/65/41/21/557654121.db2.gz OZSVPIWQOWLMKU-ZDUSSCGKSA-N 1 2 368.401 2.165 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000373805376 557762915 /nfs/dbraw/zinc/76/29/15/557762915.db2.gz OAAXZUCHHBZISS-HBUWYVDXSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000373805376 557762916 /nfs/dbraw/zinc/76/29/16/557762916.db2.gz OAAXZUCHHBZISS-HBUWYVDXSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000374013807 557807761 /nfs/dbraw/zinc/80/77/61/557807761.db2.gz JMXGSYUKFCIXKW-QWQRMKEZSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000374013807 557807763 /nfs/dbraw/zinc/80/77/63/557807763.db2.gz JMXGSYUKFCIXKW-QWQRMKEZSA-N 1 2 363.414 2.192 20 5 FEBDLO O=C1C[C@@H]([NH+]2CCC(OCC3CC3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000374127749 557828412 /nfs/dbraw/zinc/82/84/12/557828412.db2.gz AOYRHMQERVZNDQ-QGZVFWFLSA-N 1 2 373.409 2.118 20 5 FEBDLO O=C(NCC1CCOCC1)[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000374392909 557877893 /nfs/dbraw/zinc/87/78/93/557877893.db2.gz UTWYKTVNNVLWMY-KRWDZBQOSA-N 1 2 365.405 2.241 20 5 FEBDLO O=C(NCC1CCOCC1)[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000374392909 557877894 /nfs/dbraw/zinc/87/78/94/557877894.db2.gz UTWYKTVNNVLWMY-KRWDZBQOSA-N 1 2 365.405 2.241 20 5 FEBDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375590685 558053736 /nfs/dbraw/zinc/05/37/36/558053736.db2.gz JAAMCVKXDXBVJV-INIZCTEOSA-N 1 2 373.413 2.337 20 5 FEBDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375590685 558053737 /nfs/dbraw/zinc/05/37/37/558053737.db2.gz JAAMCVKXDXBVJV-INIZCTEOSA-N 1 2 373.413 2.337 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000375898731 558095994 /nfs/dbraw/zinc/09/59/94/558095994.db2.gz WRACYEZSZATBIF-ABAIWWIYSA-N 1 2 353.806 2.183 20 5 FEBDLO Cc1ccc(NCCCNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000378122283 558486302 /nfs/dbraw/zinc/48/63/02/558486302.db2.gz ZGXIDKWADNQXRN-ZDUSSCGKSA-N 1 2 372.429 2.285 20 5 FEBDLO Cc1ccc(NCCCNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000378122283 558486304 /nfs/dbraw/zinc/48/63/04/558486304.db2.gz ZGXIDKWADNQXRN-ZDUSSCGKSA-N 1 2 372.429 2.285 20 5 FEBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378393411 558546642 /nfs/dbraw/zinc/54/66/42/558546642.db2.gz VSSVDUSLNDCMLW-NSHDSACASA-N 1 2 364.789 2.414 20 5 FEBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378393411 558546644 /nfs/dbraw/zinc/54/66/44/558546644.db2.gz VSSVDUSLNDCMLW-NSHDSACASA-N 1 2 364.789 2.414 20 5 FEBDLO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000378571452 558585999 /nfs/dbraw/zinc/58/59/99/558585999.db2.gz NJLVHPLAGAMXGO-XJOINEQPSA-N 1 2 369.425 2.017 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000408181822 558654046 /nfs/dbraw/zinc/65/40/46/558654046.db2.gz GKWRPLWDUDYOJH-KGLIPLIRSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000408181822 558654050 /nfs/dbraw/zinc/65/40/50/558654050.db2.gz GKWRPLWDUDYOJH-KGLIPLIRSA-N 1 2 353.444 2.151 20 5 FEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000408334655 558667468 /nfs/dbraw/zinc/66/74/68/558667468.db2.gz BRHGNJIDGMPGGI-UONOGXRCSA-N 1 2 355.460 2.315 20 5 FEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000408334655 558667471 /nfs/dbraw/zinc/66/74/71/558667471.db2.gz BRHGNJIDGMPGGI-UONOGXRCSA-N 1 2 355.460 2.315 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)c1C ZINC000408338614 558668327 /nfs/dbraw/zinc/66/83/27/558668327.db2.gz LMJUOCWEUGAORB-HIFRSBDPSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)c1C ZINC000408338614 558668330 /nfs/dbraw/zinc/66/83/30/558668330.db2.gz LMJUOCWEUGAORB-HIFRSBDPSA-N 1 2 367.471 2.459 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411960427 558995746 /nfs/dbraw/zinc/99/57/46/558995746.db2.gz YSOGNIYNKANTEH-WBVHZDCISA-N 1 2 371.393 2.350 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411960427 558995748 /nfs/dbraw/zinc/99/57/48/558995748.db2.gz YSOGNIYNKANTEH-WBVHZDCISA-N 1 2 371.393 2.350 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1csnn1 ZINC000412031297 559003994 /nfs/dbraw/zinc/00/39/94/559003994.db2.gz BWLMXBWCYMTECF-BDAKNGLRSA-N 1 2 351.388 2.133 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412339095 559029074 /nfs/dbraw/zinc/02/90/74/559029074.db2.gz OYWZAHJUGKNMKS-NKGKWGDASA-N 1 2 359.426 2.020 20 5 FEBDLO Cn1ncc2c1CCCN(C(=O)c1ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c1)C2 ZINC000412441863 559035930 /nfs/dbraw/zinc/03/59/30/559035930.db2.gz KXBPFPUOQCAINM-UHFFFAOYSA-N 1 2 366.381 2.103 20 5 FEBDLO C[C@H](O)[C@H]1CCN(c2cc(N3CCc4ccc([N+](=O)[O-])cc4C3)nc[nH+]2)C1 ZINC000413186052 559086529 /nfs/dbraw/zinc/08/65/29/559086529.db2.gz OCWBPHJPQRHPRK-ZFWWWQNUSA-N 1 2 369.425 2.155 20 5 FEBDLO C[C@H](O)[C@H]1CCN(c2cc(N3CCc4ccc([N+](=O)[O-])cc4C3)[nH+]cn2)C1 ZINC000413186052 559086530 /nfs/dbraw/zinc/08/65/30/559086530.db2.gz OCWBPHJPQRHPRK-ZFWWWQNUSA-N 1 2 369.425 2.155 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414335432 559157074 /nfs/dbraw/zinc/15/70/74/559157074.db2.gz VAUQJZYUKCBVOE-UHFFFAOYSA-N 1 2 356.425 2.358 20 5 FEBDLO CCOc1cc(N2CC[NH+](Cc3ccc(C)nn3)CC2)ccc1[N+](=O)[O-] ZINC000414430238 559163462 /nfs/dbraw/zinc/16/34/62/559163462.db2.gz DMHUVUBWFXNCJY-UHFFFAOYSA-N 1 2 357.414 2.414 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000414466866 559166278 /nfs/dbraw/zinc/16/62/78/559166278.db2.gz HSEOUGNOILBZCQ-LLVKDONJSA-N 1 2 352.416 2.023 20 5 FEBDLO CCCN1C[C@H](CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1=O ZINC000420653833 559495645 /nfs/dbraw/zinc/49/56/45/559495645.db2.gz PBPKPRYVPYWROV-AWEZNQCLSA-N 1 2 369.425 2.453 20 5 FEBDLO CC[C@H](NC(=O)NCC[N@@H+]1CCO[C@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000426020394 559727761 /nfs/dbraw/zinc/72/77/61/559727761.db2.gz LAHKIYTYNSSIKN-SJORKVTESA-N 1 2 364.446 2.456 20 5 FEBDLO CC[C@H](NC(=O)NCC[N@H+]1CCO[C@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000426020394 559727762 /nfs/dbraw/zinc/72/77/62/559727762.db2.gz LAHKIYTYNSSIKN-SJORKVTESA-N 1 2 364.446 2.456 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)n1 ZINC000427105919 559747930 /nfs/dbraw/zinc/74/79/30/559747930.db2.gz BGADIPOTEFONTR-AWEZNQCLSA-N 1 2 372.360 2.203 20 5 FEBDLO Cc1ccc2nc(C[N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)cc(=O)n2c1 ZINC000438516260 559979989 /nfs/dbraw/zinc/97/99/89/559979989.db2.gz ODUPXKWGRCEGQY-UHFFFAOYSA-N 1 2 350.378 2.469 20 5 FEBDLO Cc1ccc2nc(C[N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)cc(=O)n2c1 ZINC000438516260 559979990 /nfs/dbraw/zinc/97/99/90/559979990.db2.gz ODUPXKWGRCEGQY-UHFFFAOYSA-N 1 2 350.378 2.469 20 5 FEBDLO NC(=O)c1ccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])cc1 ZINC000447808614 560169824 /nfs/dbraw/zinc/16/98/24/560169824.db2.gz VVHQUPLIDJLTSQ-UHFFFAOYSA-N 1 2 370.409 2.138 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@@H](O)Cc1ccccc1 ZINC000447812404 560169830 /nfs/dbraw/zinc/16/98/30/560169830.db2.gz LTWVJZAJENFSJE-SFHVURJKSA-N 1 2 371.437 2.443 20 5 FEBDLO CCN(CC)C(=O)CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448707316 560195460 /nfs/dbraw/zinc/19/54/60/560195460.db2.gz JSMMBAQDNOGLKO-UHFFFAOYSA-N 1 2 373.413 2.159 20 5 FEBDLO Cn1cc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)C2)cn1 ZINC000449879237 560243857 /nfs/dbraw/zinc/24/38/57/560243857.db2.gz FXYUNRAORFWYRH-CQSZACIVSA-N 1 2 366.381 2.144 20 5 FEBDLO O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450224288 560254495 /nfs/dbraw/zinc/25/44/95/560254495.db2.gz UHKYYXNFKYSJHG-IAOVAPTHSA-N 1 2 368.393 2.468 20 5 FEBDLO CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450821367 560274695 /nfs/dbraw/zinc/27/46/95/560274695.db2.gz QMXIDXPUAHUSNW-RYUDHWBXSA-N 1 2 360.370 2.098 20 5 FEBDLO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO[C@@H]1C1CC1 ZINC000450824116 560274721 /nfs/dbraw/zinc/27/47/21/560274721.db2.gz WADWHOWNHGUBNR-SJLPKXTDSA-N 1 2 356.382 2.468 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000451737006 560325768 /nfs/dbraw/zinc/32/57/68/560325768.db2.gz GDUKJAZMIFUIEX-MRXNPFEDSA-N 1 2 354.428 2.004 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000451737006 560325769 /nfs/dbraw/zinc/32/57/69/560325769.db2.gz GDUKJAZMIFUIEX-MRXNPFEDSA-N 1 2 354.428 2.004 20 5 FEBDLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000451873177 560333584 /nfs/dbraw/zinc/33/35/84/560333584.db2.gz OIRRBLFDFKSDNA-NSHDSACASA-N 1 2 374.363 2.010 20 5 FEBDLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000451873177 560333585 /nfs/dbraw/zinc/33/35/85/560333585.db2.gz OIRRBLFDFKSDNA-NSHDSACASA-N 1 2 374.363 2.010 20 5 FEBDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000451927702 560338124 /nfs/dbraw/zinc/33/81/24/560338124.db2.gz KTINUMKZMCGYDQ-GFCCVEGCSA-N 1 2 352.416 2.468 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000451944580 560339692 /nfs/dbraw/zinc/33/96/92/560339692.db2.gz GIBWDEKNCIEMCY-VXGBXAGGSA-N 1 2 350.400 2.392 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000453984691 560419511 /nfs/dbraw/zinc/41/95/11/560419511.db2.gz UDHSKLCZHKYRCJ-IINYFYTJSA-N 1 2 357.370 2.114 20 5 FEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000453987508 560419805 /nfs/dbraw/zinc/41/98/05/560419805.db2.gz YZWFASOJLZVZAK-GFCCVEGCSA-N 1 2 359.386 2.244 20 5 FEBDLO CN(C)[C@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)c1c[nH+]cn1C ZINC000456155335 560508993 /nfs/dbraw/zinc/50/89/93/560508993.db2.gz XQRVHMAKCCMBDD-QAPCUYQASA-N 1 2 371.441 2.337 20 5 FEBDLO Cc1cc(C)c(CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000456862608 560534701 /nfs/dbraw/zinc/53/47/01/560534701.db2.gz PXOWNKUNALUQKJ-UHFFFAOYSA-N 1 2 356.382 2.043 20 5 FEBDLO COc1ccc(CSCC(=O)NC2C[NH+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000457740856 560585293 /nfs/dbraw/zinc/58/52/93/560585293.db2.gz KQDDHDNPMMGZLN-UHFFFAOYSA-N 1 2 353.444 2.045 20 5 FEBDLO CO[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C12CCC2 ZINC000458222409 560609821 /nfs/dbraw/zinc/60/98/21/560609821.db2.gz LHBFWELTCHYVMH-HOTGVXAUSA-N 1 2 356.382 2.468 20 5 FEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(C)(C)CO ZINC000459516838 560691314 /nfs/dbraw/zinc/69/13/14/560691314.db2.gz DRXKYOLKZOULQM-CYBMUJFWSA-N 1 2 365.365 2.349 20 5 FEBDLO COc1cc(C[NH+]2CC(CCO)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000459590466 560696379 /nfs/dbraw/zinc/69/63/79/560696379.db2.gz JVDUKFILSPVGJR-UHFFFAOYSA-N 1 2 364.320 2.359 20 5 FEBDLO Cc1cc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461937901 560788975 /nfs/dbraw/zinc/78/89/75/560788975.db2.gz RHOSKAYFMXJDJS-CQSZACIVSA-N 1 2 364.421 2.175 20 5 FEBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000463859254 560827082 /nfs/dbraw/zinc/82/70/82/560827082.db2.gz WBQLJELVQABXDU-UHFFFAOYSA-N 1 2 358.379 2.463 20 5 FEBDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464680140 560848387 /nfs/dbraw/zinc/84/83/87/560848387.db2.gz WAPPCANLNBADEB-LLVKDONJSA-N 1 2 358.391 2.223 20 5 FEBDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464680140 560848388 /nfs/dbraw/zinc/84/83/88/560848388.db2.gz WAPPCANLNBADEB-LLVKDONJSA-N 1 2 358.391 2.223 20 5 FEBDLO Cc1cc(NCCCO[C@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000465056114 560857659 /nfs/dbraw/zinc/85/76/59/560857659.db2.gz QAHIVNJUOOPHLQ-INIZCTEOSA-N 1 2 358.398 2.390 20 5 FEBDLO Cn1c[nH+]cc1CS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000467446003 560910131 /nfs/dbraw/zinc/91/01/31/560910131.db2.gz UYDUUSNBRVXIJW-UHFFFAOYSA-N 1 2 360.189 2.065 20 5 FEBDLO NC(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(F)c1 ZINC000467488191 560910957 /nfs/dbraw/zinc/91/09/57/560910957.db2.gz PHJCVLAACRZHSB-UHFFFAOYSA-N 1 2 369.312 2.271 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000469846219 560966541 /nfs/dbraw/zinc/96/65/41/560966541.db2.gz JGOVUIJCQRQMJP-JFGNBEQYSA-N 1 2 369.805 2.459 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000469846219 560966542 /nfs/dbraw/zinc/96/65/42/560966542.db2.gz JGOVUIJCQRQMJP-JFGNBEQYSA-N 1 2 369.805 2.459 20 5 FEBDLO CCN1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000471067466 560997381 /nfs/dbraw/zinc/99/73/81/560997381.db2.gz WHNBYMBUDXCMLZ-OAHLLOKOSA-N 1 2 363.393 2.344 20 5 FEBDLO COc1c(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000474417474 561073689 /nfs/dbraw/zinc/07/36/89/561073689.db2.gz SJKIDDCQCUQSHF-AWEZNQCLSA-N 1 2 365.430 2.080 20 5 FEBDLO COC(=O)COc1ccc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000475127367 561091109 /nfs/dbraw/zinc/09/11/09/561091109.db2.gz FAPSBLRJZKJTDC-RWMBFGLXSA-N 1 2 352.387 2.144 20 5 FEBDLO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000475127367 561091110 /nfs/dbraw/zinc/09/11/10/561091110.db2.gz FAPSBLRJZKJTDC-RWMBFGLXSA-N 1 2 352.387 2.144 20 5 FEBDLO COc1c(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000476364278 561117721 /nfs/dbraw/zinc/11/77/21/561117721.db2.gz JTOHAXGQKZBTBE-CYBMUJFWSA-N 1 2 358.398 2.432 20 5 FEBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000531440140 562446241 /nfs/dbraw/zinc/44/62/41/562446241.db2.gz IOEPWHNPQZOETI-UHFFFAOYSA-N 1 2 359.386 2.286 20 5 FEBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000531440140 562446242 /nfs/dbraw/zinc/44/62/42/562446242.db2.gz IOEPWHNPQZOETI-UHFFFAOYSA-N 1 2 359.386 2.286 20 5 FEBDLO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000532990452 562494782 /nfs/dbraw/zinc/49/47/82/562494782.db2.gz VVUYEXRBHWSXCP-GFCCVEGCSA-N 1 2 361.320 2.237 20 5 FEBDLO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000532990452 562494783 /nfs/dbraw/zinc/49/47/83/562494783.db2.gz VVUYEXRBHWSXCP-GFCCVEGCSA-N 1 2 361.320 2.237 20 5 FEBDLO O=C(CCN1CC[NH+](Cc2ccco2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000533227516 562502276 /nfs/dbraw/zinc/50/22/76/562502276.db2.gz QQHIHPVILOCWEF-UHFFFAOYSA-N 1 2 358.398 2.334 20 5 FEBDLO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccsc2)CC1 ZINC000534522949 562535917 /nfs/dbraw/zinc/53/59/17/562535917.db2.gz HIHIXSHBOUEXPA-UHFFFAOYSA-N 1 2 360.439 2.413 20 5 FEBDLO Cc1cc[nH+]cc1N1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000536495652 562576883 /nfs/dbraw/zinc/57/68/83/562576883.db2.gz BNRYVRMZUJIZNM-HNNXBMFYSA-N 1 2 369.425 2.447 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000541314864 562608763 /nfs/dbraw/zinc/60/87/63/562608763.db2.gz MOMSGLDEOGHUII-UHFFFAOYSA-N 1 2 355.354 2.251 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CCO)c1ccccc1Br ZINC000541953951 562624190 /nfs/dbraw/zinc/62/41/90/562624190.db2.gz YFJUWFGNGHQKRO-GFCCVEGCSA-N 1 2 369.219 2.304 20 5 FEBDLO COC(=O)C[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000604478789 568299994 /nfs/dbraw/zinc/29/99/94/568299994.db2.gz QAVZCVGVNIXFFJ-CQSZACIVSA-N 1 2 372.381 2.338 20 5 FEBDLO Cn1c[nH+]cc1CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809850802 674516715 /nfs/dbraw/zinc/51/67/15/674516715.db2.gz HXXQBGFHEBSUJU-UHFFFAOYSA-N 1 2 365.198 2.114 20 5 FEBDLO O=[N+]([O-])c1cc(N2CC[C@H](CNc3cccc[nH+]3)C2)ccc1-c1nn[nH]n1 ZINC000826498495 607841499 /nfs/dbraw/zinc/84/14/99/607841499.db2.gz XHGCKCWFECBYRB-GFCCVEGCSA-N 1 2 366.385 2.108 20 5 FEBDLO C[C@H](CC[S@@](C)=O)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000560545967 674598652 /nfs/dbraw/zinc/59/86/52/674598652.db2.gz RJXFYHXTYCIZGP-BKNZZOIVSA-N 1 2 350.444 2.164 20 5 FEBDLO CCCCCC[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000071809313 670494412 /nfs/dbraw/zinc/49/44/12/670494412.db2.gz LPEGZSARVJUUJG-UHFFFAOYSA-N 1 2 355.460 2.481 20 5 FEBDLO C[C@@H]1CN=C(N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)S1 ZINC000079496669 670605669 /nfs/dbraw/zinc/60/56/69/670605669.db2.gz NRZHSXLOZVYVST-CYBMUJFWSA-N 1 2 350.444 2.083 20 5 FEBDLO Cn1ccnc1[C@@H]([NH2+]CCSCCCO)c1cccc([N+](=O)[O-])c1 ZINC000578252831 671652069 /nfs/dbraw/zinc/65/20/69/671652069.db2.gz LMLXWXUKBPQTEO-HNNXBMFYSA-N 1 2 350.444 2.123 20 5 FEBDLO C[C@H](CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[S@](C)=O ZINC000582980434 672051785 /nfs/dbraw/zinc/05/17/85/672051785.db2.gz HBGMOUBPDGURKK-PIQRMGSASA-N 1 2 350.444 2.164 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000593009707 672863288 /nfs/dbraw/zinc/86/32/88/672863288.db2.gz DHPFBTMDIRQFHS-OLZOCXBDSA-N 1 2 362.304 2.269 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000593009707 672863293 /nfs/dbraw/zinc/86/32/93/672863293.db2.gz DHPFBTMDIRQFHS-OLZOCXBDSA-N 1 2 362.304 2.269 20 5 FEBDLO CC(C)=CCC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000595289982 673216917 /nfs/dbraw/zinc/21/69/17/673216917.db2.gz RXRIRQORHIBOQU-UHFFFAOYSA-N 1 2 353.444 2.257 20 5 FEBDLO C[C@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000596540342 673392386 /nfs/dbraw/zinc/39/23/86/673392386.db2.gz KVNFUDDOHNGEFP-MCIONIFRSA-N 1 2 350.419 2.064 20 5 FEBDLO C[C@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000596540342 673392389 /nfs/dbraw/zinc/39/23/89/673392389.db2.gz KVNFUDDOHNGEFP-MCIONIFRSA-N 1 2 350.419 2.064 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000596868522 673420958 /nfs/dbraw/zinc/42/09/58/673420958.db2.gz ZZGXOJIEMZXZBA-KGLIPLIRSA-N 1 2 350.419 2.442 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000596868522 673420960 /nfs/dbraw/zinc/42/09/60/673420960.db2.gz ZZGXOJIEMZXZBA-KGLIPLIRSA-N 1 2 350.419 2.442 20 5 FEBDLO COc1ccc(S(=O)(=O)Nc2ccccc2C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000733868400 673441367 /nfs/dbraw/zinc/44/13/67/673441367.db2.gz FXQRVTGWKXHBOB-UHFFFAOYSA-N 1 2 365.411 2.466 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc(C[NH+](C)C)ccn2)c1 ZINC000542713804 673599176 /nfs/dbraw/zinc/59/91/76/673599176.db2.gz KIMPIKOJPQHDTA-UHFFFAOYSA-N 1 2 364.427 2.469 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCCCCCCO)CC1 ZINC000743841025 673773469 /nfs/dbraw/zinc/77/34/69/673773469.db2.gz YPLNNELDQUSUMU-UHFFFAOYSA-N 1 2 355.460 2.357 20 5 FEBDLO CC1(C)CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[N@@H+]1CCO ZINC000614894489 676195457 /nfs/dbraw/zinc/19/54/57/676195457.db2.gz GKUMDAYVCKPRMB-UHFFFAOYSA-N 1 2 363.439 2.338 20 5 FEBDLO CC1(C)CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[N@H+]1CCO ZINC000614894489 676195459 /nfs/dbraw/zinc/19/54/59/676195459.db2.gz GKUMDAYVCKPRMB-UHFFFAOYSA-N 1 2 363.439 2.338 20 5 FEBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000603284100 673922288 /nfs/dbraw/zinc/92/22/88/673922288.db2.gz QACWDNRNFPMGTD-UHFFFAOYSA-N 1 2 352.416 2.032 20 5 FEBDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)CO1 ZINC000820827953 675391983 /nfs/dbraw/zinc/39/19/83/675391983.db2.gz QCWVDSMUPVFBEK-WDEREUQCSA-N 1 2 356.810 2.479 20 5 FEBDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)CO1 ZINC000820827953 675391986 /nfs/dbraw/zinc/39/19/86/675391986.db2.gz QCWVDSMUPVFBEK-WDEREUQCSA-N 1 2 356.810 2.479 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCO[C@@H]1C(F)(F)F ZINC000912080842 685311051 /nfs/dbraw/zinc/31/10/51/685311051.db2.gz MBCIMUZHSYRMHB-CYBMUJFWSA-N 1 2 356.260 2.141 20 5 FEBDLO COc1cc(Cl)ccc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002786531 680507907 /nfs/dbraw/zinc/50/79/07/680507907.db2.gz BIUYWGHBTGHXLT-HUUCEWRRSA-N 1 2 367.833 2.094 20 5 FEBDLO C[C@@H](C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc([N+](=O)[O-])cc1F ZINC000767597779 680918001 /nfs/dbraw/zinc/91/80/01/680918001.db2.gz MOYARJFUGQOLJF-BNOWGMLFSA-N 1 2 352.362 2.244 20 5 FEBDLO C[C@@H](C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc([N+](=O)[O-])cc1F ZINC000767597779 680918002 /nfs/dbraw/zinc/91/80/02/680918002.db2.gz MOYARJFUGQOLJF-BNOWGMLFSA-N 1 2 352.362 2.244 20 5 FEBDLO C[NH+]1CCC(ONC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000773549634 681147628 /nfs/dbraw/zinc/14/76/28/681147628.db2.gz DVVGOTHNVAHPRE-UHFFFAOYSA-N 1 2 359.835 2.482 20 5 FEBDLO CC(=O)NCC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774634442 681212805 /nfs/dbraw/zinc/21/28/05/681212805.db2.gz JDOMGWLEPPEIHS-UHFFFAOYSA-N 1 2 365.821 2.404 20 5 FEBDLO C[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847181432 681341325 /nfs/dbraw/zinc/34/13/25/681341325.db2.gz ISOKAFHDNNWYMM-SDDRHHMPSA-N 1 2 355.822 2.476 20 5 FEBDLO C[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847181432 681341327 /nfs/dbraw/zinc/34/13/27/681341327.db2.gz ISOKAFHDNNWYMM-SDDRHHMPSA-N 1 2 355.822 2.476 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000778090841 681570162 /nfs/dbraw/zinc/57/01/62/681570162.db2.gz IQXPPHXTPROCOQ-JTQLQIEISA-N 1 2 370.818 2.046 20 5 FEBDLO C/C(=C\C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000913385435 685476151 /nfs/dbraw/zinc/47/61/51/685476151.db2.gz AUPFMQKMHHLANT-IZZDOVSWSA-N 1 2 371.796 2.282 20 5 FEBDLO Cc1nn(C[N@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000779868388 681762395 /nfs/dbraw/zinc/76/23/95/681762395.db2.gz OTWJDIDKJCYQLO-DGCLKSJQSA-N 1 2 353.423 2.292 20 5 FEBDLO Cc1nn(C[N@@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000779868388 681762400 /nfs/dbraw/zinc/76/24/00/681762400.db2.gz OTWJDIDKJCYQLO-DGCLKSJQSA-N 1 2 353.423 2.292 20 5 FEBDLO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000863295237 683699593 /nfs/dbraw/zinc/69/95/93/683699593.db2.gz WJZALGPGIIYDIZ-NEPJUHHUSA-N 1 2 362.411 2.339 20 5 FEBDLO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000863295237 683699597 /nfs/dbraw/zinc/69/95/97/683699597.db2.gz WJZALGPGIIYDIZ-NEPJUHHUSA-N 1 2 362.411 2.339 20 5 FEBDLO CO[C@@H]1C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])[C@](C)(CO)C1 ZINC000931471549 684287581 /nfs/dbraw/zinc/28/75/81/684287581.db2.gz SFXAHKOVZFNHJZ-HZMBPMFUSA-N 1 2 359.220 2.329 20 5 FEBDLO CO[C@@H]1C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])[C@](C)(CO)C1 ZINC000931471549 684287587 /nfs/dbraw/zinc/28/75/87/684287587.db2.gz SFXAHKOVZFNHJZ-HZMBPMFUSA-N 1 2 359.220 2.329 20 5 FEBDLO CC1(F)CC[NH+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000872690537 685005761 /nfs/dbraw/zinc/00/57/61/685005761.db2.gz GSOJJNMIOJYQGP-UHFFFAOYSA-N 1 2 350.350 2.145 20 5 FEBDLO COc1c(O)ccc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC000892003793 689138134 /nfs/dbraw/zinc/13/81/34/689138134.db2.gz FBKVIZUMFHZCTB-RNCFNFMXSA-N 1 2 350.293 2.197 20 5 FEBDLO COc1c(O)ccc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC000892003793 689138136 /nfs/dbraw/zinc/13/81/36/689138136.db2.gz FBKVIZUMFHZCTB-RNCFNFMXSA-N 1 2 350.293 2.197 20 5 FEBDLO C[C@H]1C[N@H+](CCOC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000800168092 674028826 /nfs/dbraw/zinc/02/88/26/674028826.db2.gz FQFZYBPZISAGIQ-LBPRGKRZSA-N 1 2 372.805 2.281 20 5 FEBDLO C[C@H]1C[N@@H+](CCOC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000800168092 674028829 /nfs/dbraw/zinc/02/88/29/674028829.db2.gz FQFZYBPZISAGIQ-LBPRGKRZSA-N 1 2 372.805 2.281 20 5 FEBDLO CN(C(=O)CSc1[nH+]cnc2c1cnn2C)c1ccc([N+](=O)[O-])cc1 ZINC000011685772 539533447 /nfs/dbraw/zinc/53/34/47/539533447.db2.gz GQBYEDUXHYJNSE-UHFFFAOYSA-N 1 2 358.383 2.027 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000016312367 539629761 /nfs/dbraw/zinc/62/97/61/539629761.db2.gz CYNPBNRPPPITMV-UHFFFAOYSA-N 1 2 369.425 2.055 20 5 FEBDLO O=c1[nH]cnc2cc(NCCc3cn4ccccc4[nH+]3)c([N+](=O)[O-])cc21 ZINC000023618092 539716505 /nfs/dbraw/zinc/71/65/05/539716505.db2.gz ILFOFKJUVAEPDB-UHFFFAOYSA-N 1 2 350.338 2.134 20 5 FEBDLO O=[N+]([O-])c1ccc(NCCNc2nc(NCCO)c3ccccc3[nH+]2)cc1 ZINC000025571170 539763750 /nfs/dbraw/zinc/76/37/50/539763750.db2.gz LHRUVHUORWFLSY-UHFFFAOYSA-N 1 2 368.397 2.466 20 5 FEBDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000025909513 539771867 /nfs/dbraw/zinc/77/18/67/539771867.db2.gz CUHGAVWWLQDURQ-QGZVFWFLSA-N 1 2 361.423 2.272 20 5 FEBDLO C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000025909513 539771870 /nfs/dbraw/zinc/77/18/70/539771870.db2.gz CUHGAVWWLQDURQ-QGZVFWFLSA-N 1 2 361.423 2.272 20 5 FEBDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000026207956 539780570 /nfs/dbraw/zinc/78/05/70/539780570.db2.gz JWXIDSHVNZQNRK-UHFFFAOYSA-N 1 2 357.366 2.452 20 5 FEBDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000026207956 539780573 /nfs/dbraw/zinc/78/05/73/539780573.db2.gz JWXIDSHVNZQNRK-UHFFFAOYSA-N 1 2 357.366 2.452 20 5 FEBDLO COC(=O)c1ccc([C@@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)o1 ZINC000026595086 539790188 /nfs/dbraw/zinc/79/01/88/539790188.db2.gz MFIJJOKMTYVHJO-GFCCVEGCSA-N 1 2 360.370 2.253 20 5 FEBDLO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccco1 ZINC000026448586 539786116 /nfs/dbraw/zinc/78/61/16/539786116.db2.gz SZWKYKUFDIORSJ-UHFFFAOYSA-N 1 2 363.370 2.284 20 5 FEBDLO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccco1 ZINC000026448586 539786121 /nfs/dbraw/zinc/78/61/21/539786121.db2.gz SZWKYKUFDIORSJ-UHFFFAOYSA-N 1 2 363.370 2.284 20 5 FEBDLO O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)NCCC1=CCCCC1 ZINC000026482981 539787561 /nfs/dbraw/zinc/78/75/61/539787561.db2.gz WBTKOYJKVQYZMC-UHFFFAOYSA-N 1 2 373.457 2.119 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026483900 539788212 /nfs/dbraw/zinc/78/82/12/539788212.db2.gz QBFJMWLIVBSTFM-AWEZNQCLSA-N 1 2 355.398 2.139 20 5 FEBDLO CN(C(=O)C[NH+]1CCN(c2ccccc2O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000028906632 539839028 /nfs/dbraw/zinc/83/90/28/539839028.db2.gz OSFQJTVXVYUYMU-UHFFFAOYSA-N 1 2 370.409 2.085 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000029085898 539842312 /nfs/dbraw/zinc/84/23/12/539842312.db2.gz FIFXBLGEYSVRLY-LJQANCHMSA-N 1 2 369.421 2.327 20 5 FEBDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000031304334 539904274 /nfs/dbraw/zinc/90/42/74/539904274.db2.gz YWHLWMMINHDXOM-GFCCVEGCSA-N 1 2 354.838 2.285 20 5 FEBDLO C[C@@H]1CCCN(c2ccc(C(=O)NCCn3cc[nH+]c3)cc2[N+](=O)[O-])C1 ZINC000043947794 540115659 /nfs/dbraw/zinc/11/56/59/540115659.db2.gz YXTRLARQUNPGSL-CQSZACIVSA-N 1 2 357.414 2.458 20 5 FEBDLO CC1CCN(c2ccc(C(=O)NCCn3cc[nH+]c3)cc2[N+](=O)[O-])CC1 ZINC000043947791 540115906 /nfs/dbraw/zinc/11/59/06/540115906.db2.gz VYGMHXOAAUVXDV-UHFFFAOYSA-N 1 2 357.414 2.458 20 5 FEBDLO COc1ccc(C[NH+]2CCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)cc1F ZINC000047331005 540304109 /nfs/dbraw/zinc/30/41/09/540304109.db2.gz NTVMMUMFXQIKKJ-UHFFFAOYSA-N 1 2 363.393 2.107 20 5 FEBDLO CN(C)c1[nH+]cccc1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000052075284 540453295 /nfs/dbraw/zinc/45/32/95/540453295.db2.gz JYBUUIWUBUJDGW-UHFFFAOYSA-N 1 2 350.400 2.071 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000053266038 540521435 /nfs/dbraw/zinc/52/14/35/540521435.db2.gz YRNUGZGKPBEBGP-UHFFFAOYSA-N 1 2 361.423 2.453 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000053266038 540521439 /nfs/dbraw/zinc/52/14/39/540521439.db2.gz YRNUGZGKPBEBGP-UHFFFAOYSA-N 1 2 361.423 2.453 20 5 FEBDLO CC(=O)N1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000053815489 540556559 /nfs/dbraw/zinc/55/65/59/540556559.db2.gz DINGUQSZVPWEHN-LBPRGKRZSA-N 1 2 359.386 2.260 20 5 FEBDLO CC(=O)N1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000053815489 540556563 /nfs/dbraw/zinc/55/65/63/540556563.db2.gz DINGUQSZVPWEHN-LBPRGKRZSA-N 1 2 359.386 2.260 20 5 FEBDLO Cc1ccc2[nH+]c(CNC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)cn2c1 ZINC000057267941 540783750 /nfs/dbraw/zinc/78/37/50/540783750.db2.gz UFSWNXZNSVEJCP-UHFFFAOYSA-N 1 2 354.322 2.210 20 5 FEBDLO O=C(NCc1ccccc1CO)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000066049737 541279941 /nfs/dbraw/zinc/27/99/41/541279941.db2.gz LUFGVGXULIZQRP-UHFFFAOYSA-N 1 2 352.350 2.203 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000066472219 541322824 /nfs/dbraw/zinc/32/28/24/541322824.db2.gz LCHINONPZHFSTJ-OAHLLOKOSA-N 1 2 365.455 2.318 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000067053384 541410555 /nfs/dbraw/zinc/41/05/55/541410555.db2.gz OZRVZSWNGIQBDF-AWEZNQCLSA-N 1 2 370.409 2.453 20 5 FEBDLO Cc1nc(C2CC[NH+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)no1 ZINC000067378974 541451879 /nfs/dbraw/zinc/45/18/79/541451879.db2.gz TXQGXGJHWRFUBT-INIZCTEOSA-N 1 2 371.397 2.271 20 5 FEBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000067426287 541462860 /nfs/dbraw/zinc/46/28/60/541462860.db2.gz YOOCHUIQWUMEIY-UHFFFAOYSA-N 1 2 365.349 2.035 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068346106 541579772 /nfs/dbraw/zinc/57/97/72/541579772.db2.gz VMZLEFDETGRTCB-UHFFFAOYSA-N 1 2 361.423 2.197 20 5 FEBDLO COc1cc(OCC(=O)NCCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000068422996 541590214 /nfs/dbraw/zinc/59/02/14/541590214.db2.gz LNOYUSBSYMUFLE-UHFFFAOYSA-N 1 2 374.397 2.386 20 5 FEBDLO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])nc2)[NH+]2CCOCC2)cc1 ZINC000072521983 541826398 /nfs/dbraw/zinc/82/63/98/541826398.db2.gz MEPCKUOAYZGCRE-QGZVFWFLSA-N 1 2 358.398 2.484 20 5 FEBDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072632577 541841981 /nfs/dbraw/zinc/84/19/81/541841981.db2.gz DUVMKKDBRKGIBL-MRXNPFEDSA-N 1 2 362.430 2.175 20 5 FEBDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072632577 541841984 /nfs/dbraw/zinc/84/19/84/541841984.db2.gz DUVMKKDBRKGIBL-MRXNPFEDSA-N 1 2 362.430 2.175 20 5 FEBDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000038312522 205040450 /nfs/dbraw/zinc/04/04/50/205040450.db2.gz CUHGAVWWLQDURQ-KRWDZBQOSA-N 1 2 361.423 2.272 20 5 FEBDLO C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000038312522 205040454 /nfs/dbraw/zinc/04/04/54/205040454.db2.gz CUHGAVWWLQDURQ-KRWDZBQOSA-N 1 2 361.423 2.272 20 5 FEBDLO NC(=O)c1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000046577462 205137583 /nfs/dbraw/zinc/13/75/83/205137583.db2.gz XCQZQANKECSKLI-KRWDZBQOSA-N 1 2 359.357 2.406 20 5 FEBDLO NC(=O)c1ccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000046577462 205137588 /nfs/dbraw/zinc/13/75/88/205137588.db2.gz XCQZQANKECSKLI-KRWDZBQOSA-N 1 2 359.357 2.406 20 5 FEBDLO CCN(CC)C(=O)C[NH+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000076550020 542291812 /nfs/dbraw/zinc/29/18/12/542291812.db2.gz XFUDCDXQTYEADK-UHFFFAOYSA-N 1 2 371.441 2.133 20 5 FEBDLO COCc1cc([N+](=O)[O-])ccc1NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000080543917 542594558 /nfs/dbraw/zinc/59/45/58/542594558.db2.gz HTFCKTLIGDQDEQ-SFHVURJKSA-N 1 2 350.463 2.425 20 5 FEBDLO C[NH+]1CCN(C[C@@H]2CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000087357096 542744760 /nfs/dbraw/zinc/74/47/60/542744760.db2.gz JPIWIMLCUZAFOL-SFHVURJKSA-N 1 2 374.485 2.013 20 5 FEBDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)S1 ZINC000097600398 132305631 /nfs/dbraw/zinc/30/56/31/132305631.db2.gz POHHHIAQYKODBD-SNVBAGLBSA-N 1 2 351.388 2.116 20 5 FEBDLO Cc1c([N+](=O)[O-])cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000016638102 132882571 /nfs/dbraw/zinc/88/25/71/132882571.db2.gz RGVYHTHDRFZPJG-UHFFFAOYSA-N 1 2 371.353 2.169 20 5 FEBDLO O=C1CN(c2ccc(Nc3ccc([N+](=O)[O-])c4cccnc34)c[nH+]2)CCN1 ZINC000092606632 542874764 /nfs/dbraw/zinc/87/47/64/542874764.db2.gz XJTCNHJOVSPILH-UHFFFAOYSA-N 1 2 364.365 2.218 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093103048 542908481 /nfs/dbraw/zinc/90/84/81/542908481.db2.gz ICYTWFAUQFZYPZ-HIFRSBDPSA-N 1 2 362.407 2.432 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093103048 542908485 /nfs/dbraw/zinc/90/84/85/542908485.db2.gz ICYTWFAUQFZYPZ-HIFRSBDPSA-N 1 2 362.407 2.432 20 5 FEBDLO COc1cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000093611847 542936518 /nfs/dbraw/zinc/93/65/18/542936518.db2.gz JFTJRWYVNFKCKN-ZDUSSCGKSA-N 1 2 350.293 2.111 20 5 FEBDLO COc1cc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000093611847 542936520 /nfs/dbraw/zinc/93/65/20/542936520.db2.gz JFTJRWYVNFKCKN-ZDUSSCGKSA-N 1 2 350.293 2.111 20 5 FEBDLO O=[N+]([O-])c1ccc(CCNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)cc1 ZINC000110263892 543353772 /nfs/dbraw/zinc/35/37/72/543353772.db2.gz HULNCGATZOKFTF-OAHLLOKOSA-N 1 2 357.414 2.248 20 5 FEBDLO O=[N+]([O-])c1ccc(CCNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)cc1 ZINC000110263892 543353775 /nfs/dbraw/zinc/35/37/75/543353775.db2.gz HULNCGATZOKFTF-OAHLLOKOSA-N 1 2 357.414 2.248 20 5 FEBDLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000111124317 543382377 /nfs/dbraw/zinc/38/23/77/543382377.db2.gz WTHXRJLBGNHMKV-GOSISDBHSA-N 1 2 369.421 2.268 20 5 FEBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(n3ccnc3)CC2)c([N+](=O)[O-])c1 ZINC000111244767 543389461 /nfs/dbraw/zinc/38/94/61/543389461.db2.gz NVHDOUGYACPCOL-UHFFFAOYSA-N 1 2 373.413 2.466 20 5 FEBDLO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1c(F)cccc1F ZINC000115715734 543583231 /nfs/dbraw/zinc/58/32/31/543583231.db2.gz WSGSTVOWXYOOAC-ZDUSSCGKSA-N 1 2 366.324 2.006 20 5 FEBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000125984988 543912137 /nfs/dbraw/zinc/91/21/37/543912137.db2.gz FCXYQIFODOEQDP-QGZVFWFLSA-N 1 2 356.382 2.395 20 5 FEBDLO CCOC(=O)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000128461484 544054317 /nfs/dbraw/zinc/05/43/17/544054317.db2.gz HLDWZNPWWWWYOS-UHFFFAOYSA-N 1 2 353.350 2.090 20 5 FEBDLO CCOC(=O)C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000128461484 544054319 /nfs/dbraw/zinc/05/43/19/544054319.db2.gz HLDWZNPWWWWYOS-UHFFFAOYSA-N 1 2 353.350 2.090 20 5 FEBDLO CN(C(=O)C[N@@H+]1CCc2ccccc2[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000130798611 544165514 /nfs/dbraw/zinc/16/55/14/544165514.db2.gz BUNQULNITCZDHR-SFHVURJKSA-N 1 2 355.394 2.149 20 5 FEBDLO CN(C(=O)C[N@H+]1CCc2ccccc2[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000130798611 544165517 /nfs/dbraw/zinc/16/55/17/544165517.db2.gz BUNQULNITCZDHR-SFHVURJKSA-N 1 2 355.394 2.149 20 5 FEBDLO O=C(C[N@@H+]1CCS[C@H]2COCC[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000135527641 544350798 /nfs/dbraw/zinc/35/07/98/544350798.db2.gz ZGBCSHCUDPPYSX-JSGCOSHPSA-N 1 2 371.846 2.393 20 5 FEBDLO O=C(C[N@H+]1CCS[C@H]2COCC[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000135527641 544350799 /nfs/dbraw/zinc/35/07/99/544350799.db2.gz ZGBCSHCUDPPYSX-JSGCOSHPSA-N 1 2 371.846 2.393 20 5 FEBDLO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000152439727 544653603 /nfs/dbraw/zinc/65/36/03/544653603.db2.gz PKEDPRXKZXLDQI-AWEZNQCLSA-N 1 2 356.382 2.154 20 5 FEBDLO O=C(C[N@@H+]1CC[C@H](Oc2ccncc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000154120228 544867144 /nfs/dbraw/zinc/86/71/44/544867144.db2.gz DDZPSQLOUPMEJE-KRWDZBQOSA-N 1 2 368.393 2.032 20 5 FEBDLO O=C(C[N@H+]1CC[C@H](Oc2ccncc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000154120228 544867147 /nfs/dbraw/zinc/86/71/47/544867147.db2.gz DDZPSQLOUPMEJE-KRWDZBQOSA-N 1 2 368.393 2.032 20 5 FEBDLO O=C(NCc1ccco1)[C@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154269120 544884208 /nfs/dbraw/zinc/88/42/08/544884208.db2.gz SLSOKACZPCNNHI-IAGOWNOFSA-N 1 2 359.382 2.002 20 5 FEBDLO O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154269120 544884213 /nfs/dbraw/zinc/88/42/13/544884213.db2.gz SLSOKACZPCNNHI-IAGOWNOFSA-N 1 2 359.382 2.002 20 5 FEBDLO CCOc1ccc(NC(=O)C[NH+]2[C@H](C)CC(O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000191160259 328252213 /nfs/dbraw/zinc/25/22/13/328252213.db2.gz GTILSECGLDTYAI-VXGBXAGGSA-N 1 2 351.403 2.166 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000191324490 328260192 /nfs/dbraw/zinc/26/01/92/328260192.db2.gz HBVJNPFTXRCWES-UONOGXRCSA-N 1 2 350.419 2.442 20 5 FEBDLO Cc1c(C(=O)Nc2ccc[nH+]c2N(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000192601450 328328149 /nfs/dbraw/zinc/32/81/49/328328149.db2.gz XJWNDGCJHQEONV-UHFFFAOYSA-N 1 2 367.369 2.197 20 5 FEBDLO NC(=O)C1CCN(c2[nH+]cccc2CNc2ccccc2[N+](=O)[O-])CC1 ZINC000078445548 325046170 /nfs/dbraw/zinc/04/61/70/325046170.db2.gz XAVGSDUDVNHBCR-UHFFFAOYSA-N 1 2 355.398 2.304 20 5 FEBDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079940723 325110550 /nfs/dbraw/zinc/11/05/50/325110550.db2.gz IVZWAXOKAJSFNR-UHFFFAOYSA-N 1 2 361.320 2.018 20 5 FEBDLO C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000080118634 325118399 /nfs/dbraw/zinc/11/83/99/325118399.db2.gz DUZUNAUFFLQASW-KGLIPLIRSA-N 1 2 364.446 2.238 20 5 FEBDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)S1 ZINC000087391901 325281263 /nfs/dbraw/zinc/28/12/63/325281263.db2.gz MRPHDKJOVZLAPU-ZDUSSCGKSA-N 1 2 362.455 2.163 20 5 FEBDLO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605269 325298622 /nfs/dbraw/zinc/29/86/22/325298622.db2.gz WYYZUBVUBVLJFH-GFCCVEGCSA-N 1 2 368.393 2.079 20 5 FEBDLO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605269 325298624 /nfs/dbraw/zinc/29/86/24/325298624.db2.gz WYYZUBVUBVLJFH-GFCCVEGCSA-N 1 2 368.393 2.079 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091084558 325373565 /nfs/dbraw/zinc/37/35/65/325373565.db2.gz JXDSXSGPFMKPEB-GFCCVEGCSA-N 1 2 356.373 2.195 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCN(CC(F)F)CC1 ZINC000091084558 325373566 /nfs/dbraw/zinc/37/35/66/325373566.db2.gz JXDSXSGPFMKPEB-GFCCVEGCSA-N 1 2 356.373 2.195 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091083937 325373803 /nfs/dbraw/zinc/37/38/03/325373803.db2.gz IVUREOVXQWUTGH-UHFFFAOYSA-N 1 2 356.373 2.115 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCN(CC(F)F)CC1 ZINC000091083937 325373806 /nfs/dbraw/zinc/37/38/06/325373806.db2.gz IVUREOVXQWUTGH-UHFFFAOYSA-N 1 2 356.373 2.115 20 5 FEBDLO CC(C)C(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000108181249 325638448 /nfs/dbraw/zinc/63/84/48/325638448.db2.gz UMUSAXJPHVYTND-ZDUSSCGKSA-N 1 2 362.430 2.158 20 5 FEBDLO COCCOC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000116886197 326039926 /nfs/dbraw/zinc/03/99/26/326039926.db2.gz KGXSAOTXNSFLPG-UHFFFAOYSA-N 1 2 371.821 2.314 20 5 FEBDLO CCc1noc(C)c1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000119357195 326153210 /nfs/dbraw/zinc/15/32/10/326153210.db2.gz QDDZBLSPQPNMLZ-UHFFFAOYSA-N 1 2 358.398 2.412 20 5 FEBDLO Cc1cc[nH+]c(N2CCN([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000119953945 326215476 /nfs/dbraw/zinc/21/54/76/326215476.db2.gz OLZVEMJWEVUBCL-HNNXBMFYSA-N 1 2 369.425 2.447 20 5 FEBDLO Cc1cc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(N)c([N+](=O)[O-])c1 ZINC000120933427 326300333 /nfs/dbraw/zinc/30/03/33/326300333.db2.gz WVKDVTCNVXQORF-ZDUSSCGKSA-N 1 2 357.414 2.314 20 5 FEBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000158320263 326892200 /nfs/dbraw/zinc/89/22/00/326892200.db2.gz UMQORQBZWOKBSD-LLVKDONJSA-N 1 2 361.427 2.153 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171024095 327113258 /nfs/dbraw/zinc/11/32/58/327113258.db2.gz RBNRKUDYBZAXOG-UHFFFAOYSA-N 1 2 360.439 2.328 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171024095 327113259 /nfs/dbraw/zinc/11/32/59/327113259.db2.gz RBNRKUDYBZAXOG-UHFFFAOYSA-N 1 2 360.439 2.328 20 5 FEBDLO CS(=O)(=O)c1ccc(N2CC[NH+]([C@@H]3C=CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000171730380 327157732 /nfs/dbraw/zinc/15/77/32/327157732.db2.gz QJJCHMRUBQMGQW-CQSZACIVSA-N 1 2 365.455 2.229 20 5 FEBDLO C[C@@H]([NH2+][C@H](C)c1nnc2ccccn21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000172611235 327211571 /nfs/dbraw/zinc/21/15/71/327211571.db2.gz HBZKEUAHLFUWEW-VXGBXAGGSA-N 1 2 354.370 2.315 20 5 FEBDLO CC(=O)Nc1nc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000173473527 327260006 /nfs/dbraw/zinc/26/00/06/327260006.db2.gz FUFPWKZFCDRWRK-LLVKDONJSA-N 1 2 362.415 2.091 20 5 FEBDLO CC(=O)Nc1nc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000173473527 327260007 /nfs/dbraw/zinc/26/00/07/327260007.db2.gz FUFPWKZFCDRWRK-LLVKDONJSA-N 1 2 362.415 2.091 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCc1cn2ccccc2[nH+]1 ZINC000175069985 327372018 /nfs/dbraw/zinc/37/20/18/327372018.db2.gz WWYHBHMUQDOHSO-UHFFFAOYSA-N 1 2 374.422 2.380 20 5 FEBDLO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1SC ZINC000264224803 329002009 /nfs/dbraw/zinc/00/20/09/329002009.db2.gz WUMUTZIMIPQZCG-SNVBAGLBSA-N 1 2 350.400 2.340 20 5 FEBDLO COC(=O)CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000265054253 329086438 /nfs/dbraw/zinc/08/64/38/329086438.db2.gz QEIFNSVDPMZDJT-UHFFFAOYSA-N 1 2 360.370 2.194 20 5 FEBDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc43)CC2)S1 ZINC000266683871 329249147 /nfs/dbraw/zinc/24/91/47/329249147.db2.gz MFRVALIMNGTCDD-NSHDSACASA-N 1 2 373.438 2.325 20 5 FEBDLO C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@@H](C)[NH+]1CCOCC1 ZINC000273929390 329903334 /nfs/dbraw/zinc/90/33/34/329903334.db2.gz HOUBCTGNDYWQMX-CHWSQXEVSA-N 1 2 367.421 2.237 20 5 FEBDLO C[C@@H](CO)N(CC1CCC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000275230678 330024520 /nfs/dbraw/zinc/02/45/20/330024520.db2.gz MPLUFZDJJXCADH-ZDUSSCGKSA-N 1 2 358.398 2.404 20 5 FEBDLO Cc1ccc(NC(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000275486430 330054290 /nfs/dbraw/zinc/05/42/90/330054290.db2.gz ISDDJRSJIYVSEK-MRXNPFEDSA-N 1 2 362.430 2.478 20 5 FEBDLO Cc1ccc(NC(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000275486430 330054292 /nfs/dbraw/zinc/05/42/92/330054292.db2.gz ISDDJRSJIYVSEK-MRXNPFEDSA-N 1 2 362.430 2.478 20 5 FEBDLO Cc1c(NC(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000275655596 330074954 /nfs/dbraw/zinc/07/49/54/330074954.db2.gz KVDLGXBMZFQFAQ-HNNXBMFYSA-N 1 2 362.430 2.478 20 5 FEBDLO Cc1c(NC(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000275655596 330074955 /nfs/dbraw/zinc/07/49/55/330074955.db2.gz KVDLGXBMZFQFAQ-HNNXBMFYSA-N 1 2 362.430 2.478 20 5 FEBDLO CCc1cc(NCCc2nnc(N)o2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000276170931 330125848 /nfs/dbraw/zinc/12/58/48/330125848.db2.gz SBKWGIZKXSGKRI-UHFFFAOYSA-N 1 2 355.358 2.234 20 5 FEBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000276486459 330157230 /nfs/dbraw/zinc/15/72/30/330157230.db2.gz UGQNGBNMQRCOLM-LYRGGWFBSA-N 1 2 362.382 2.235 20 5 FEBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000276486459 330157232 /nfs/dbraw/zinc/15/72/32/330157232.db2.gz UGQNGBNMQRCOLM-LYRGGWFBSA-N 1 2 362.382 2.235 20 5 FEBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367084510 330215323 /nfs/dbraw/zinc/21/53/23/330215323.db2.gz MWJLPIFLWFJNBU-KRWDZBQOSA-N 1 2 367.409 2.351 20 5 FEBDLO CCOc1ccc(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000414049683 330257495 /nfs/dbraw/zinc/25/74/95/330257495.db2.gz IEBPTESUICURIR-UHFFFAOYSA-N 1 2 365.430 2.176 20 5 FEBDLO Cc1nc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000156921972 545676726 /nfs/dbraw/zinc/67/67/26/545676726.db2.gz LBLWYNPHFIVPGU-NSHDSACASA-N 1 2 359.386 2.493 20 5 FEBDLO C[NH+](C)CCOc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000159294617 545940512 /nfs/dbraw/zinc/94/05/12/545940512.db2.gz RYRHHHYVHOQQGA-UHFFFAOYSA-N 1 2 359.382 2.171 20 5 FEBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C1([NH+]2CCOCC2)CCCC1 ZINC000175923158 546372292 /nfs/dbraw/zinc/37/22/92/546372292.db2.gz GBROKOQMDPZJKO-GFCCVEGCSA-N 1 2 353.444 2.420 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000176149338 546413370 /nfs/dbraw/zinc/41/33/70/546413370.db2.gz NLKHBWNKFAKMMX-QLFBSQMISA-N 1 2 364.446 2.373 20 5 FEBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000178064216 546734013 /nfs/dbraw/zinc/73/40/13/546734013.db2.gz ZXNVMFWODAKYRC-UHFFFAOYSA-N 1 2 362.349 2.358 20 5 FEBDLO O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178955031 546880206 /nfs/dbraw/zinc/88/02/06/546880206.db2.gz BCSFBTQYTKLMRD-XYPHTWIQSA-N 1 2 368.393 2.468 20 5 FEBDLO CCOC(=O)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)c1ccccc1 ZINC000180165417 547062041 /nfs/dbraw/zinc/06/20/41/547062041.db2.gz BWSKLHDMCAAZNL-HNNXBMFYSA-N 1 2 373.409 2.383 20 5 FEBDLO CCOC(=O)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)c1ccccc1 ZINC000180165417 547062042 /nfs/dbraw/zinc/06/20/42/547062042.db2.gz BWSKLHDMCAAZNL-HNNXBMFYSA-N 1 2 373.409 2.383 20 5 FEBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000180705947 547163396 /nfs/dbraw/zinc/16/33/96/547163396.db2.gz WKNTZWMHHKSYTA-UHFFFAOYSA-N 1 2 355.329 2.432 20 5 FEBDLO CCOc1cc(N2CC[NH+]([C@@H](C(=O)OC)C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000482877876 561261899 /nfs/dbraw/zinc/26/18/99/561261899.db2.gz XSHDTTXIIMNKOO-QGZVFWFLSA-N 1 2 363.414 2.067 20 5 FEBDLO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](C)[NH+]1CCOCC1 ZINC000181598923 547342547 /nfs/dbraw/zinc/34/25/47/547342547.db2.gz HBGDPKDBZWRQTG-QWRGUYRKSA-N 1 2 373.356 2.035 20 5 FEBDLO CC[N@H+](CCc1nccs1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182249956 547460982 /nfs/dbraw/zinc/46/09/82/547460982.db2.gz WALPDKABPMJMBR-UHFFFAOYSA-N 1 2 369.468 2.390 20 5 FEBDLO CC[N@@H+](CCc1nccs1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182249956 547460985 /nfs/dbraw/zinc/46/09/85/547460985.db2.gz WALPDKABPMJMBR-UHFFFAOYSA-N 1 2 369.468 2.390 20 5 FEBDLO C[C@H](C(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185163107 547943876 /nfs/dbraw/zinc/94/38/76/547943876.db2.gz RPRASCCGQTVKML-LBPRGKRZSA-N 1 2 353.394 2.064 20 5 FEBDLO C[C@H](C(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185163107 547943880 /nfs/dbraw/zinc/94/38/80/547943880.db2.gz RPRASCCGQTVKML-LBPRGKRZSA-N 1 2 353.394 2.064 20 5 FEBDLO C[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185368036 547976341 /nfs/dbraw/zinc/97/63/41/547976341.db2.gz ZILHMPLEYNBTNO-DCGLDWPTSA-N 1 2 365.405 2.017 20 5 FEBDLO COc1cc(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)ccc1[N+](=O)[O-] ZINC000485552439 561322236 /nfs/dbraw/zinc/32/22/36/561322236.db2.gz QLTZUWSBYJVELV-UHFFFAOYSA-N 1 2 370.409 2.025 20 5 FEBDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000485599820 561323717 /nfs/dbraw/zinc/32/37/17/561323717.db2.gz JLQFZJRVABQHHD-LBPRGKRZSA-N 1 2 356.810 2.481 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000485599820 561323718 /nfs/dbraw/zinc/32/37/18/561323718.db2.gz JLQFZJRVABQHHD-LBPRGKRZSA-N 1 2 356.810 2.481 20 5 FEBDLO COC[C@H](C)n1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000186637180 548163108 /nfs/dbraw/zinc/16/31/08/548163108.db2.gz YWRAPBUZEUJTEV-LBPRGKRZSA-N 1 2 370.369 2.437 20 5 FEBDLO Cc1ccc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3O)CC2)[nH+]c1 ZINC000187020373 548243279 /nfs/dbraw/zinc/24/32/79/548243279.db2.gz ZBNKCHBFDOJWQA-UHFFFAOYSA-N 1 2 356.382 2.403 20 5 FEBDLO Cc1nn(C)c(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)c1[N+](=O)[O-] ZINC000194087056 548434361 /nfs/dbraw/zinc/43/43/61/548434361.db2.gz PHIVSGPDWPNXTH-CYBMUJFWSA-N 1 2 372.360 2.029 20 5 FEBDLO C[C@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000247368934 549324206 /nfs/dbraw/zinc/32/42/06/549324206.db2.gz HPRNCBBQXYHMIV-GXTWGEPZSA-N 1 2 350.400 2.063 20 5 FEBDLO COCC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCO[C@@H]1C ZINC000489468286 561412084 /nfs/dbraw/zinc/41/20/84/561412084.db2.gz XJIQYNRXOJLDHP-RISCZKNCSA-N 1 2 371.821 2.313 20 5 FEBDLO COCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCO[C@@H]1C ZINC000489468286 561412085 /nfs/dbraw/zinc/41/20/85/561412085.db2.gz XJIQYNRXOJLDHP-RISCZKNCSA-N 1 2 371.821 2.313 20 5 FEBDLO Cc1nnc([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)[nH]1 ZINC000268500459 550077549 /nfs/dbraw/zinc/07/75/49/550077549.db2.gz RZYXUPYGMMILLA-LBPRGKRZSA-N 1 2 359.386 2.267 20 5 FEBDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)[nH]1 ZINC000268500459 550077550 /nfs/dbraw/zinc/07/75/50/550077550.db2.gz RZYXUPYGMMILLA-LBPRGKRZSA-N 1 2 359.386 2.267 20 5 FEBDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n1 ZINC000268500459 550077552 /nfs/dbraw/zinc/07/75/52/550077552.db2.gz RZYXUPYGMMILLA-LBPRGKRZSA-N 1 2 359.386 2.267 20 5 FEBDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n1 ZINC000268500459 550077554 /nfs/dbraw/zinc/07/75/54/550077554.db2.gz RZYXUPYGMMILLA-LBPRGKRZSA-N 1 2 359.386 2.267 20 5 FEBDLO Cc1nc([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n[nH]1 ZINC000268500459 550077556 /nfs/dbraw/zinc/07/75/56/550077556.db2.gz RZYXUPYGMMILLA-LBPRGKRZSA-N 1 2 359.386 2.267 20 5 FEBDLO Cc1nc([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n[nH]1 ZINC000268500459 550077558 /nfs/dbraw/zinc/07/75/58/550077558.db2.gz RZYXUPYGMMILLA-LBPRGKRZSA-N 1 2 359.386 2.267 20 5 FEBDLO CS(=O)(=O)c1ccc(N2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000268797738 550117614 /nfs/dbraw/zinc/11/76/14/550117614.db2.gz CKSWPZWUENRANM-UHFFFAOYSA-N 1 2 367.471 2.453 20 5 FEBDLO C[C@H](CNc1cc(Br)ccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000268823885 550120180 /nfs/dbraw/zinc/12/01/80/550120180.db2.gz QFEZEFVJJIODRD-LLVKDONJSA-N 1 2 357.252 2.405 20 5 FEBDLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493210361 561454986 /nfs/dbraw/zinc/45/49/86/561454986.db2.gz LJNJGBLGUXGAEF-LLVKDONJSA-N 1 2 361.851 2.009 20 5 FEBDLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493210361 561454987 /nfs/dbraw/zinc/45/49/87/561454987.db2.gz LJNJGBLGUXGAEF-LLVKDONJSA-N 1 2 361.851 2.009 20 5 FEBDLO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000271160543 550346744 /nfs/dbraw/zinc/34/67/44/550346744.db2.gz RMRJJDPECIUEQG-DOMZBBRYSA-N 1 2 365.340 2.080 20 5 FEBDLO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000271160543 550346746 /nfs/dbraw/zinc/34/67/46/550346746.db2.gz RMRJJDPECIUEQG-DOMZBBRYSA-N 1 2 365.340 2.080 20 5 FEBDLO COc1cc(C)[nH+]c(CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000271187431 550349938 /nfs/dbraw/zinc/34/99/38/550349938.db2.gz FCVYRYUGUVMIHN-GOSISDBHSA-N 1 2 370.365 2.274 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272473008 550451467 /nfs/dbraw/zinc/45/14/67/550451467.db2.gz AUDWBJFUHJNHEX-WMLDXEAASA-N 1 2 371.441 2.407 20 5 FEBDLO COC(=O)[C@H]1C[C@H](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000274800784 550555744 /nfs/dbraw/zinc/55/57/44/550555744.db2.gz OKCZIBDVGCYVHA-MLGOLLRUSA-N 1 2 372.381 2.194 20 5 FEBDLO CCOc1cc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000276840678 550602229 /nfs/dbraw/zinc/60/22/29/550602229.db2.gz CCRZIJPMQQOYGG-AWEZNQCLSA-N 1 2 354.428 2.145 20 5 FEBDLO CCOc1cc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000276840678 550602230 /nfs/dbraw/zinc/60/22/30/550602230.db2.gz CCRZIJPMQQOYGG-AWEZNQCLSA-N 1 2 354.428 2.145 20 5 FEBDLO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@@](=O)C1 ZINC000277514923 550679531 /nfs/dbraw/zinc/67/95/31/550679531.db2.gz OWTVWAKKYPBGEF-ZJWNCGCPSA-N 1 2 362.455 2.196 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@@](=O)C1 ZINC000277514923 550679533 /nfs/dbraw/zinc/67/95/33/550679533.db2.gz OWTVWAKKYPBGEF-ZJWNCGCPSA-N 1 2 362.455 2.196 20 5 FEBDLO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@](=O)C1 ZINC000277514911 550679720 /nfs/dbraw/zinc/67/97/20/550679720.db2.gz OWTVWAKKYPBGEF-CANCMXDXSA-N 1 2 362.455 2.196 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@](=O)C1 ZINC000277514911 550679722 /nfs/dbraw/zinc/67/97/22/550679722.db2.gz OWTVWAKKYPBGEF-CANCMXDXSA-N 1 2 362.455 2.196 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1F ZINC000278576634 550800610 /nfs/dbraw/zinc/80/06/10/550800610.db2.gz JEWYNOPAUUIDHH-UHFFFAOYSA-N 1 2 374.372 2.204 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1 ZINC000278902359 550834272 /nfs/dbraw/zinc/83/42/72/550834272.db2.gz PLIKPNAKRBLRHZ-CQSZACIVSA-N 1 2 373.862 2.248 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1 ZINC000278902359 550834273 /nfs/dbraw/zinc/83/42/73/550834273.db2.gz PLIKPNAKRBLRHZ-CQSZACIVSA-N 1 2 373.862 2.248 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000279064151 550852296 /nfs/dbraw/zinc/85/22/96/550852296.db2.gz DKKVVOXXCAUBQI-GFCCVEGCSA-N 1 2 355.822 2.349 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@]2(CCOC2)O1 ZINC000280505154 551001424 /nfs/dbraw/zinc/00/14/24/551001424.db2.gz NGONGFLDYMIEFM-SJKOYZFVSA-N 1 2 360.370 2.025 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@]2(CCOC2)O1 ZINC000280505154 551001426 /nfs/dbraw/zinc/00/14/26/551001426.db2.gz NGONGFLDYMIEFM-SJKOYZFVSA-N 1 2 360.370 2.025 20 5 FEBDLO CC(C)[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[NH+]1CCOCC1 ZINC000280916581 551045414 /nfs/dbraw/zinc/04/54/14/551045414.db2.gz FMTBFXRUPHJJKM-OAHLLOKOSA-N 1 2 361.402 2.012 20 5 FEBDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000497845348 561509859 /nfs/dbraw/zinc/50/98/59/561509859.db2.gz NKQRWTXPKLETDV-MRXNPFEDSA-N 1 2 372.425 2.045 20 5 FEBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C[C@H]21 ZINC000283986589 551462452 /nfs/dbraw/zinc/46/24/52/551462452.db2.gz HPVSXRGGNCTWQB-KGLIPLIRSA-N 1 2 361.423 2.355 20 5 FEBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C[C@H]21 ZINC000283986589 551462453 /nfs/dbraw/zinc/46/24/53/551462453.db2.gz HPVSXRGGNCTWQB-KGLIPLIRSA-N 1 2 361.423 2.355 20 5 FEBDLO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000286199816 551860138 /nfs/dbraw/zinc/86/01/38/551860138.db2.gz SDQNSDYQUMWWRL-HNNXBMFYSA-N 1 2 359.382 2.342 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000287151343 551969619 /nfs/dbraw/zinc/96/96/19/551969619.db2.gz GFZBSJBYPJWNAO-OCCSQVGLSA-N 1 2 358.398 2.011 20 5 FEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289494633 552330708 /nfs/dbraw/zinc/33/07/08/552330708.db2.gz SXAHNAAMGIEFNZ-GFCCVEGCSA-N 1 2 361.402 2.173 20 5 FEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289494633 552330710 /nfs/dbraw/zinc/33/07/10/552330710.db2.gz SXAHNAAMGIEFNZ-GFCCVEGCSA-N 1 2 361.402 2.173 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cnc(C4OCCO4)s3)nc2c1 ZINC000289669244 552359506 /nfs/dbraw/zinc/35/95/06/552359506.db2.gz MILMVIWFLRHOPJ-UHFFFAOYSA-N 1 2 361.383 2.263 20 5 FEBDLO Cc1nnc(CC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000289835167 552386493 /nfs/dbraw/zinc/38/64/93/552386493.db2.gz PQBUTOGPJREWPW-OAHLLOKOSA-N 1 2 358.427 2.410 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2c([N+](=O)[O-])cnn2C)C[C@H](C)O1 ZINC000501099063 561589902 /nfs/dbraw/zinc/58/99/02/561589902.db2.gz JXAFEGHYCKTDKD-BETUJISGSA-N 1 2 373.413 2.190 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2c([N+](=O)[O-])cnn2C)C[C@H](C)O1 ZINC000501099063 561589903 /nfs/dbraw/zinc/58/99/03/561589903.db2.gz JXAFEGHYCKTDKD-BETUJISGSA-N 1 2 373.413 2.190 20 5 FEBDLO CC(C)[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000293360876 552815442 /nfs/dbraw/zinc/81/54/42/552815442.db2.gz ZWPBVIYVNXHJSL-INIZCTEOSA-N 1 2 356.444 2.115 20 5 FEBDLO CC(C)[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000293360876 552815443 /nfs/dbraw/zinc/81/54/43/552815443.db2.gz ZWPBVIYVNXHJSL-INIZCTEOSA-N 1 2 356.444 2.115 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC2(CC1)OCCCO2 ZINC000294306206 552895482 /nfs/dbraw/zinc/89/54/82/552895482.db2.gz VEEIYKIHGFGCHD-UHFFFAOYSA-N 1 2 372.381 2.150 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000295845251 553066772 /nfs/dbraw/zinc/06/67/72/553066772.db2.gz JNHQSFCOVQPDPY-AWEZNQCLSA-N 1 2 354.370 2.428 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000296563639 553180065 /nfs/dbraw/zinc/18/00/65/553180065.db2.gz CQOHGQOMKDTBMK-CHWSQXEVSA-N 1 2 364.402 2.003 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000296563639 553180066 /nfs/dbraw/zinc/18/00/66/553180066.db2.gz CQOHGQOMKDTBMK-CHWSQXEVSA-N 1 2 364.402 2.003 20 5 FEBDLO Cc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000299409974 553559512 /nfs/dbraw/zinc/55/95/12/553559512.db2.gz VVAIRSCVGLCOQC-BLLLJJGKSA-N 1 2 371.397 2.148 20 5 FEBDLO CCOC(=O)N1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000299555669 553580869 /nfs/dbraw/zinc/58/08/69/553580869.db2.gz MDOFMHKBVJRREG-UHFFFAOYSA-N 1 2 365.386 2.126 20 5 FEBDLO CCOC(=O)N1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000299555669 553580870 /nfs/dbraw/zinc/58/08/70/553580870.db2.gz MDOFMHKBVJRREG-UHFFFAOYSA-N 1 2 365.386 2.126 20 5 FEBDLO COc1c(C)c[nH+]c(CN(C)C(=O)CCn2cc([N+](=O)[O-])nc2C)c1C ZINC000299717345 553606710 /nfs/dbraw/zinc/60/67/10/553606710.db2.gz XWOHMPHCZAHBRY-UHFFFAOYSA-N 1 2 361.402 2.169 20 5 FEBDLO CNC(=O)c1ccc(N2CC[NH+](Cc3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000301698805 553672209 /nfs/dbraw/zinc/67/22/09/553672209.db2.gz DJGAOZCGKUUGGN-UHFFFAOYSA-N 1 2 372.400 2.416 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3cc(C)no3)CC2)c1 ZINC000302075826 553702819 /nfs/dbraw/zinc/70/28/19/553702819.db2.gz HARVCVXSXTUGST-UHFFFAOYSA-N 1 2 360.370 2.000 20 5 FEBDLO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505462049 561671521 /nfs/dbraw/zinc/67/15/21/561671521.db2.gz VMCOFKVTIDSTDJ-MRXNPFEDSA-N 1 2 358.373 2.319 20 5 FEBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505747375 561679289 /nfs/dbraw/zinc/67/92/89/561679289.db2.gz JNUADAYOVLGLFJ-UHFFFAOYSA-N 1 2 352.350 2.475 20 5 FEBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000506226088 561693469 /nfs/dbraw/zinc/69/34/69/561693469.db2.gz KNDWAVSGTGFOCL-UHFFFAOYSA-N 1 2 372.406 2.318 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CC2CCC(=O)CC2)CC1 ZINC000331292653 554242229 /nfs/dbraw/zinc/24/22/29/554242229.db2.gz BSLROIOBMOLFKM-UHFFFAOYSA-N 1 2 351.428 2.173 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000331527451 554280373 /nfs/dbraw/zinc/28/03/73/554280373.db2.gz KFIOETVXKBKICU-SFHVURJKSA-N 1 2 363.414 2.112 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000331527451 554280376 /nfs/dbraw/zinc/28/03/76/554280376.db2.gz KFIOETVXKBKICU-SFHVURJKSA-N 1 2 363.414 2.112 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)nc2c1 ZINC000511647539 561876390 /nfs/dbraw/zinc/87/63/90/561876390.db2.gz KNDIVNRZWOKKBP-MWLCHTKSSA-N 1 2 358.320 2.464 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)nc2c1 ZINC000511647539 561876391 /nfs/dbraw/zinc/87/63/91/561876391.db2.gz KNDIVNRZWOKKBP-MWLCHTKSSA-N 1 2 358.320 2.464 20 5 FEBDLO Cc1sc(C(=O)NCC2([NH+]3CCOCC3)CCCC2)cc1[N+](=O)[O-] ZINC000363664232 555159096 /nfs/dbraw/zinc/15/90/96/555159096.db2.gz WXRHOZGODXFKDQ-UHFFFAOYSA-N 1 2 353.444 2.340 20 5 FEBDLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000363801176 555188960 /nfs/dbraw/zinc/18/89/60/555188960.db2.gz BCIFAYHKLHZIDI-HUUCEWRRSA-N 1 2 369.368 2.246 20 5 FEBDLO Cc1cc(N2CC[C@H](n3cncn3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000364237429 555276095 /nfs/dbraw/zinc/27/60/95/555276095.db2.gz NSOKSDGFCZXUGT-HNNXBMFYSA-N 1 2 351.370 2.403 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)Nc1ccc(Cl)cn1 ZINC000364340128 555294605 /nfs/dbraw/zinc/29/46/05/555294605.db2.gz RMFKKPYOXRPMOZ-LBPRGKRZSA-N 1 2 364.793 2.115 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)Nc1ccc(Cl)cn1 ZINC000364340128 555294606 /nfs/dbraw/zinc/29/46/06/555294606.db2.gz RMFKKPYOXRPMOZ-LBPRGKRZSA-N 1 2 364.793 2.115 20 5 FEBDLO CCCc1n[nH]c(C(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000364595423 555348277 /nfs/dbraw/zinc/34/82/77/555348277.db2.gz OJOGLNKSAVTMKM-UHFFFAOYSA-N 1 2 372.429 2.406 20 5 FEBDLO CCCc1[nH]nc(C(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000364595423 555348279 /nfs/dbraw/zinc/34/82/79/555348279.db2.gz OJOGLNKSAVTMKM-UHFFFAOYSA-N 1 2 372.429 2.406 20 5 FEBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000364695622 555376808 /nfs/dbraw/zinc/37/68/08/555376808.db2.gz KOPLWMSNWQHDGJ-OAHLLOKOSA-N 1 2 373.413 2.413 20 5 FEBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000364695622 555376809 /nfs/dbraw/zinc/37/68/09/555376809.db2.gz KOPLWMSNWQHDGJ-OAHLLOKOSA-N 1 2 373.413 2.413 20 5 FEBDLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000364984992 555457139 /nfs/dbraw/zinc/45/71/39/555457139.db2.gz HXIVELRIPRJGKU-CYBMUJFWSA-N 1 2 370.365 2.117 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000365151818 555496372 /nfs/dbraw/zinc/49/63/72/555496372.db2.gz ANTANPAXHVHOKC-GFCCVEGCSA-N 1 2 350.400 2.461 20 5 FEBDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000365163716 555499486 /nfs/dbraw/zinc/49/94/86/555499486.db2.gz REBYXDYVGNLPQX-GOSISDBHSA-N 1 2 365.393 2.224 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000365318954 555541371 /nfs/dbraw/zinc/54/13/71/555541371.db2.gz PHJCMTUEPRIZNM-CQSZACIVSA-N 1 2 373.862 2.248 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000365318954 555541373 /nfs/dbraw/zinc/54/13/73/555541373.db2.gz PHJCMTUEPRIZNM-CQSZACIVSA-N 1 2 373.862 2.248 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1CN1CCN(Cc2[nH+]ccn2C)CC1 ZINC000513484570 561940250 /nfs/dbraw/zinc/94/02/50/561940250.db2.gz KZMBTNVXZFSXPN-UHFFFAOYSA-N 1 2 359.430 2.045 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000513712973 561947395 /nfs/dbraw/zinc/94/73/95/561947395.db2.gz IIIAXESMGQHTPL-QGZVFWFLSA-N 1 2 365.393 2.306 20 5 FEBDLO O=C(N[C@@H](CO)CC1CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000513934064 561955449 /nfs/dbraw/zinc/95/54/49/561955449.db2.gz PWYXCBYSACTPOY-OAHLLOKOSA-N 1 2 358.398 2.452 20 5 FEBDLO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000366710780 555915343 /nfs/dbraw/zinc/91/53/43/555915343.db2.gz OZYRNAOONZDOAB-DLBZAZTESA-N 1 2 370.409 2.435 20 5 FEBDLO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000366710780 555915345 /nfs/dbraw/zinc/91/53/45/555915345.db2.gz OZYRNAOONZDOAB-DLBZAZTESA-N 1 2 370.409 2.435 20 5 FEBDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)Nc2ccncc2[N+](=O)[O-])c1 ZINC000367788905 556139640 /nfs/dbraw/zinc/13/96/40/556139640.db2.gz ADXMJELQGUXCSP-UHFFFAOYSA-N 1 2 352.354 2.134 20 5 FEBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C1([NH+]2CCOCC2)CCC1 ZINC000367797473 556141809 /nfs/dbraw/zinc/14/18/09/556141809.db2.gz ZWLABKHHWUFBCV-UHFFFAOYSA-N 1 2 361.442 2.289 20 5 FEBDLO O=C(C[N@H+]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000368389409 556294637 /nfs/dbraw/zinc/29/46/37/556294637.db2.gz WOAKJAJNASVOMD-UHFFFAOYSA-N 1 2 366.849 2.383 20 5 FEBDLO O=C(C[N@@H+]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000368389409 556294639 /nfs/dbraw/zinc/29/46/39/556294639.db2.gz WOAKJAJNASVOMD-UHFFFAOYSA-N 1 2 366.849 2.383 20 5 FEBDLO O=C(NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000368858956 556431552 /nfs/dbraw/zinc/43/15/52/556431552.db2.gz KNNWWVPZXWMCOJ-DLBZAZTESA-N 1 2 370.409 2.087 20 5 FEBDLO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000368878307 556436876 /nfs/dbraw/zinc/43/68/76/556436876.db2.gz SXQVVPQYMHFXGH-RLCCDNCMSA-N 1 2 361.398 2.080 20 5 FEBDLO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000368878307 556436878 /nfs/dbraw/zinc/43/68/78/556436878.db2.gz SXQVVPQYMHFXGH-RLCCDNCMSA-N 1 2 361.398 2.080 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Oc2cnccn2)CC1 ZINC000369701960 556672987 /nfs/dbraw/zinc/67/29/87/556672987.db2.gz GQULDJDZYLTBGC-ZDUSSCGKSA-N 1 2 371.397 2.255 20 5 FEBDLO O=C1COc2cc([N+](=O)[O-])c(N[C@@H]3CCCN(c4cccc[nH+]4)C3)cc2N1 ZINC000371383981 557169551 /nfs/dbraw/zinc/16/95/51/557169551.db2.gz HSRPWZZOSUYTPI-GFCCVEGCSA-N 1 2 369.381 2.402 20 5 FEBDLO COC(=O)[C@H]1CCCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000371582457 557229595 /nfs/dbraw/zinc/22/95/95/557229595.db2.gz JZSAPYBQIHGUNV-OAHLLOKOSA-N 1 2 372.381 2.338 20 5 FEBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000518861886 562119916 /nfs/dbraw/zinc/11/99/16/562119916.db2.gz DTIBULCLPQCLCT-UHFFFAOYSA-N 1 2 374.397 2.094 20 5 FEBDLO CN(Cc1cccs1)C(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372471186 557479292 /nfs/dbraw/zinc/47/92/92/557479292.db2.gz IAMNDDZQJRPZBK-CYBMUJFWSA-N 1 2 363.443 2.148 20 5 FEBDLO CN(Cc1cccs1)C(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372471186 557479294 /nfs/dbraw/zinc/47/92/94/557479294.db2.gz IAMNDDZQJRPZBK-CYBMUJFWSA-N 1 2 363.443 2.148 20 5 FEBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000373393572 557685727 /nfs/dbraw/zinc/68/57/27/557685727.db2.gz PKUXAHKLSBUXDG-UHFFFAOYSA-N 1 2 374.372 2.247 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000373802724 557762237 /nfs/dbraw/zinc/76/22/37/557762237.db2.gz AQGWMGPWWFTRHP-HBUWYVDXSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000373802724 557762238 /nfs/dbraw/zinc/76/22/38/557762238.db2.gz AQGWMGPWWFTRHP-HBUWYVDXSA-N 1 2 363.414 2.192 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374366539 557872572 /nfs/dbraw/zinc/87/25/72/557872572.db2.gz SLEHFXQEJFVMRT-MRXNPFEDSA-N 1 2 360.801 2.359 20 5 FEBDLO COC(=O)c1cnc(N[C@@H]2CCCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000375462967 558031303 /nfs/dbraw/zinc/03/13/03/558031303.db2.gz WLMIQXMJDYLNSM-CYBMUJFWSA-N 1 2 357.370 2.252 20 5 FEBDLO COc1cc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])cc1F ZINC000375659282 558063637 /nfs/dbraw/zinc/06/36/37/558063637.db2.gz VXNWXGCMEHZUMD-HNNXBMFYSA-N 1 2 350.350 2.416 20 5 FEBDLO CC(C)n1nc2c(cc1=O)C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000375879745 558092806 /nfs/dbraw/zinc/09/28/06/558092806.db2.gz JBZWSEGFNKOHIX-UHFFFAOYSA-N 1 2 369.381 2.432 20 5 FEBDLO CC(C)n1nc2c(cc1=O)C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000375879745 558092808 /nfs/dbraw/zinc/09/28/08/558092808.db2.gz JBZWSEGFNKOHIX-UHFFFAOYSA-N 1 2 369.381 2.432 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000375898734 558095978 /nfs/dbraw/zinc/09/59/78/558095978.db2.gz WRACYEZSZATBIF-XHDPSFHLSA-N 1 2 353.806 2.183 20 5 FEBDLO Cc1cc(OCC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000376112122 558128567 /nfs/dbraw/zinc/12/85/67/558128567.db2.gz JPQOETUYJFHLBZ-OAHLLOKOSA-N 1 2 372.425 2.497 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNc1nc3ccc([N+](=O)[O-])cc3c(=O)[nH]1)CCC2 ZINC000376395289 558167771 /nfs/dbraw/zinc/16/77/71/558167771.db2.gz KLFQBKAFZAJHQC-LLVKDONJSA-N 1 2 354.370 2.738 20 5 FEBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)no1 ZINC000376686257 558208273 /nfs/dbraw/zinc/20/82/73/558208273.db2.gz CXBNFPOOZJHSKZ-CQSZACIVSA-N 1 2 360.418 2.481 20 5 FEBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)no1 ZINC000376686257 558208274 /nfs/dbraw/zinc/20/82/74/558208274.db2.gz CXBNFPOOZJHSKZ-CQSZACIVSA-N 1 2 360.418 2.481 20 5 FEBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000377187145 558284166 /nfs/dbraw/zinc/28/41/66/558284166.db2.gz ZILJCRJMAVYZIX-MGPLVRAMSA-N 1 2 353.806 2.422 20 5 FEBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000377187145 558284167 /nfs/dbraw/zinc/28/41/67/558284167.db2.gz ZILJCRJMAVYZIX-MGPLVRAMSA-N 1 2 353.806 2.422 20 5 FEBDLO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ncon2)c([N+](=O)[O-])c1 ZINC000377501707 558352596 /nfs/dbraw/zinc/35/25/96/558352596.db2.gz XFWJLAQEBDCAQR-CYBMUJFWSA-N 1 2 361.358 2.152 20 5 FEBDLO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2ncon2)c([N+](=O)[O-])c1 ZINC000377501707 558352598 /nfs/dbraw/zinc/35/25/98/558352598.db2.gz XFWJLAQEBDCAQR-CYBMUJFWSA-N 1 2 361.358 2.152 20 5 FEBDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1Cc1ccccc1[N+](=O)[O-] ZINC000377614136 558377157 /nfs/dbraw/zinc/37/71/57/558377157.db2.gz GSACSDFSEUHBGG-SFHVURJKSA-N 1 2 365.393 2.224 20 5 FEBDLO CCCc1n[nH]c(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000522422239 562198187 /nfs/dbraw/zinc/19/81/87/562198187.db2.gz NLZXKNLMSIZMMJ-UHFFFAOYSA-N 1 2 354.370 2.386 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000377662757 558390095 /nfs/dbraw/zinc/39/00/95/558390095.db2.gz RWGKFFQWSOTFQF-PBHICJAKSA-N 1 2 374.441 2.399 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000377662757 558390096 /nfs/dbraw/zinc/39/00/96/558390096.db2.gz RWGKFFQWSOTFQF-PBHICJAKSA-N 1 2 374.441 2.399 20 5 FEBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1OC ZINC000378197653 558500592 /nfs/dbraw/zinc/50/05/92/558500592.db2.gz BPIQSJBFSOWTAT-JTQLQIEISA-N 1 2 360.370 2.013 20 5 FEBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1OC ZINC000378197653 558500593 /nfs/dbraw/zinc/50/05/93/558500593.db2.gz BPIQSJBFSOWTAT-JTQLQIEISA-N 1 2 360.370 2.013 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000408181165 558654226 /nfs/dbraw/zinc/65/42/26/558654226.db2.gz ACOPTENQJASEEX-KGLIPLIRSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000408181165 558654227 /nfs/dbraw/zinc/65/42/27/558654227.db2.gz ACOPTENQJASEEX-KGLIPLIRSA-N 1 2 353.444 2.151 20 5 FEBDLO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408182437 558654797 /nfs/dbraw/zinc/65/47/97/558654797.db2.gz KQMXWQDLLAVRAB-WCQYABFASA-N 1 2 373.862 2.496 20 5 FEBDLO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408182437 558654799 /nfs/dbraw/zinc/65/47/99/558654799.db2.gz KQMXWQDLLAVRAB-WCQYABFASA-N 1 2 373.862 2.496 20 5 FEBDLO CCOC(=O)C1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1 ZINC000524848853 562236013 /nfs/dbraw/zinc/23/60/13/562236013.db2.gz DUCYDCAHXCOVLA-UHFFFAOYSA-N 1 2 372.381 2.244 20 5 FEBDLO CCCNC(=O)C[N@H+](CCC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000411183973 558850254 /nfs/dbraw/zinc/85/02/54/558850254.db2.gz STSYQSOBQQUYLK-ZDUSSCGKSA-N 1 2 350.419 2.160 20 5 FEBDLO CCCNC(=O)C[N@@H+](CCC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000411183973 558850256 /nfs/dbraw/zinc/85/02/56/558850256.db2.gz STSYQSOBQQUYLK-ZDUSSCGKSA-N 1 2 350.419 2.160 20 5 FEBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000412152836 559017220 /nfs/dbraw/zinc/01/72/20/559017220.db2.gz VXIHBPQEUMPMAJ-OKZBNKHCSA-N 1 2 359.426 2.022 20 5 FEBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412203717 559019710 /nfs/dbraw/zinc/01/97/10/559019710.db2.gz GSIDZZYBOSBRGW-BHYGNILZSA-N 1 2 352.394 2.488 20 5 FEBDLO CCc1n[nH]c(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000412695967 559051025 /nfs/dbraw/zinc/05/10/25/559051025.db2.gz KASGJVZZDUTAIR-CYBMUJFWSA-N 1 2 357.414 2.227 20 5 FEBDLO CCc1n[nH]c(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000412695967 559051026 /nfs/dbraw/zinc/05/10/26/559051026.db2.gz KASGJVZZDUTAIR-CYBMUJFWSA-N 1 2 357.414 2.227 20 5 FEBDLO CCc1[nH]nc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000412695967 559051027 /nfs/dbraw/zinc/05/10/27/559051027.db2.gz KASGJVZZDUTAIR-CYBMUJFWSA-N 1 2 357.414 2.227 20 5 FEBDLO CCc1[nH]nc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000412695967 559051028 /nfs/dbraw/zinc/05/10/28/559051028.db2.gz KASGJVZZDUTAIR-CYBMUJFWSA-N 1 2 357.414 2.227 20 5 FEBDLO CCN(CC)C(=O)C[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413031135 559071043 /nfs/dbraw/zinc/07/10/43/559071043.db2.gz HUROBMIZJSJGSM-UHFFFAOYSA-N 1 2 371.441 2.133 20 5 FEBDLO CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413184288 559086309 /nfs/dbraw/zinc/08/63/09/559086309.db2.gz JKXVNOUDKCBHLZ-WFASDCNBSA-N 1 2 364.427 2.273 20 5 FEBDLO COC(=O)C(C)(C)[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413245241 559091479 /nfs/dbraw/zinc/09/14/79/559091479.db2.gz FWUTZSAEETZDAK-UHFFFAOYSA-N 1 2 358.398 2.217 20 5 FEBDLO Cc1cc2[nH+]cn(C[C@@H](O)Cn3cc([N+](=O)[O-])cc(C)c3=O)c2cc1C ZINC000414152225 559151008 /nfs/dbraw/zinc/15/10/08/559151008.db2.gz XGVIBKUGWIFUMJ-HNNXBMFYSA-N 1 2 356.382 2.093 20 5 FEBDLO Cc1cc(S(=O)(=O)Nc2cc(C[NH+](C)C)ccn2)c(C)cc1[N+](=O)[O-] ZINC000414445639 559164372 /nfs/dbraw/zinc/16/43/72/559164372.db2.gz SRGIPPPGNGVXIX-UHFFFAOYSA-N 1 2 364.427 2.469 20 5 FEBDLO Cc1cccc(N2CCC(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)[nH+]1 ZINC000428032038 559767978 /nfs/dbraw/zinc/76/79/78/559767978.db2.gz IPYYPCREAWQYQK-UHFFFAOYSA-N 1 2 356.382 2.403 20 5 FEBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cccc(SC)c2[N+](=O)[O-])CCO1 ZINC000428060678 559768985 /nfs/dbraw/zinc/76/89/85/559768985.db2.gz LRAQLPLVMASKQU-GFCCVEGCSA-N 1 2 353.444 2.157 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cccc(SC)c2[N+](=O)[O-])CCO1 ZINC000428060678 559768986 /nfs/dbraw/zinc/76/89/86/559768986.db2.gz LRAQLPLVMASKQU-GFCCVEGCSA-N 1 2 353.444 2.157 20 5 FEBDLO COc1cc[nH+]cc1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000431573033 559841689 /nfs/dbraw/zinc/84/16/89/559841689.db2.gz ZRTWPOXHUBDRDV-UHFFFAOYSA-N 1 2 357.775 2.130 20 5 FEBDLO C[C@@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000434367487 559899041 /nfs/dbraw/zinc/89/90/41/559899041.db2.gz QFNNJONVOJXHFW-UONOGXRCSA-N 1 2 350.419 2.018 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000435060595 559915426 /nfs/dbraw/zinc/91/54/26/559915426.db2.gz ZMCRASUOBZNKDF-GFCCVEGCSA-N 1 2 359.373 2.349 20 5 FEBDLO Nc1c(F)c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000435576116 559925484 /nfs/dbraw/zinc/92/54/84/559925484.db2.gz ADABABYCYISXJY-SJORKVTESA-N 1 2 372.400 2.406 20 5 FEBDLO Nc1c(F)c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000435576116 559925485 /nfs/dbraw/zinc/92/54/85/559925485.db2.gz ADABABYCYISXJY-SJORKVTESA-N 1 2 372.400 2.406 20 5 FEBDLO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc([N+](=O)[O-])ccc1O ZINC000436674542 559948590 /nfs/dbraw/zinc/94/85/90/559948590.db2.gz PRPPPWLRKRZCFW-UHFFFAOYSA-N 1 2 355.394 2.479 20 5 FEBDLO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cc([N+](=O)[O-])ccc1O ZINC000436674542 559948591 /nfs/dbraw/zinc/94/85/91/559948591.db2.gz PRPPPWLRKRZCFW-UHFFFAOYSA-N 1 2 355.394 2.479 20 5 FEBDLO O=C(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccccc1F ZINC000440502887 560012556 /nfs/dbraw/zinc/01/25/56/560012556.db2.gz SNDZYRKJJSPCGL-GFCCVEGCSA-N 1 2 359.361 2.254 20 5 FEBDLO O=C(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccccc1F ZINC000440502887 560012557 /nfs/dbraw/zinc/01/25/57/560012557.db2.gz SNDZYRKJJSPCGL-GFCCVEGCSA-N 1 2 359.361 2.254 20 5 FEBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Cn2ccc([N+](=O)[O-])n2)c(C)c1 ZINC000441476776 560033663 /nfs/dbraw/zinc/03/36/63/560033663.db2.gz SWCLKUXJWONRQO-INIZCTEOSA-N 1 2 368.397 2.162 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])CCC2 ZINC000443884235 560095262 /nfs/dbraw/zinc/09/52/62/560095262.db2.gz XRHXRSQWIKNEJE-LBPRGKRZSA-N 1 2 364.427 2.493 20 5 FEBDLO CCO[C@@H]1C[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])[C@H]1OC ZINC000447815418 560169902 /nfs/dbraw/zinc/16/99/02/560169902.db2.gz FWXSCPJRKNDOPX-KBAYOESNSA-N 1 2 365.430 2.031 20 5 FEBDLO Cc1cnc(CCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])nc1 ZINC000447816932 560169924 /nfs/dbraw/zinc/16/99/24/560169924.db2.gz NULKEOKURGAFLW-UHFFFAOYSA-N 1 2 357.414 2.180 20 5 FEBDLO COC(=O)COc1ccc(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000448364134 560185660 /nfs/dbraw/zinc/18/56/60/560185660.db2.gz DWPMFBBQXXOJHL-MRXNPFEDSA-N 1 2 366.414 2.394 20 5 FEBDLO COC(=O)COc1ccc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000448364134 560185661 /nfs/dbraw/zinc/18/56/61/560185661.db2.gz DWPMFBBQXXOJHL-MRXNPFEDSA-N 1 2 366.414 2.394 20 5 FEBDLO Cc1ccc[nH+]c1CCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000450741498 560271825 /nfs/dbraw/zinc/27/18/25/560271825.db2.gz YXGGLMKXUPVQLM-UHFFFAOYSA-N 1 2 364.427 2.203 20 5 FEBDLO Cc1noc([C@H]2CCN(c3cc(C[NH+]4CCOCC4)ccc3[N+](=O)[O-])C2)n1 ZINC000450752634 560272061 /nfs/dbraw/zinc/27/20/61/560272061.db2.gz GDNCEASRTVAZTG-HNNXBMFYSA-N 1 2 373.413 2.112 20 5 FEBDLO CC[C@]1(CO)CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450805156 560274100 /nfs/dbraw/zinc/27/41/00/560274100.db2.gz OITWZWAXOGPCQP-SFHVURJKSA-N 1 2 358.398 2.405 20 5 FEBDLO CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450821366 560274713 /nfs/dbraw/zinc/27/47/13/560274713.db2.gz QMXIDXPUAHUSNW-NWDGAFQWSA-N 1 2 360.370 2.098 20 5 FEBDLO C[C@@H]1C[C@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450824508 560274806 /nfs/dbraw/zinc/27/48/06/560274806.db2.gz CWQOQWNXXBIEJU-MFKMUULPSA-N 1 2 365.415 2.160 20 5 FEBDLO COC(=O)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000451121543 560288218 /nfs/dbraw/zinc/28/82/18/560288218.db2.gz RYUYLJJCEOOOOA-OCCSQVGLSA-N 1 2 372.381 2.052 20 5 FEBDLO CC(C)(C)n1ncnc1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451482239 560309577 /nfs/dbraw/zinc/30/95/77/560309577.db2.gz SVUPFNVVBSGANH-UHFFFAOYSA-N 1 2 369.385 2.057 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000451573458 560315516 /nfs/dbraw/zinc/31/55/16/560315516.db2.gz YBNYENWIFBETJJ-OAHLLOKOSA-N 1 2 351.403 2.289 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000451573458 560315517 /nfs/dbraw/zinc/31/55/17/560315517.db2.gz YBNYENWIFBETJJ-OAHLLOKOSA-N 1 2 351.403 2.289 20 5 FEBDLO CCOc1cc(C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000451654374 560319848 /nfs/dbraw/zinc/31/98/48/560319848.db2.gz VGFJGEHVTIQXJV-CQSZACIVSA-N 1 2 356.444 2.393 20 5 FEBDLO CCOc1cc(C[N@H+]2CCCC[C@@H]2CS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000451654374 560319849 /nfs/dbraw/zinc/31/98/49/560319849.db2.gz VGFJGEHVTIQXJV-CQSZACIVSA-N 1 2 356.444 2.393 20 5 FEBDLO CCOc1cc(C[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000451746121 560326094 /nfs/dbraw/zinc/32/60/94/560326094.db2.gz XBSUQYGMVQLXHK-QGZVFWFLSA-N 1 2 368.455 2.394 20 5 FEBDLO CCOc1cc(C[N@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000451746121 560326095 /nfs/dbraw/zinc/32/60/95/560326095.db2.gz XBSUQYGMVQLXHK-QGZVFWFLSA-N 1 2 368.455 2.394 20 5 FEBDLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000451873175 560333564 /nfs/dbraw/zinc/33/35/64/560333564.db2.gz OIRRBLFDFKSDNA-LLVKDONJSA-N 1 2 374.363 2.010 20 5 FEBDLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000451873175 560333565 /nfs/dbraw/zinc/33/35/65/560333565.db2.gz OIRRBLFDFKSDNA-LLVKDONJSA-N 1 2 374.363 2.010 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1C ZINC000451932660 560338773 /nfs/dbraw/zinc/33/87/73/560338773.db2.gz ASYKHYGPUQSOQA-CMPLNLGQSA-N 1 2 350.400 2.392 20 5 FEBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000451935762 560339133 /nfs/dbraw/zinc/33/91/33/560339133.db2.gz SFEKSPVAQVFOIH-CQSZACIVSA-N 1 2 355.460 2.316 20 5 FEBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000451935762 560339134 /nfs/dbraw/zinc/33/91/34/560339134.db2.gz SFEKSPVAQVFOIH-CQSZACIVSA-N 1 2 355.460 2.316 20 5 FEBDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000451936329 560339227 /nfs/dbraw/zinc/33/92/27/560339227.db2.gz UJTYDULRMSBSJK-NSHDSACASA-N 1 2 361.851 2.353 20 5 FEBDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000451936329 560339228 /nfs/dbraw/zinc/33/92/28/560339228.db2.gz UJTYDULRMSBSJK-NSHDSACASA-N 1 2 361.851 2.353 20 5 FEBDLO CC(C)n1cnnc1CN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452163374 560354160 /nfs/dbraw/zinc/35/41/60/560354160.db2.gz SIRZUZXMQGJXQV-UHFFFAOYSA-N 1 2 369.385 2.225 20 5 FEBDLO Cc1c(C(=O)Nc2c[nH+]c3n2CCCC3)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000452337394 560358548 /nfs/dbraw/zinc/35/85/48/560358548.db2.gz ZUQNJQJLIJORAH-UHFFFAOYSA-N 1 2 367.369 2.269 20 5 FEBDLO COC(=O)c1cccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000453574932 560389319 /nfs/dbraw/zinc/38/93/19/560389319.db2.gz JKTWFNUPJPYMQK-UHFFFAOYSA-N 1 2 356.382 2.099 20 5 FEBDLO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c2[nH+]ccn21 ZINC000455489892 560484332 /nfs/dbraw/zinc/48/43/32/560484332.db2.gz TYEJPHVHWCMAGP-ZIAGYGMSSA-N 1 2 370.413 2.329 20 5 FEBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456850095 560534470 /nfs/dbraw/zinc/53/44/70/560534470.db2.gz VVULBBBNMAXOMO-CQSZACIVSA-N 1 2 360.418 2.155 20 5 FEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000457023780 560544376 /nfs/dbraw/zinc/54/43/76/560544376.db2.gz NZACORYPWICPJN-UHFFFAOYSA-N 1 2 373.409 2.091 20 5 FEBDLO O=C(Cc1ccccc1[N+](=O)[O-])N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000457028329 560544668 /nfs/dbraw/zinc/54/46/68/560544668.db2.gz RFTFJZUZACSVIF-UHFFFAOYSA-N 1 2 373.409 2.091 20 5 FEBDLO COc1cc(C(=O)Nc2nc(C[NH+](C)C)cs2)cc([N+](=O)[O-])c1OC ZINC000457289310 560560650 /nfs/dbraw/zinc/56/06/50/560560650.db2.gz BVZKXGNPNJMWGB-UHFFFAOYSA-N 1 2 366.399 2.382 20 5 FEBDLO C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459498654 560689874 /nfs/dbraw/zinc/68/98/74/560689874.db2.gz VVASPUYLLYHJKF-HNNXBMFYSA-N 1 2 369.425 2.163 20 5 FEBDLO CCNC(=O)C[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000461739512 560781057 /nfs/dbraw/zinc/78/10/57/560781057.db2.gz QYRZPUZWYOBMMU-UHFFFAOYSA-N 1 2 374.363 2.180 20 5 FEBDLO Cc1cc(NCC[NH+]2CCN(C(=O)C3CCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461958158 560789691 /nfs/dbraw/zinc/78/96/91/560789691.db2.gz QEOHZYSZTRFABH-UHFFFAOYSA-N 1 2 364.421 2.399 20 5 FEBDLO COc1ncccc1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472347841 561024842 /nfs/dbraw/zinc/02/48/42/561024842.db2.gz KUAKXBVYVBDGED-UHFFFAOYSA-N 1 2 358.398 2.443 20 5 FEBDLO COc1ccc(CNC(=O)NCc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC000474261665 561069698 /nfs/dbraw/zinc/06/96/98/561069698.db2.gz BAXLTKSAYZOXKS-UHFFFAOYSA-N 1 2 355.354 2.251 20 5 FEBDLO Cn1cc(-c2ncc(C[N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)cn2)cn1 ZINC000474281549 561070160 /nfs/dbraw/zinc/07/01/60/561070160.db2.gz VFLGGQFBXYNMTO-UHFFFAOYSA-N 1 2 350.382 2.344 20 5 FEBDLO Cn1cc(-c2ncc(C[N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)cn2)cn1 ZINC000474281549 561070161 /nfs/dbraw/zinc/07/01/61/561070161.db2.gz VFLGGQFBXYNMTO-UHFFFAOYSA-N 1 2 350.382 2.344 20 5 FEBDLO O=[N+]([O-])c1cnc2ccc(N3CCc4c([nH+]cn4-c4ccccc4)C3)nn21 ZINC000476979166 561133541 /nfs/dbraw/zinc/13/35/41/561133541.db2.gz FRKFIRMKCPGBER-UHFFFAOYSA-N 1 2 361.365 2.386 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000531634314 562452396 /nfs/dbraw/zinc/45/23/96/562452396.db2.gz MYEMSZGOZVWNFX-QPJJXVBHSA-N 1 2 352.394 2.461 20 5 FEBDLO CC(C)OC1CC[NH+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000533338568 562505837 /nfs/dbraw/zinc/50/58/37/562505837.db2.gz IGSQAIPNVQIVEB-UHFFFAOYSA-N 1 2 365.386 2.151 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000533417688 562508121 /nfs/dbraw/zinc/50/81/21/562508121.db2.gz JQXQHUBEMFBCRM-BXUZGUMPSA-N 1 2 361.320 2.229 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000533417688 562508122 /nfs/dbraw/zinc/50/81/22/562508122.db2.gz JQXQHUBEMFBCRM-BXUZGUMPSA-N 1 2 361.320 2.229 20 5 FEBDLO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[NH+](Cc2ccncc2)CC1 ZINC000534249667 562528433 /nfs/dbraw/zinc/52/84/33/562528433.db2.gz UHEUTOFOGZBMIA-UHFFFAOYSA-N 1 2 365.393 2.429 20 5 FEBDLO COc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1OC ZINC000534336703 562532068 /nfs/dbraw/zinc/53/20/68/562532068.db2.gz FJGOGPBCWHIDPH-UHFFFAOYSA-N 1 2 358.398 2.329 20 5 FEBDLO Cc1cc[nH+]cc1N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000535368853 562557090 /nfs/dbraw/zinc/55/70/90/562557090.db2.gz LJCNVSCAXMWCIQ-UHFFFAOYSA-N 1 2 369.425 2.367 20 5 FEBDLO CC(C)(C(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000546572094 562637845 /nfs/dbraw/zinc/63/78/45/562637845.db2.gz XGENTBWYFPGWLL-UHFFFAOYSA-N 1 2 367.421 2.239 20 5 FEBDLO CC(C)(C(=O)NCC[N@H+]1CCOCC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000546572094 562637846 /nfs/dbraw/zinc/63/78/46/562637846.db2.gz XGENTBWYFPGWLL-UHFFFAOYSA-N 1 2 367.421 2.239 20 5 FEBDLO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@@H](C)C[N@@H+]1C ZINC000809829939 674514113 /nfs/dbraw/zinc/51/41/13/674514113.db2.gz OUXGMNFVWKLQOG-BDAKNGLRSA-N 1 2 365.814 2.100 20 5 FEBDLO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@@H](C)C[N@H+]1C ZINC000809829939 674514114 /nfs/dbraw/zinc/51/41/14/674514114.db2.gz OUXGMNFVWKLQOG-BDAKNGLRSA-N 1 2 365.814 2.100 20 5 FEBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1n1cc[nH+]c1 ZINC000820728108 607047476 /nfs/dbraw/zinc/04/74/76/607047476.db2.gz STHPEBBYWGRSHO-XHDPSFHLSA-N 1 2 354.374 2.059 20 5 FEBDLO C[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000820728057 607047560 /nfs/dbraw/zinc/04/75/60/607047560.db2.gz RVNYJGDZVMNKPY-NHYWBVRUSA-N 1 2 354.374 2.059 20 5 FEBDLO CS[C@H](CO)[C@@H](C)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000560527711 674597939 /nfs/dbraw/zinc/59/79/39/674597939.db2.gz NXFWBLZQDKDRHB-DFBGVHRSSA-N 1 2 350.444 2.120 20 5 FEBDLO O=C(C[NH+]1CCC2(CC1)OCCO2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000028076745 670086397 /nfs/dbraw/zinc/08/63/97/670086397.db2.gz KWXKOQFVMSVPKP-UHFFFAOYSA-N 1 2 355.778 2.026 20 5 FEBDLO CS(=O)(=O)c1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000609132915 675911157 /nfs/dbraw/zinc/91/11/57/675911157.db2.gz UHKKMEJVWXYLHG-LBPRGKRZSA-N 1 2 350.400 2.036 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609134629 675911263 /nfs/dbraw/zinc/91/12/63/675911263.db2.gz BQKUNCOIJNAGEE-GFCCVEGCSA-N 1 2 370.818 2.471 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)cn1 ZINC000609802302 675936955 /nfs/dbraw/zinc/93/69/55/675936955.db2.gz QRCOEKVTOQOYRG-MRXNPFEDSA-N 1 2 362.817 2.499 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000580488510 671811634 /nfs/dbraw/zinc/81/16/34/671811634.db2.gz TZRHLIOVXCOMNS-CHWSQXEVSA-N 1 2 350.419 2.388 20 5 FEBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000587036300 672439827 /nfs/dbraw/zinc/43/98/27/672439827.db2.gz UPDGTJWJNSNPFG-SNVBAGLBSA-N 1 2 365.187 2.299 20 5 FEBDLO O=[N+]([O-])c1cn(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)nc1-c1ccncc1 ZINC000247003328 672845460 /nfs/dbraw/zinc/84/54/60/672845460.db2.gz PTAHPAGNJZZGOE-UKRRQHHQSA-N 1 2 361.427 2.017 20 5 FEBDLO O=[N+]([O-])c1cn(C[N@H+]2CCS[C@@H]3COCC[C@H]32)nc1-c1ccncc1 ZINC000247003328 672845465 /nfs/dbraw/zinc/84/54/65/672845465.db2.gz PTAHPAGNJZZGOE-UKRRQHHQSA-N 1 2 361.427 2.017 20 5 FEBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594107077 673031843 /nfs/dbraw/zinc/03/18/43/673031843.db2.gz DUTROFCZDHOPLK-SDDRHHMPSA-N 1 2 355.822 2.476 20 5 FEBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594107077 673031849 /nfs/dbraw/zinc/03/18/49/673031849.db2.gz DUTROFCZDHOPLK-SDDRHHMPSA-N 1 2 355.822 2.476 20 5 FEBDLO C[C@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000596540344 673392805 /nfs/dbraw/zinc/39/28/05/673392805.db2.gz KVNFUDDOHNGEFP-MJBXVCDLSA-N 1 2 350.419 2.064 20 5 FEBDLO C[C@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000596540344 673392809 /nfs/dbraw/zinc/39/28/09/673392809.db2.gz KVNFUDDOHNGEFP-MJBXVCDLSA-N 1 2 350.419 2.064 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000596540343 673392824 /nfs/dbraw/zinc/39/28/24/673392824.db2.gz KVNFUDDOHNGEFP-MGPQQGTHSA-N 1 2 350.419 2.064 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000596540343 673392827 /nfs/dbraw/zinc/39/28/27/673392827.db2.gz KVNFUDDOHNGEFP-MGPQQGTHSA-N 1 2 350.419 2.064 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000596787707 673412848 /nfs/dbraw/zinc/41/28/48/673412848.db2.gz KBAVWSFGTRGZOC-OLZOCXBDSA-N 1 2 350.419 2.442 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000596787707 673412849 /nfs/dbraw/zinc/41/28/49/673412849.db2.gz KBAVWSFGTRGZOC-OLZOCXBDSA-N 1 2 350.419 2.442 20 5 FEBDLO C[C@H]([C@H](C)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[NH+]1CCOCC1 ZINC000597095007 673446920 /nfs/dbraw/zinc/44/69/20/673446920.db2.gz NFRYWBISWNIJEV-VHSXEESVSA-N 1 2 371.825 2.061 20 5 FEBDLO C[C@@H]1C[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)CO1 ZINC000597995371 673528002 /nfs/dbraw/zinc/52/80/02/673528002.db2.gz FMVOPAHGWBEZKS-VXGBXAGGSA-N 1 2 355.822 2.016 20 5 FEBDLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)CO1 ZINC000597995371 673528005 /nfs/dbraw/zinc/52/80/05/673528005.db2.gz FMVOPAHGWBEZKS-VXGBXAGGSA-N 1 2 355.822 2.016 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(Br)c1 ZINC000742401136 673726466 /nfs/dbraw/zinc/72/64/66/673726466.db2.gz NGZGVDGJHWQRIG-HUUCEWRRSA-N 1 2 370.247 2.393 20 5 FEBDLO COCC1(O)CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839525978 680759387 /nfs/dbraw/zinc/75/93/87/680759387.db2.gz CETGTNWRYKTVQJ-UHFFFAOYSA-N 1 2 359.220 2.331 20 5 FEBDLO C[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC000840154059 680802848 /nfs/dbraw/zinc/80/28/48/680802848.db2.gz BMEWXEHJRCFYOH-CHWSQXEVSA-N 1 2 353.423 2.232 20 5 FEBDLO C[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC000840154059 680802850 /nfs/dbraw/zinc/80/28/50/680802850.db2.gz BMEWXEHJRCFYOH-CHWSQXEVSA-N 1 2 353.423 2.232 20 5 FEBDLO O=C(C[NH+]1CCC(c2nnc[nH]2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000751500910 680183441 /nfs/dbraw/zinc/18/34/41/680183441.db2.gz RMGSHXGJHPQVEI-UHFFFAOYSA-N 1 2 364.793 2.184 20 5 FEBDLO COc1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ccc1Cl ZINC000981138680 680217400 /nfs/dbraw/zinc/21/74/00/680217400.db2.gz YAZVEKPSUDLRFI-UKRRQHHQSA-N 1 2 367.833 2.048 20 5 FEBDLO COc1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ccc1Cl ZINC000981138680 680217404 /nfs/dbraw/zinc/21/74/04/680217404.db2.gz YAZVEKPSUDLRFI-UKRRQHHQSA-N 1 2 367.833 2.048 20 5 FEBDLO Cc1nc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)cs1 ZINC001034816352 680440247 /nfs/dbraw/zinc/44/02/47/680440247.db2.gz OCTUKSAIXLDCKK-HZPDHXFCSA-N 1 2 360.439 2.023 20 5 FEBDLO CC[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000756908555 680504530 /nfs/dbraw/zinc/50/45/30/680504530.db2.gz HKJZGWYBQVJAMS-OCCSQVGLSA-N 1 2 353.423 2.374 20 5 FEBDLO CC[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000756908555 680504533 /nfs/dbraw/zinc/50/45/33/680504533.db2.gz HKJZGWYBQVJAMS-OCCSQVGLSA-N 1 2 353.423 2.374 20 5 FEBDLO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC001045435766 680629244 /nfs/dbraw/zinc/62/92/44/680629244.db2.gz AGWXPNGKPIOCER-UKRRQHHQSA-N 1 2 353.369 2.101 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCNc1cccc[nH+]1 ZINC000769910764 681000112 /nfs/dbraw/zinc/00/01/12/681000112.db2.gz ZGDRUNZAUYWOPI-UHFFFAOYSA-N 1 2 370.818 2.342 20 5 FEBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000854185013 682522232 /nfs/dbraw/zinc/52/22/32/682522232.db2.gz NLEAWRFHWVQTDZ-GFCCVEGCSA-N 1 2 354.794 2.187 20 5 FEBDLO C[C@H]1C[N@H+](CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000855406146 682666234 /nfs/dbraw/zinc/66/62/34/682666234.db2.gz CGPIGQAMGZCJLH-QWRGUYRKSA-N 1 2 373.812 2.155 20 5 FEBDLO C[C@H]1C[N@@H+](CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000855406146 682666238 /nfs/dbraw/zinc/66/62/38/682666238.db2.gz CGPIGQAMGZCJLH-QWRGUYRKSA-N 1 2 373.812 2.155 20 5 FEBDLO C[C@]1(CO)C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000859833476 683161900 /nfs/dbraw/zinc/16/19/00/683161900.db2.gz VDSUBNKNAGDHCP-GASCZTMLSA-N 1 2 373.247 2.170 20 5 FEBDLO C[C@]1(CO)C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000859833476 683161902 /nfs/dbraw/zinc/16/19/02/683161902.db2.gz VDSUBNKNAGDHCP-GASCZTMLSA-N 1 2 373.247 2.170 20 5 FEBDLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930967042 683812261 /nfs/dbraw/zinc/81/22/61/683812261.db2.gz SVPXKXOZSXWBGT-LBPRGKRZSA-N 1 2 370.203 2.384 20 5 FEBDLO O=C1OCCN1[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930967042 683812267 /nfs/dbraw/zinc/81/22/67/683812267.db2.gz SVPXKXOZSXWBGT-LBPRGKRZSA-N 1 2 370.203 2.384 20 5 FEBDLO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3cc(OC)c(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000932058205 684399526 /nfs/dbraw/zinc/39/95/26/684399526.db2.gz MJECGXYPIXHOKH-BFQNTYOBSA-N 1 2 352.362 2.374 20 5 FEBDLO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](Cc3cc(OC)c(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000932058205 684399531 /nfs/dbraw/zinc/39/95/31/684399531.db2.gz MJECGXYPIXHOKH-BFQNTYOBSA-N 1 2 352.362 2.374 20 5 FEBDLO CO[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@](C)(CO)C1 ZINC000879262733 686782486 /nfs/dbraw/zinc/78/24/86/686782486.db2.gz YWPGMTJTDWBUQX-RISCZKNCSA-N 1 2 359.220 2.329 20 5 FEBDLO CO[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@](C)(CO)C1 ZINC000879262733 686782490 /nfs/dbraw/zinc/78/24/90/686782490.db2.gz YWPGMTJTDWBUQX-RISCZKNCSA-N 1 2 359.220 2.329 20 5 FEBDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)Oc2c(F)cccc2[N+](=O)[O-])C1 ZINC000882075436 687299118 /nfs/dbraw/zinc/29/91/18/687299118.db2.gz UYFRDONKLUKVSW-UHFFFAOYSA-N 1 2 366.370 2.490 20 5 FEBDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)Oc2c(F)cccc2[N+](=O)[O-])C1 ZINC000882075436 687299123 /nfs/dbraw/zinc/29/91/23/687299123.db2.gz UYFRDONKLUKVSW-UHFFFAOYSA-N 1 2 366.370 2.490 20 5 FEBDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891813727 689111380 /nfs/dbraw/zinc/11/13/80/689111380.db2.gz ZLAFXWKPSPTPLA-CYBMUJFWSA-N 1 2 351.403 2.142 20 5 FEBDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891813727 689111383 /nfs/dbraw/zinc/11/13/83/689111383.db2.gz ZLAFXWKPSPTPLA-CYBMUJFWSA-N 1 2 351.403 2.142 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2nc(Cl)n(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)n2)c1 ZINC000902838563 690812068 /nfs/dbraw/zinc/81/20/68/690812068.db2.gz MRTMRHHDCWTSOQ-OKILXGFUSA-N 1 2 363.805 2.370 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2nc(Cl)n(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)n2)c1 ZINC000902838563 690812072 /nfs/dbraw/zinc/81/20/72/690812072.db2.gz MRTMRHHDCWTSOQ-OKILXGFUSA-N 1 2 363.805 2.370 20 5 FEBDLO O=[N+]([O-])c1cnc(N2CC[NH+](CCOc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001165044788 721954504 /nfs/dbraw/zinc/95/45/04/721954504.db2.gz PRFKXHCOVMLGKF-UHFFFAOYSA-N 1 2 373.369 2.099 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccccn2)CC1 ZINC000016483995 539632786 /nfs/dbraw/zinc/63/27/86/539632786.db2.gz KLTAIUDMQODBKO-CQSZACIVSA-N 1 2 355.398 2.139 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccccn2)CC1 ZINC000016483996 539632913 /nfs/dbraw/zinc/63/29/13/539632913.db2.gz KLTAIUDMQODBKO-AWEZNQCLSA-N 1 2 355.398 2.139 20 5 FEBDLO O=C(CN1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)Nc1ccccc1 ZINC000024246201 539728140 /nfs/dbraw/zinc/72/81/40/539728140.db2.gz AYDPRJBZJJOKRN-UHFFFAOYSA-N 1 2 354.410 2.351 20 5 FEBDLO Cc1sc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000025291666 539754544 /nfs/dbraw/zinc/75/45/44/539754544.db2.gz GAXTYHLFFLBWEC-UHFFFAOYSA-N 1 2 362.411 2.126 20 5 FEBDLO Cc1ccc(NC(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C)c1 ZINC000026481804 539787770 /nfs/dbraw/zinc/78/77/70/539787770.db2.gz ZAGRCGVJNKKIQA-UHFFFAOYSA-N 1 2 369.425 2.367 20 5 FEBDLO NC(=O)c1ccc(CN2CC[NH+](Cc3ccsc3)CC2)c([N+](=O)[O-])c1 ZINC000027372954 539806329 /nfs/dbraw/zinc/80/63/29/539806329.db2.gz KACXKSXKBHWRGV-UHFFFAOYSA-N 1 2 360.439 2.073 20 5 FEBDLO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000032248034 539931395 /nfs/dbraw/zinc/93/13/95/539931395.db2.gz IPXARBZEPYXPLZ-SFHVURJKSA-N 1 2 369.421 2.155 20 5 FEBDLO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000032248034 539931399 /nfs/dbraw/zinc/93/13/99/539931399.db2.gz IPXARBZEPYXPLZ-SFHVURJKSA-N 1 2 369.421 2.155 20 5 FEBDLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000032247821 539931539 /nfs/dbraw/zinc/93/15/39/539931539.db2.gz WKAPPZCFLRJKRQ-SFHVURJKSA-N 1 2 355.394 2.226 20 5 FEBDLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000032247821 539931544 /nfs/dbraw/zinc/93/15/44/539931544.db2.gz WKAPPZCFLRJKRQ-SFHVURJKSA-N 1 2 355.394 2.226 20 5 FEBDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000032247819 539931849 /nfs/dbraw/zinc/93/18/49/539931849.db2.gz WKAPPZCFLRJKRQ-GOSISDBHSA-N 1 2 355.394 2.226 20 5 FEBDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000032247819 539931851 /nfs/dbraw/zinc/93/18/51/539931851.db2.gz WKAPPZCFLRJKRQ-GOSISDBHSA-N 1 2 355.394 2.226 20 5 FEBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)Cn3cc([N+](=O)[O-])cn3)n2)C1 ZINC000044688366 540136645 /nfs/dbraw/zinc/13/66/45/540136645.db2.gz CYZIUELEUYXYJT-NSHDSACASA-N 1 2 364.431 2.118 20 5 FEBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)Cn3cc([N+](=O)[O-])cn3)n2)C1 ZINC000044688366 540136648 /nfs/dbraw/zinc/13/66/48/540136648.db2.gz CYZIUELEUYXYJT-NSHDSACASA-N 1 2 364.431 2.118 20 5 FEBDLO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000045296807 540209040 /nfs/dbraw/zinc/20/90/40/540209040.db2.gz SRPVSYVVKQFXPV-UHFFFAOYSA-N 1 2 371.422 2.491 20 5 FEBDLO CCNC(=O)C[N@H+](CC)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000053781253 540553829 /nfs/dbraw/zinc/55/38/29/540553829.db2.gz UIVHGLSWKPVZMV-UHFFFAOYSA-N 1 2 361.345 2.163 20 5 FEBDLO CCNC(=O)C[N@@H+](CC)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000053781253 540553831 /nfs/dbraw/zinc/55/38/31/540553831.db2.gz UIVHGLSWKPVZMV-UHFFFAOYSA-N 1 2 361.345 2.163 20 5 FEBDLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000056965762 540758683 /nfs/dbraw/zinc/75/86/83/540758683.db2.gz UNMMVBJSULPVGI-UHFFFAOYSA-N 1 2 372.400 2.286 20 5 FEBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000057756671 540813959 /nfs/dbraw/zinc/81/39/59/540813959.db2.gz FVQYRZUCNFLWOA-UHFFFAOYSA-N 1 2 372.303 2.391 20 5 FEBDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000058506901 540846743 /nfs/dbraw/zinc/84/67/43/540846743.db2.gz XAZOQTHEHYIKIL-UHFFFAOYSA-N 1 2 365.411 2.436 20 5 FEBDLO Cc1ccc(S(=O)(=O)NCc2cn3c(cccc3C)[nH+]2)cc1[N+](=O)[O-] ZINC000068944429 541643840 /nfs/dbraw/zinc/64/38/40/541643840.db2.gz FCTNGBXZPIGGCI-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO CC[C@H](C)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OC ZINC000070669065 541734506 /nfs/dbraw/zinc/73/45/06/541734506.db2.gz XCTWUZZYUNDPLR-NHYWBVRUSA-N 1 2 360.370 2.098 20 5 FEBDLO CC(C)OCC[NH+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000074391661 542078439 /nfs/dbraw/zinc/07/84/39/542078439.db2.gz WSNSQAMCISPZQJ-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000075109277 542153644 /nfs/dbraw/zinc/15/36/44/542153644.db2.gz JJRSXPNYFXGBPK-UHFFFAOYSA-N 1 2 355.398 2.064 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H]1c1ccc[nH]1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000077170938 542350770 /nfs/dbraw/zinc/35/07/70/542350770.db2.gz PVYGBJVVVUMIPS-ZDUSSCGKSA-N 1 2 358.354 2.427 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H]1c1ccc[nH]1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000077170938 542350774 /nfs/dbraw/zinc/35/07/74/542350774.db2.gz PVYGBJVVVUMIPS-ZDUSSCGKSA-N 1 2 358.354 2.427 20 5 FEBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000080907489 542613502 /nfs/dbraw/zinc/61/35/02/542613502.db2.gz BMWNWQQEKXQQAZ-HNNXBMFYSA-N 1 2 365.455 2.010 20 5 FEBDLO C[C@@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC000081799697 542676850 /nfs/dbraw/zinc/67/68/50/542676850.db2.gz CMTAIQASFZSYPM-ZDUSSCGKSA-N 1 2 368.397 2.258 20 5 FEBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCN(c4ncccn4)CC3)nc2c1 ZINC000083172098 542693077 /nfs/dbraw/zinc/69/30/77/542693077.db2.gz OHPYXUZFHMYYIW-UHFFFAOYSA-N 1 2 354.370 2.238 20 5 FEBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCN(c4ncccn4)CC3)nc2c1 ZINC000083172098 542693080 /nfs/dbraw/zinc/69/30/80/542693080.db2.gz OHPYXUZFHMYYIW-UHFFFAOYSA-N 1 2 354.370 2.238 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+](C)CCOCC2CC2)c([N+](=O)[O-])c1 ZINC000088599962 542753541 /nfs/dbraw/zinc/75/35/41/542753541.db2.gz IAYIRGCEQMZSRT-UHFFFAOYSA-N 1 2 351.403 2.290 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+](C)CCOCC2CC2)c([N+](=O)[O-])c1 ZINC000088599962 542753545 /nfs/dbraw/zinc/75/35/45/542753545.db2.gz IAYIRGCEQMZSRT-UHFFFAOYSA-N 1 2 351.403 2.290 20 5 FEBDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000119080564 543663667 /nfs/dbraw/zinc/66/36/67/543663667.db2.gz RVKIWDGAVSPMFW-CQSZACIVSA-N 1 2 370.409 2.424 20 5 FEBDLO CCC(=O)N1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000122749444 543721344 /nfs/dbraw/zinc/72/13/44/543721344.db2.gz QHGRHDVPZIKYFK-UHFFFAOYSA-N 1 2 359.386 2.089 20 5 FEBDLO CCC(=O)N1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000122749444 543721347 /nfs/dbraw/zinc/72/13/47/543721347.db2.gz QHGRHDVPZIKYFK-UHFFFAOYSA-N 1 2 359.386 2.089 20 5 FEBDLO CC[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000123660832 543775576 /nfs/dbraw/zinc/77/55/76/543775576.db2.gz DEEXEHWJMHRLCZ-NSHDSACASA-N 1 2 373.251 2.299 20 5 FEBDLO CC[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000123660832 543775578 /nfs/dbraw/zinc/77/55/78/543775578.db2.gz DEEXEHWJMHRLCZ-NSHDSACASA-N 1 2 373.251 2.299 20 5 FEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cnc(N3CCOCC3)s1)CC2 ZINC000124769594 543842160 /nfs/dbraw/zinc/84/21/60/543842160.db2.gz BHUXVBRPZMAGST-UHFFFAOYSA-N 1 2 360.439 2.446 20 5 FEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cnc(N3CCOCC3)s1)CC2 ZINC000124769594 543842162 /nfs/dbraw/zinc/84/21/62/543842162.db2.gz BHUXVBRPZMAGST-UHFFFAOYSA-N 1 2 360.439 2.446 20 5 FEBDLO CN1CC[NH+]([C@H]2CCCCN(c3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000127041590 543969516 /nfs/dbraw/zinc/96/95/16/543969516.db2.gz RMJDIVNKGRNDPM-ZDUSSCGKSA-N 1 2 353.854 2.250 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135527747 544350864 /nfs/dbraw/zinc/35/08/64/544350864.db2.gz MGXIZMBQZQRYJZ-JSGCOSHPSA-N 1 2 351.428 2.048 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135527747 544350866 /nfs/dbraw/zinc/35/08/66/544350866.db2.gz MGXIZMBQZQRYJZ-JSGCOSHPSA-N 1 2 351.428 2.048 20 5 FEBDLO COc1cccc(CNC(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153051653 544726761 /nfs/dbraw/zinc/72/67/61/544726761.db2.gz VSPWGYVEDSZEBK-UHFFFAOYSA-N 1 2 355.394 2.278 20 5 FEBDLO COc1cccc(CNC(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153051653 544726767 /nfs/dbraw/zinc/72/67/67/544726767.db2.gz VSPWGYVEDSZEBK-UHFFFAOYSA-N 1 2 355.394 2.278 20 5 FEBDLO O=C(CSc1ccccc1[N+](=O)[O-])N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000154538531 544918836 /nfs/dbraw/zinc/91/88/36/544918836.db2.gz INOQZXBVPYWUQC-ZDUSSCGKSA-N 1 2 358.423 2.477 20 5 FEBDLO C[NH+](C)[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000187097159 328001910 /nfs/dbraw/zinc/00/19/10/328001910.db2.gz YVTDXJQOPAEWAY-CYBMUJFWSA-N 1 2 366.324 2.006 20 5 FEBDLO CSc1cccc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000188139101 328068894 /nfs/dbraw/zinc/06/88/94/328068894.db2.gz LNXZTVJOVNBKKW-NEPJUHHUSA-N 1 2 353.444 2.156 20 5 FEBDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000189759769 328166265 /nfs/dbraw/zinc/16/62/65/328166265.db2.gz OWBIWACFOFLXKH-UHFFFAOYSA-N 1 2 373.413 2.420 20 5 FEBDLO CCc1nnc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)[nH]1 ZINC000190649265 328222082 /nfs/dbraw/zinc/22/20/82/328222082.db2.gz ULHBTEHHCKYCLX-LBPRGKRZSA-N 1 2 372.429 2.482 20 5 FEBDLO CCc1n[nH]c(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000190649265 328222083 /nfs/dbraw/zinc/22/20/83/328222083.db2.gz ULHBTEHHCKYCLX-LBPRGKRZSA-N 1 2 372.429 2.482 20 5 FEBDLO CCc1nc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000190649265 328222085 /nfs/dbraw/zinc/22/20/85/328222085.db2.gz ULHBTEHHCKYCLX-LBPRGKRZSA-N 1 2 372.429 2.482 20 5 FEBDLO COC(=O)[C@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000191172952 328252711 /nfs/dbraw/zinc/25/27/11/328252711.db2.gz ZCHBCJWSEPIJEV-XNRPHZJLSA-N 1 2 372.381 2.418 20 5 FEBDLO COC(=O)[C@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000191172952 328252712 /nfs/dbraw/zinc/25/27/12/328252712.db2.gz ZCHBCJWSEPIJEV-XNRPHZJLSA-N 1 2 372.381 2.418 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC000192049216 328296794 /nfs/dbraw/zinc/29/67/94/328296794.db2.gz WBTYBERCRVHHRB-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000194585858 328430981 /nfs/dbraw/zinc/43/09/81/328430981.db2.gz OLNQMQKUKQRSMJ-UHFFFAOYSA-N 1 2 357.370 2.216 20 5 FEBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000023735531 324405080 /nfs/dbraw/zinc/40/50/80/324405080.db2.gz ACHLRHKDTMRVLD-UHFFFAOYSA-N 1 2 361.423 2.380 20 5 FEBDLO O=C(NCc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccnc2)CC1 ZINC000045621011 324582727 /nfs/dbraw/zinc/58/27/27/324582727.db2.gz PMZKFGFPUNNPMI-UHFFFAOYSA-N 1 2 355.398 2.017 20 5 FEBDLO O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccccc1C[NH+]1CCOCC1 ZINC000065874193 324881153 /nfs/dbraw/zinc/88/11/53/324881153.db2.gz CYGPYYUGHWWZNU-UHFFFAOYSA-N 1 2 370.409 2.478 20 5 FEBDLO O=C(c1ccccc1O)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000080930578 325148330 /nfs/dbraw/zinc/14/83/30/325148330.db2.gz TWCCZKKKSGTHKI-UHFFFAOYSA-N 1 2 355.394 2.301 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000080942490 325149775 /nfs/dbraw/zinc/14/97/75/325149775.db2.gz GYKKWKHVYNRMHX-HNNXBMFYSA-N 1 2 367.833 2.114 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089970115 325346707 /nfs/dbraw/zinc/34/67/07/325346707.db2.gz SWEUFRPLCYTURH-JTQLQIEISA-N 1 2 361.320 2.311 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089968895 325346832 /nfs/dbraw/zinc/34/68/32/325346832.db2.gz RWNRAYMZFNHJQK-UHFFFAOYSA-N 1 2 361.320 2.231 20 5 FEBDLO CCOC(=O)C[C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000089992312 325348228 /nfs/dbraw/zinc/34/82/28/325348228.db2.gz GWADSRSEIQPNSP-GFCCVEGCSA-N 1 2 360.370 2.100 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000105360996 325566498 /nfs/dbraw/zinc/56/64/98/325566498.db2.gz PUSBHCCSJPFFAV-OAHLLOKOSA-N 1 2 369.425 2.135 20 5 FEBDLO O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000111125209 325701566 /nfs/dbraw/zinc/70/15/66/325701566.db2.gz ISOJQLXVIWTOFN-SFHVURJKSA-N 1 2 369.421 2.268 20 5 FEBDLO CC(C)(C)[S@@](=O)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000112300983 325770065 /nfs/dbraw/zinc/77/00/65/325770065.db2.gz JAJPZXXEROSSGN-RUZDIDTESA-N 1 2 364.427 2.058 20 5 FEBDLO CCOC(=O)c1c[nH]n(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1=N ZINC000118838572 326106607 /nfs/dbraw/zinc/10/66/07/326106607.db2.gz FFTKPBKQCZXKCT-UHFFFAOYSA-N 1 2 373.413 2.218 20 5 FEBDLO Cc1cc(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc[nH+]1 ZINC000119614796 326181144 /nfs/dbraw/zinc/18/11/44/326181144.db2.gz VHWFHCUFJNNHFS-UHFFFAOYSA-N 1 2 369.381 2.288 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000120318370 326249179 /nfs/dbraw/zinc/24/91/79/326249179.db2.gz XOGWXBDDUNLHDF-UONOGXRCSA-N 1 2 350.419 2.442 20 5 FEBDLO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121090735 326312798 /nfs/dbraw/zinc/31/27/98/326312798.db2.gz HLSUTVDCBHBCFV-ZDUSSCGKSA-N 1 2 353.338 2.160 20 5 FEBDLO O=C(C1CC1)N1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000121282851 326326788 /nfs/dbraw/zinc/32/67/88/326326788.db2.gz DHYFJCITGKFRAL-UHFFFAOYSA-N 1 2 371.397 2.089 20 5 FEBDLO O=C(C1CC1)N1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000121282851 326326790 /nfs/dbraw/zinc/32/67/90/326326790.db2.gz DHYFJCITGKFRAL-UHFFFAOYSA-N 1 2 371.397 2.089 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCCN(C(=O)C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000121429532 326338343 /nfs/dbraw/zinc/33/83/43/326338343.db2.gz ZIESOMOTHRZIDJ-CQSZACIVSA-N 1 2 374.441 2.175 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCCN(C(=O)C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000121429532 326338345 /nfs/dbraw/zinc/33/83/45/326338345.db2.gz ZIESOMOTHRZIDJ-CQSZACIVSA-N 1 2 374.441 2.175 20 5 FEBDLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000121489061 326342308 /nfs/dbraw/zinc/34/23/08/326342308.db2.gz RZPOXQOLWVVOQK-UHFFFAOYSA-N 1 2 368.440 2.230 20 5 FEBDLO CC[N@H+]1CCc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000121489061 326342310 /nfs/dbraw/zinc/34/23/10/326342310.db2.gz RZPOXQOLWVVOQK-UHFFFAOYSA-N 1 2 368.440 2.230 20 5 FEBDLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])sc2C1 ZINC000121490205 326342390 /nfs/dbraw/zinc/34/23/90/326342390.db2.gz MYZFNYAUKLKMSJ-UHFFFAOYSA-N 1 2 368.440 2.230 20 5 FEBDLO CC[N@H+]1CCc2nc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])sc2C1 ZINC000121490205 326342391 /nfs/dbraw/zinc/34/23/91/326342391.db2.gz MYZFNYAUKLKMSJ-UHFFFAOYSA-N 1 2 368.440 2.230 20 5 FEBDLO COc1cc(CN2CC[NH+](Cc3ccccn3)CC2)c([N+](=O)[O-])cc1OC ZINC000121951654 326377758 /nfs/dbraw/zinc/37/77/58/326377758.db2.gz ALZHCVBRFKJLOX-UHFFFAOYSA-N 1 2 372.425 2.325 20 5 FEBDLO Cc1nn(CCC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1[N+](=O)[O-] ZINC000126120495 326483499 /nfs/dbraw/zinc/48/34/99/326483499.db2.gz KWZQLTHQCJSIOJ-IUODEOHRSA-N 1 2 360.418 2.104 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000151267917 326678390 /nfs/dbraw/zinc/67/83/90/326678390.db2.gz XFNLXVDRJFRPDJ-UKRRQHHQSA-N 1 2 364.427 2.372 20 5 FEBDLO Cc1nc(C2([NH2+]C[C@H](O)COc3cccc([N+](=O)[O-])c3)CCCC2)no1 ZINC000161587167 327003731 /nfs/dbraw/zinc/00/37/31/327003731.db2.gz IWBUWDACIBMQKX-AWEZNQCLSA-N 1 2 362.386 2.085 20 5 FEBDLO CC(C)[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000175218334 327380754 /nfs/dbraw/zinc/38/07/54/327380754.db2.gz PEVHPOJKZQWALS-AWEZNQCLSA-N 1 2 355.822 2.335 20 5 FEBDLO CC(C)(NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000175499203 327396215 /nfs/dbraw/zinc/39/62/15/327396215.db2.gz OFTVJRGIPILZJT-UHFFFAOYSA-N 1 2 364.446 2.240 20 5 FEBDLO CC(C)(NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000175499203 327396216 /nfs/dbraw/zinc/39/62/16/327396216.db2.gz OFTVJRGIPILZJT-UHFFFAOYSA-N 1 2 364.446 2.240 20 5 FEBDLO CC1CC[NH+](Cc2csc(NC(=O)Cn3nccc3[N+](=O)[O-])n2)CC1 ZINC000178465704 327586745 /nfs/dbraw/zinc/58/67/45/327586745.db2.gz OADIWUINKSCRTP-UHFFFAOYSA-N 1 2 364.431 2.118 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247002672 328661701 /nfs/dbraw/zinc/66/17/01/328661701.db2.gz DBFOJGQLCMZMMJ-WFASDCNBSA-N 1 2 364.427 2.372 20 5 FEBDLO CNC(=O)[C@@H]1CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000264691699 329049325 /nfs/dbraw/zinc/04/93/25/329049325.db2.gz CMHDPDWCLVJFAT-CQSZACIVSA-N 1 2 355.398 2.323 20 5 FEBDLO CN1CC[N@H+](C)C[C@H]1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000264725076 329053438 /nfs/dbraw/zinc/05/34/38/329053438.db2.gz IGUKMOLJIKIYEV-QGZVFWFLSA-N 1 2 368.437 2.484 20 5 FEBDLO CN1CC[N@@H+](C)C[C@H]1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000264725076 329053439 /nfs/dbraw/zinc/05/34/39/329053439.db2.gz IGUKMOLJIKIYEV-QGZVFWFLSA-N 1 2 368.437 2.484 20 5 FEBDLO Cc1ccnc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1[N+](=O)[O-] ZINC000265236943 329105903 /nfs/dbraw/zinc/10/59/03/329105903.db2.gz NWJDRIJJVIFCSR-UHFFFAOYSA-N 1 2 352.398 2.268 20 5 FEBDLO CCc1ccc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000266888082 329269622 /nfs/dbraw/zinc/26/96/22/329269622.db2.gz RMGRTUPJQCTIIQ-UHFFFAOYSA-N 1 2 370.409 2.319 20 5 FEBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000267284301 329310624 /nfs/dbraw/zinc/31/06/24/329310624.db2.gz ILZUZEKRLIIZBB-ZDUSSCGKSA-N 1 2 355.398 2.091 20 5 FEBDLO COC(=O)c1cc(N2CC[NH+](Cc3cc(C)no3)CC2)cc(C)c1[N+](=O)[O-] ZINC000267960174 329371961 /nfs/dbraw/zinc/37/19/61/329371961.db2.gz LJSSNFGMNCBGAE-UHFFFAOYSA-N 1 2 374.397 2.308 20 5 FEBDLO CCC(=O)N1CC[C@@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272493789 329785826 /nfs/dbraw/zinc/78/58/26/329785826.db2.gz FKOIGKFSMVPMKJ-PBHICJAKSA-N 1 2 357.414 2.018 20 5 FEBDLO CN(CC[NH+]1CCOCC1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000273117977 329838379 /nfs/dbraw/zinc/83/83/79/329838379.db2.gz FRCYAQJEJPOWIQ-UHFFFAOYSA-N 1 2 373.862 2.131 20 5 FEBDLO C[C@H](NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000275303026 330032671 /nfs/dbraw/zinc/03/26/71/330032671.db2.gz BYQLREMZTPFOHU-BBRMVZONSA-N 1 2 372.429 2.088 20 5 FEBDLO Cc1nc(N2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cc[nH+]1 ZINC000275998307 330110013 /nfs/dbraw/zinc/11/00/13/330110013.db2.gz HMCPZDOENNHONG-UHFFFAOYSA-N 1 2 353.386 2.286 20 5 FEBDLO COC(=O)c1cnc(NCc2ccc(N3CCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000276491626 330157771 /nfs/dbraw/zinc/15/77/71/330157771.db2.gz ASSKHFBGWALZEP-UHFFFAOYSA-N 1 2 357.370 2.384 20 5 FEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000291385176 330188412 /nfs/dbraw/zinc/18/84/12/330188412.db2.gz CPRGQABSAYRXKK-BXUZGUMPSA-N 1 2 353.806 2.183 20 5 FEBDLO O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000155636331 545552487 /nfs/dbraw/zinc/55/24/87/545552487.db2.gz AYONRODQLOUKHW-GFCCVEGCSA-N 1 2 369.368 2.200 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000156719062 545652505 /nfs/dbraw/zinc/65/25/05/545652505.db2.gz QGDQHNSMWKNFFZ-UHFFFAOYSA-N 1 2 353.382 2.225 20 5 FEBDLO CC(C)C(=O)NCC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000157304190 545726627 /nfs/dbraw/zinc/72/66/27/545726627.db2.gz MGDWQSVGWAOOPS-LLVKDONJSA-N 1 2 370.837 2.279 20 5 FEBDLO CC(C)C(=O)NCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000157304190 545726632 /nfs/dbraw/zinc/72/66/32/545726632.db2.gz MGDWQSVGWAOOPS-LLVKDONJSA-N 1 2 370.837 2.279 20 5 FEBDLO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000157613587 545760893 /nfs/dbraw/zinc/76/08/93/545760893.db2.gz CLBHIHMNCFNSQU-AWEZNQCLSA-N 1 2 350.396 2.474 20 5 FEBDLO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000157613587 545760899 /nfs/dbraw/zinc/76/08/99/545760899.db2.gz CLBHIHMNCFNSQU-AWEZNQCLSA-N 1 2 350.396 2.474 20 5 FEBDLO O=C(Nc1ccc(OCCO)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000157960952 545804637 /nfs/dbraw/zinc/80/46/37/545804637.db2.gz ODICQVAQCMSQCN-UHFFFAOYSA-N 1 2 368.349 2.404 20 5 FEBDLO COc1ccc([C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000158978903 545910135 /nfs/dbraw/zinc/91/01/35/545910135.db2.gz SCSPOEFZKJMKRF-OAHLLOKOSA-N 1 2 373.413 2.284 20 5 FEBDLO CCOC(=O)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)c1ccccc1 ZINC000180165439 547061580 /nfs/dbraw/zinc/06/15/80/547061580.db2.gz BWSKLHDMCAAZNL-OAHLLOKOSA-N 1 2 373.409 2.383 20 5 FEBDLO CCOC(=O)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)c1ccccc1 ZINC000180165439 547061585 /nfs/dbraw/zinc/06/15/85/547061585.db2.gz BWSKLHDMCAAZNL-OAHLLOKOSA-N 1 2 373.409 2.383 20 5 FEBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000183907452 547737237 /nfs/dbraw/zinc/73/72/37/547737237.db2.gz AWLSHKHTFFXULO-QGZVFWFLSA-N 1 2 357.366 2.140 20 5 FEBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000183907452 547737242 /nfs/dbraw/zinc/73/72/42/547737242.db2.gz AWLSHKHTFFXULO-QGZVFWFLSA-N 1 2 357.366 2.140 20 5 FEBDLO COC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(C)o1 ZINC000184665155 547862176 /nfs/dbraw/zinc/86/21/76/547862176.db2.gz NWWMPPJLRYWMBK-OAHLLOKOSA-N 1 2 359.382 2.363 20 5 FEBDLO Cc1nc(N2CCN(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc[nH+]1 ZINC000184959014 547907519 /nfs/dbraw/zinc/90/75/19/547907519.db2.gz LFFDPQJACNIXAD-ZDUSSCGKSA-N 1 2 370.413 2.286 20 5 FEBDLO CC[C@@H]1C[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000485599819 561323670 /nfs/dbraw/zinc/32/36/70/561323670.db2.gz JLQFZJRVABQHHD-GFCCVEGCSA-N 1 2 356.810 2.481 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000485599819 561323671 /nfs/dbraw/zinc/32/36/71/561323671.db2.gz JLQFZJRVABQHHD-GFCCVEGCSA-N 1 2 356.810 2.481 20 5 FEBDLO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000486626527 561352621 /nfs/dbraw/zinc/35/26/21/561352621.db2.gz IGLMEWOVUVNTLM-ZDUSSCGKSA-N 1 2 361.851 2.209 20 5 FEBDLO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000486626527 561352622 /nfs/dbraw/zinc/35/26/22/561352622.db2.gz IGLMEWOVUVNTLM-ZDUSSCGKSA-N 1 2 361.851 2.209 20 5 FEBDLO COCCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000245850394 549004510 /nfs/dbraw/zinc/00/45/10/549004510.db2.gz JEFJWUWHLMWVSC-HUUCEWRRSA-N 1 2 365.430 2.358 20 5 FEBDLO COCCO[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000245850394 549004515 /nfs/dbraw/zinc/00/45/15/549004515.db2.gz JEFJWUWHLMWVSC-HUUCEWRRSA-N 1 2 365.430 2.358 20 5 FEBDLO Cn1c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)nnc1-c1ccccc1 ZINC000488721057 561395290 /nfs/dbraw/zinc/39/52/90/561395290.db2.gz LPZAOMFOXXIZPE-UHFFFAOYSA-N 1 2 367.413 2.424 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000488777824 561396834 /nfs/dbraw/zinc/39/68/34/561396834.db2.gz HAWIDTWDORSZDD-UHFFFAOYSA-N 1 2 371.397 2.175 20 5 FEBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cn(-c4ccccc4)nn3)CC2)n1 ZINC000489014907 561401520 /nfs/dbraw/zinc/40/15/20/561401520.db2.gz PNDRXAIALGKPDV-UHFFFAOYSA-N 1 2 353.386 2.209 20 5 FEBDLO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H](C)C1 ZINC000247188051 549295851 /nfs/dbraw/zinc/29/58/51/549295851.db2.gz KWLUPQNVAWYQGC-ZFWWWQNUSA-N 1 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CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493210362 561455075 /nfs/dbraw/zinc/45/50/75/561455075.db2.gz LJNJGBLGUXGAEF-NSHDSACASA-N 1 2 361.851 2.009 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H](OCC2CC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000494702076 561474628 /nfs/dbraw/zinc/47/46/28/561474628.db2.gz IJHAHPJNYWPCHI-QGZVFWFLSA-N 1 2 359.426 2.375 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H](OCC2CC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000494702076 561474629 /nfs/dbraw/zinc/47/46/29/561474629.db2.gz IJHAHPJNYWPCHI-QGZVFWFLSA-N 1 2 359.426 2.375 20 5 FEBDLO COc1cc(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc([N+](=O)[O-])c1C ZINC000279039238 550849677 /nfs/dbraw/zinc/84/96/77/550849677.db2.gz BJXHCCLBWSGIGT-UHFFFAOYSA-N 1 2 365.430 2.095 20 5 FEBDLO COc1cc(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc([N+](=O)[O-])c1C ZINC000279039238 550849678 /nfs/dbraw/zinc/84/96/78/550849678.db2.gz BJXHCCLBWSGIGT-UHFFFAOYSA-N 1 2 365.430 2.095 20 5 FEBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C[C@@H](C)O2 ZINC000279666619 550914533 /nfs/dbraw/zinc/91/45/33/550914533.db2.gz DBUYWIWCHXLZSM-SNUQEOBHSA-N 1 2 374.397 2.413 20 5 FEBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C[C@@H](C)O2 ZINC000279666619 550914535 /nfs/dbraw/zinc/91/45/35/550914535.db2.gz DBUYWIWCHXLZSM-SNUQEOBHSA-N 1 2 374.397 2.413 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280340617 550982685 /nfs/dbraw/zinc/98/26/85/550982685.db2.gz IIWZHFGPPXQEJA-UGSOOPFHSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280340617 550982687 /nfs/dbraw/zinc/98/26/87/550982687.db2.gz IIWZHFGPPXQEJA-UGSOOPFHSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000280920211 551045696 /nfs/dbraw/zinc/04/56/96/551045696.db2.gz JKDGZYLDQBWURC-MJBXVCDLSA-N 1 2 363.414 2.014 20 5 FEBDLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000280920211 551045697 /nfs/dbraw/zinc/04/56/97/551045697.db2.gz JKDGZYLDQBWURC-MJBXVCDLSA-N 1 2 363.414 2.014 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000284382207 551537074 /nfs/dbraw/zinc/53/70/74/551537074.db2.gz FNYPIGNWPSNKRF-HZPDHXFCSA-N 1 2 354.428 2.012 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000284382207 551537077 /nfs/dbraw/zinc/53/70/77/551537077.db2.gz FNYPIGNWPSNKRF-HZPDHXFCSA-N 1 2 354.428 2.012 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCC3(CCOCC3)CC2)cc1 ZINC000284857526 551651889 /nfs/dbraw/zinc/65/18/89/551651889.db2.gz UJBFQWNHUZYWGS-UHFFFAOYSA-N 1 2 368.455 2.261 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCO[C@]4(CCCOC4)C3)o2)cc1 ZINC000285401285 551750016 /nfs/dbraw/zinc/75/00/16/551750016.db2.gz TZYYGDYLRKKSHV-QGZVFWFLSA-N 1 2 360.370 2.026 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCO[C@]4(CCCOC4)C3)o2)cc1 ZINC000285401285 551750018 /nfs/dbraw/zinc/75/00/18/551750018.db2.gz TZYYGDYLRKKSHV-QGZVFWFLSA-N 1 2 360.370 2.026 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285785392 551810381 /nfs/dbraw/zinc/81/03/81/551810381.db2.gz ZBYLBSNWCMUWIY-CYBMUJFWSA-N 1 2 355.398 2.445 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285785392 551810382 /nfs/dbraw/zinc/81/03/82/551810382.db2.gz ZBYLBSNWCMUWIY-CYBMUJFWSA-N 1 2 355.398 2.445 20 5 FEBDLO O=C(C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000286435539 551884876 /nfs/dbraw/zinc/88/48/76/551884876.db2.gz JBGYCYJIYJDUED-WDEREUQCSA-N 1 2 361.320 2.026 20 5 FEBDLO O=C(C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000286435539 551884877 /nfs/dbraw/zinc/88/48/77/551884877.db2.gz JBGYCYJIYJDUED-WDEREUQCSA-N 1 2 361.320 2.026 20 5 FEBDLO COCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccn1 ZINC000286716988 551918238 /nfs/dbraw/zinc/91/82/38/551918238.db2.gz AVSVFLRKKBXCMU-UHFFFAOYSA-N 1 2 370.409 2.028 20 5 FEBDLO COCC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccn1 ZINC000286716988 551918240 /nfs/dbraw/zinc/91/82/40/551918240.db2.gz AVSVFLRKKBXCMU-UHFFFAOYSA-N 1 2 370.409 2.028 20 5 FEBDLO COc1ccc(S(=O)(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)c([N+](=O)[O-])c1 ZINC000288935803 552239416 /nfs/dbraw/zinc/23/94/16/552239416.db2.gz NLWQBMHGIMAZDY-ZDUSSCGKSA-N 1 2 354.388 2.002 20 5 FEBDLO CN(C)c1[nH+]cccc1CNc1c(Br)cncc1[N+](=O)[O-] ZINC000500268388 561569237 /nfs/dbraw/zinc/56/92/37/561569237.db2.gz RSGMIHYECZNEFE-UHFFFAOYSA-N 1 2 352.192 2.247 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ncc(C4OCCO4)s3)nc2c1 ZINC000289601762 552347617 /nfs/dbraw/zinc/34/76/17/552347617.db2.gz JAXXWBIMDYSNKV-UHFFFAOYSA-N 1 2 361.383 2.263 20 5 FEBDLO CC1(C)C[N@H+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCO1 ZINC000289621462 552351316 /nfs/dbraw/zinc/35/13/16/552351316.db2.gz JWMMZAUHEMDNMD-UHFFFAOYSA-N 1 2 356.810 2.481 20 5 FEBDLO CC1(C)C[N@@H+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCO1 ZINC000289621462 552351318 /nfs/dbraw/zinc/35/13/18/552351318.db2.gz JWMMZAUHEMDNMD-UHFFFAOYSA-N 1 2 356.810 2.481 20 5 FEBDLO CC1(C)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1[C@@H]1CCCO1 ZINC000289797980 552380189 /nfs/dbraw/zinc/38/01/89/552380189.db2.gz NNQDEOHMKRQXSL-FUHWJXTLSA-N 1 2 359.426 2.373 20 5 FEBDLO CC1(C)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1[C@@H]1CCCO1 ZINC000289797980 552380193 /nfs/dbraw/zinc/38/01/93/552380193.db2.gz NNQDEOHMKRQXSL-FUHWJXTLSA-N 1 2 359.426 2.373 20 5 FEBDLO CN(C(=O)C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000290075444 552423590 /nfs/dbraw/zinc/42/35/90/552423590.db2.gz YORQBZWCBVLEHC-OAHLLOKOSA-N 1 2 363.805 2.355 20 5 FEBDLO CN(C(=O)C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000290075444 552423593 /nfs/dbraw/zinc/42/35/93/552423593.db2.gz YORQBZWCBVLEHC-OAHLLOKOSA-N 1 2 363.805 2.355 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000290079201 552424377 /nfs/dbraw/zinc/42/43/77/552424377.db2.gz YVVFFKQKVAQWCB-DZGCQCFKSA-N 1 2 373.413 2.382 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000290079201 552424378 /nfs/dbraw/zinc/42/43/78/552424378.db2.gz YVVFFKQKVAQWCB-DZGCQCFKSA-N 1 2 373.413 2.382 20 5 FEBDLO Cn1c[nH+]cc1CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000291176134 552596475 /nfs/dbraw/zinc/59/64/75/552596475.db2.gz BKFJECMCRLKVTR-UHFFFAOYSA-N 1 2 371.319 2.466 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291372667 552619706 /nfs/dbraw/zinc/61/97/06/552619706.db2.gz ANRNKVZJIIYGGD-SECBINFHSA-N 1 2 362.213 2.352 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC(F)(F)[C@@H](CO)C3)n2)cc1 ZINC000291891932 552672286 /nfs/dbraw/zinc/67/22/86/552672286.db2.gz QTXNTZUIOBVUDU-LLVKDONJSA-N 1 2 354.313 2.094 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC(F)(F)[C@@H](CO)C3)n2)cc1 ZINC000291891932 552672287 /nfs/dbraw/zinc/67/22/87/552672287.db2.gz QTXNTZUIOBVUDU-LLVKDONJSA-N 1 2 354.313 2.094 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCOC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000292058924 552689355 /nfs/dbraw/zinc/68/93/55/552689355.db2.gz CHELPNKZNLLVFF-CQSZACIVSA-N 1 2 363.414 2.290 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCOC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000292058924 552689356 /nfs/dbraw/zinc/68/93/56/552689356.db2.gz CHELPNKZNLLVFF-CQSZACIVSA-N 1 2 363.414 2.290 20 5 FEBDLO Cc1nc(CC[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000292986510 552777458 /nfs/dbraw/zinc/77/74/58/552777458.db2.gz BUIZQPVHVMLCIK-UHFFFAOYSA-N 1 2 360.439 2.360 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000293789455 552856587 /nfs/dbraw/zinc/85/65/87/552856587.db2.gz AXFMZTKJRQKDOR-QGZVFWFLSA-N 1 2 368.397 2.461 20 5 FEBDLO CNS(=O)(=O)c1ccc(NCCCc2[nH+]cccc2C)c([N+](=O)[O-])c1 ZINC000294968139 552947982 /nfs/dbraw/zinc/94/79/82/552947982.db2.gz KQTMJGMLSBEJII-UHFFFAOYSA-N 1 2 364.427 2.251 20 5 FEBDLO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000295055625 552954621 /nfs/dbraw/zinc/95/46/21/552954621.db2.gz SXVWZXSTKQZHPV-ZDUSSCGKSA-N 1 2 353.806 2.185 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1(C)C ZINC000295173658 552966211 /nfs/dbraw/zinc/96/62/11/552966211.db2.gz ATMYSWRUKAJGPD-CYBMUJFWSA-N 1 2 368.390 2.239 20 5 FEBDLO Cc1cc(Cl)c(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000295304399 552984549 /nfs/dbraw/zinc/98/45/49/552984549.db2.gz RIZKZZUJHSWOTP-VXGBXAGGSA-N 1 2 355.822 2.396 20 5 FEBDLO CO[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000296286061 553135195 /nfs/dbraw/zinc/13/51/95/553135195.db2.gz ZFGGGMQYVCKDGY-HNNXBMFYSA-N 1 2 356.444 2.115 20 5 FEBDLO CO[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000296286061 553135197 /nfs/dbraw/zinc/13/51/97/553135197.db2.gz ZFGGGMQYVCKDGY-HNNXBMFYSA-N 1 2 356.444 2.115 20 5 FEBDLO Cc1cc(F)c(NC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000296781711 553210767 /nfs/dbraw/zinc/21/07/67/553210767.db2.gz PPEWUWGGUJRQIG-WBMJQRKESA-N 1 2 366.393 2.227 20 5 FEBDLO O=[N+]([O-])c1ccc(NCc2ccc[nH+]c2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000298277875 553407139 /nfs/dbraw/zinc/40/71/39/553407139.db2.gz ONVGOSKUKDTTIB-UHFFFAOYSA-N 1 2 359.342 2.347 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000298822791 553477548 /nfs/dbraw/zinc/47/75/48/553477548.db2.gz ZZGYMSLFXGEIKH-NXEZZACHSA-N 1 2 355.778 2.070 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000298822791 553477546 /nfs/dbraw/zinc/47/75/46/553477546.db2.gz ZZGYMSLFXGEIKH-NXEZZACHSA-N 1 2 355.778 2.070 20 5 FEBDLO Cc1cc(NC(=O)C(=O)NCCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000299187395 553527216 /nfs/dbraw/zinc/52/72/16/553527216.db2.gz CKSFWDRBJDIDBI-UHFFFAOYSA-N 1 2 371.397 2.245 20 5 FEBDLO O=[N+]([O-])c1ccc(NCc2ccccc2OCC[NH+]2CCOCC2)nc1 ZINC000299328622 553548786 /nfs/dbraw/zinc/54/87/86/553548786.db2.gz IUZAZEHUDAQCJI-UHFFFAOYSA-N 1 2 358.398 2.313 20 5 FEBDLO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000504207311 561654501 /nfs/dbraw/zinc/65/45/01/561654501.db2.gz GWUDEVULZNLAAZ-UHFFFAOYSA-N 1 2 372.400 2.490 20 5 FEBDLO Cc1cc(N2CCN(C(=O)N(C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301096863 553621851 /nfs/dbraw/zinc/62/18/51/553621851.db2.gz JPRZSYGCQFVQQL-UHFFFAOYSA-N 1 2 370.413 2.164 20 5 FEBDLO CC(=O)c1ccc(N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000301810625 553681853 /nfs/dbraw/zinc/68/18/53/553681853.db2.gz XFXJWTVCCNHBAY-KRWDZBQOSA-N 1 2 360.458 2.404 20 5 FEBDLO CN(C)c1[nH+]cccc1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301932822 553693075 /nfs/dbraw/zinc/69/30/75/553693075.db2.gz MYJYAJPUAVFYFX-UHFFFAOYSA-N 1 2 356.429 2.133 20 5 FEBDLO Nc1ccc(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])c[nH+]1 ZINC000302768891 553731536 /nfs/dbraw/zinc/73/15/36/553731536.db2.gz MMIHTFKBFIQOBU-UHFFFAOYSA-N 1 2 358.326 2.180 20 5 FEBDLO O=[N+]([O-])c1ccc2c(c1NC[C@@]1([NH+]3CCOCC3)CCSC1)CCN2 ZINC000302862575 553737889 /nfs/dbraw/zinc/73/78/89/553737889.db2.gz WFRMSSXTZPAXHP-KRWDZBQOSA-N 1 2 364.471 2.183 20 5 FEBDLO Cc1n[nH]c(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000330652797 554150791 /nfs/dbraw/zinc/15/07/91/554150791.db2.gz JAJXPMJOVYFWNQ-LBPRGKRZSA-N 1 2 361.377 2.284 20 5 FEBDLO Cc1[nH]nc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000330652797 554150796 /nfs/dbraw/zinc/15/07/96/554150796.db2.gz JAJXPMJOVYFWNQ-LBPRGKRZSA-N 1 2 361.377 2.284 20 5 FEBDLO C[C@H](C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000330811772 554174631 /nfs/dbraw/zinc/17/46/31/554174631.db2.gz BGEWUPFDUAASHS-NSHDSACASA-N 1 2 366.393 2.295 20 5 FEBDLO O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccccc1Oc1cc[nH+]cc1 ZINC000509161053 561787599 /nfs/dbraw/zinc/78/75/99/561787599.db2.gz KUHVBFKFXKTMSN-UHFFFAOYSA-N 1 2 353.338 2.409 20 5 FEBDLO CS(=O)(=O)NCC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000510222158 561828867 /nfs/dbraw/zinc/82/88/67/561828867.db2.gz LDQNVVBWZRRZSQ-UHFFFAOYSA-N 1 2 361.851 2.009 20 5 FEBDLO Cc1ccc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000510381628 561832885 /nfs/dbraw/zinc/83/28/85/561832885.db2.gz RYQCDLVJTUZIQM-AWEZNQCLSA-N 1 2 350.400 2.066 20 5 FEBDLO O=[N+]([O-])c1ccc(OCc2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000351023781 554830592 /nfs/dbraw/zinc/83/05/92/554830592.db2.gz JUCKSAODWXTHEL-UKRRQHHQSA-N 1 2 360.370 2.483 20 5 FEBDLO O=[N+]([O-])c1ccc(OCc2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000351023781 554830594 /nfs/dbraw/zinc/83/05/94/554830594.db2.gz JUCKSAODWXTHEL-UKRRQHHQSA-N 1 2 360.370 2.483 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nc(COC[C@H]3CCOC3)no2)cc1-n1cc[nH+]c1 ZINC000351432606 554855170 /nfs/dbraw/zinc/85/51/70/554855170.db2.gz FEWNSYZPWITTDJ-LBPRGKRZSA-N 1 2 371.353 2.384 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000360991366 554899240 /nfs/dbraw/zinc/89/92/40/554899240.db2.gz VEKZDUWRUUKEKN-INIZCTEOSA-N 1 2 366.381 2.491 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3ccncn3)C2)c([N+](=O)[O-])c1 ZINC000363015003 555010701 /nfs/dbraw/zinc/01/07/01/555010701.db2.gz SMINNVYYPSHZAK-ZDUSSCGKSA-N 1 2 371.397 2.212 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3ccncn3)C2)c([N+](=O)[O-])c1 ZINC000363015003 555010702 /nfs/dbraw/zinc/01/07/02/555010702.db2.gz SMINNVYYPSHZAK-ZDUSSCGKSA-N 1 2 371.397 2.212 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN([C@H](CC)C(=O)OC)CC1 ZINC000511872440 561883552 /nfs/dbraw/zinc/88/35/52/561883552.db2.gz IMWIBYPHMSZCPJ-MRXNPFEDSA-N 1 2 365.430 2.063 20 5 FEBDLO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000363467201 555113091 /nfs/dbraw/zinc/11/30/91/555113091.db2.gz INRHLXRJHRUWDA-SJORKVTESA-N 1 2 374.441 2.399 20 5 FEBDLO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000363467201 555113092 /nfs/dbraw/zinc/11/30/92/555113092.db2.gz INRHLXRJHRUWDA-SJORKVTESA-N 1 2 374.441 2.399 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1C ZINC000363962628 555222908 /nfs/dbraw/zinc/22/29/08/555222908.db2.gz CBCNPNNQZFRDCN-GFCCVEGCSA-N 1 2 350.400 2.461 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512802398 561915757 /nfs/dbraw/zinc/91/57/57/561915757.db2.gz SUKIQSVSPXVFAE-JTQLQIEISA-N 1 2 359.329 2.103 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512802398 561915759 /nfs/dbraw/zinc/91/57/59/561915759.db2.gz SUKIQSVSPXVFAE-JTQLQIEISA-N 1 2 359.329 2.103 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365772004 555664300 /nfs/dbraw/zinc/66/43/00/555664300.db2.gz ZBHAFOPDQHRIEK-SUMWQHHRSA-N 1 2 356.382 2.470 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365772004 555664304 /nfs/dbraw/zinc/66/43/04/555664304.db2.gz ZBHAFOPDQHRIEK-SUMWQHHRSA-N 1 2 356.382 2.470 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000365772004 555664306 /nfs/dbraw/zinc/66/43/06/555664306.db2.gz ZBHAFOPDQHRIEK-SUMWQHHRSA-N 1 2 356.382 2.470 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000365772004 555664309 /nfs/dbraw/zinc/66/43/09/555664309.db2.gz ZBHAFOPDQHRIEK-SUMWQHHRSA-N 1 2 356.382 2.470 20 5 FEBDLO C[C@@H](CN1CCCC1=O)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513683877 561946588 /nfs/dbraw/zinc/94/65/88/561946588.db2.gz NKVNONAKVHVQSM-SUMWQHHRSA-N 1 2 357.414 2.018 20 5 FEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCc3c(nnn3-c3ccccc3)C2)c1 ZINC000366606583 555888827 /nfs/dbraw/zinc/88/88/27/555888827.db2.gz CNCSXORYOLNOQT-IBGZPJMESA-N 1 2 365.393 2.267 20 5 FEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCc3c(nnn3-c3ccccc3)C2)c1 ZINC000366606583 555888829 /nfs/dbraw/zinc/88/88/29/555888829.db2.gz CNCSXORYOLNOQT-IBGZPJMESA-N 1 2 365.393 2.267 20 5 FEBDLO C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@@H](C)[NH+]1CCOCC1 ZINC000514208138 561963616 /nfs/dbraw/zinc/96/36/16/561963616.db2.gz JQGBSTKEYDTQOS-GHMZBOCLSA-N 1 2 373.356 2.035 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3cc[nH]c(=O)c3C2)c([N+](=O)[O-])c1 ZINC000366812304 555940560 /nfs/dbraw/zinc/94/05/60/555940560.db2.gz UCOFPFPXXUTAPA-LLVKDONJSA-N 1 2 372.381 2.089 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3cc[nH]c(=O)c3C2)c([N+](=O)[O-])c1 ZINC000366812304 555940563 /nfs/dbraw/zinc/94/05/63/555940563.db2.gz UCOFPFPXXUTAPA-LLVKDONJSA-N 1 2 372.381 2.089 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3cc[nH]c(=O)c3C2)c([N+](=O)[O-])c1 ZINC000366812305 555940644 /nfs/dbraw/zinc/94/06/44/555940644.db2.gz UCOFPFPXXUTAPA-NSHDSACASA-N 1 2 372.381 2.089 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3cc[nH]c(=O)c3C2)c([N+](=O)[O-])c1 ZINC000366812305 555940647 /nfs/dbraw/zinc/94/06/47/555940647.db2.gz UCOFPFPXXUTAPA-NSHDSACASA-N 1 2 372.381 2.089 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000366891848 555961562 /nfs/dbraw/zinc/96/15/62/555961562.db2.gz XOAZJIIWIFLNHK-STQMWFEESA-N 1 2 370.413 2.174 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000366891848 555961566 /nfs/dbraw/zinc/96/15/66/555961566.db2.gz XOAZJIIWIFLNHK-STQMWFEESA-N 1 2 370.413 2.174 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC(c3c[nH]c[nH+]3)CC2)s1 ZINC000367770139 556134410 /nfs/dbraw/zinc/13/44/10/556134410.db2.gz QDNOGXQZVMWDNM-UHFFFAOYSA-N 1 2 356.429 2.167 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC(c3c[nH+]c[nH]3)CC2)s1 ZINC000367770139 556134411 /nfs/dbraw/zinc/13/44/11/556134411.db2.gz QDNOGXQZVMWDNM-UHFFFAOYSA-N 1 2 356.429 2.167 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@H]4CCOC[C@@H]43)o2)c1 ZINC000367769699 556134774 /nfs/dbraw/zinc/13/47/74/556134774.db2.gz DXDKBIPZAWPPPM-HOTGVXAUSA-N 1 2 359.382 2.282 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@H]4CCOC[C@@H]43)o2)c1 ZINC000367769699 556134776 /nfs/dbraw/zinc/13/47/76/556134776.db2.gz DXDKBIPZAWPPPM-HOTGVXAUSA-N 1 2 359.382 2.282 20 5 FEBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000368530864 556337403 /nfs/dbraw/zinc/33/74/03/556337403.db2.gz QMMHJPJWDIJQHE-SUHUHFCYSA-N 1 2 373.369 2.136 20 5 FEBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000368530864 556337406 /nfs/dbraw/zinc/33/74/06/556337406.db2.gz QMMHJPJWDIJQHE-SUHUHFCYSA-N 1 2 373.369 2.136 20 5 FEBDLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)nn1 ZINC000368707824 556393122 /nfs/dbraw/zinc/39/31/22/556393122.db2.gz SNWWAYMYVQYDCL-LLVKDONJSA-N 1 2 365.777 2.073 20 5 FEBDLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)nn1 ZINC000368707824 556393129 /nfs/dbraw/zinc/39/31/29/556393129.db2.gz SNWWAYMYVQYDCL-LLVKDONJSA-N 1 2 365.777 2.073 20 5 FEBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C[C@@H](C)O2 ZINC000369318498 556573548 /nfs/dbraw/zinc/57/35/48/556573548.db2.gz DCPLOUHVHQLMCI-VBHSOAQHSA-N 1 2 374.397 2.413 20 5 FEBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C[C@@H](C)O2 ZINC000369318498 556573552 /nfs/dbraw/zinc/57/35/52/556573552.db2.gz DCPLOUHVHQLMCI-VBHSOAQHSA-N 1 2 374.397 2.413 20 5 FEBDLO Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H](C)c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000516216788 562036617 /nfs/dbraw/zinc/03/66/17/562036617.db2.gz SDWWKVBPOIXSBA-DOMZBBRYSA-N 1 2 371.397 2.108 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370906532 557010349 /nfs/dbraw/zinc/01/03/49/557010349.db2.gz WGRFPTWZASEUNT-LSDHHAIUSA-N 1 2 374.441 2.399 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370906532 557010351 /nfs/dbraw/zinc/01/03/51/557010351.db2.gz WGRFPTWZASEUNT-LSDHHAIUSA-N 1 2 374.441 2.399 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000517658966 562094951 /nfs/dbraw/zinc/09/49/51/562094951.db2.gz GNFPLQJVTAKVCM-HNNXBMFYSA-N 1 2 368.455 2.117 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000517658966 562094952 /nfs/dbraw/zinc/09/49/52/562094952.db2.gz GNFPLQJVTAKVCM-HNNXBMFYSA-N 1 2 368.455 2.117 20 5 FEBDLO COc1ccc(OCC[N@@H+]2CCO[C@H](COC(C)C)C2)c([N+](=O)[O-])c1 ZINC000372167255 557398396 /nfs/dbraw/zinc/39/83/96/557398396.db2.gz PYSPSXCQHZCJHU-HNNXBMFYSA-N 1 2 354.403 2.108 20 5 FEBDLO COc1ccc(OCC[N@H+]2CCO[C@H](COC(C)C)C2)c([N+](=O)[O-])c1 ZINC000372167255 557398398 /nfs/dbraw/zinc/39/83/98/557398398.db2.gz PYSPSXCQHZCJHU-HNNXBMFYSA-N 1 2 354.403 2.108 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000372796176 557563944 /nfs/dbraw/zinc/56/39/44/557563944.db2.gz BNVZHMGWGYYPIH-ZDUSSCGKSA-N 1 2 364.427 2.123 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000373717709 557744408 /nfs/dbraw/zinc/74/44/08/557744408.db2.gz FGQBMLKVNSCKNW-UHFFFAOYSA-N 1 2 358.398 2.280 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000373717709 557744409 /nfs/dbraw/zinc/74/44/09/557744409.db2.gz FGQBMLKVNSCKNW-UHFFFAOYSA-N 1 2 358.398 2.280 20 5 FEBDLO COc1ccc(OCC[N@@H+]2CCO[C@@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000520806098 562164227 /nfs/dbraw/zinc/16/42/27/562164227.db2.gz AIWAIFDVVZTTDN-INIZCTEOSA-N 1 2 354.428 2.190 20 5 FEBDLO COc1ccc(OCC[N@H+]2CCO[C@@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000520806098 562164228 /nfs/dbraw/zinc/16/42/28/562164228.db2.gz AIWAIFDVVZTTDN-INIZCTEOSA-N 1 2 354.428 2.190 20 5 FEBDLO NC(=O)[C@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000374320620 557865083 /nfs/dbraw/zinc/86/50/83/557865083.db2.gz LCSODKJGKPWTCX-GOSISDBHSA-N 1 2 368.393 2.008 20 5 FEBDLO NC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000374320620 557865084 /nfs/dbraw/zinc/86/50/84/557865084.db2.gz LCSODKJGKPWTCX-GOSISDBHSA-N 1 2 368.393 2.008 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000374334046 557867644 /nfs/dbraw/zinc/86/76/44/557867644.db2.gz SZBFIPFCKCNYOB-ZDUSSCGKSA-N 1 2 366.381 2.144 20 5 FEBDLO COc1ccccc1[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000374347019 557869242 /nfs/dbraw/zinc/86/92/42/557869242.db2.gz BNZZMDAXXGFZSZ-QGZVFWFLSA-N 1 2 355.394 2.319 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOc3c(Br)cccc3C2)c1 ZINC000375675561 558065899 /nfs/dbraw/zinc/06/58/99/558065899.db2.gz DSDXHEOWDKLJDK-UHFFFAOYSA-N 1 2 367.203 2.448 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCOc3c(Br)cccc3C2)c1 ZINC000375675561 558065900 /nfs/dbraw/zinc/06/59/00/558065900.db2.gz DSDXHEOWDKLJDK-UHFFFAOYSA-N 1 2 367.203 2.448 20 5 FEBDLO COC(=O)[C@H](c1ccsc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000375922836 558100346 /nfs/dbraw/zinc/10/03/46/558100346.db2.gz XIJUSXCQMJTIJP-AWEZNQCLSA-N 1 2 350.400 2.404 20 5 FEBDLO COC(=O)c1cc(C)nc(NC[C@@H]2CCCn3cc(C)[nH+]c32)c1[N+](=O)[O-] ZINC000376402996 558168951 /nfs/dbraw/zinc/16/89/51/558168951.db2.gz LKXTZZLGUMFMDI-LBPRGKRZSA-N 1 2 359.386 2.579 20 5 FEBDLO Cc1ccc(S(=O)(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000376911323 558237720 /nfs/dbraw/zinc/23/77/20/558237720.db2.gz MZZONUSPTSGMLW-UHFFFAOYSA-N 1 2 364.427 2.257 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C2 ZINC000377297641 558309214 /nfs/dbraw/zinc/30/92/14/558309214.db2.gz KGVGXLBVTIMHGJ-LBPRGKRZSA-N 1 2 359.342 2.061 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CCC2 ZINC000378253647 558512786 /nfs/dbraw/zinc/51/27/86/558512786.db2.gz REYIGKCOSQQAJI-LLVKDONJSA-N 1 2 368.390 2.095 20 5 FEBDLO Cc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000378430362 558555609 /nfs/dbraw/zinc/55/56/09/558555609.db2.gz UTTLJLUOTJMTDP-UHFFFAOYSA-N 1 2 359.430 2.017 20 5 FEBDLO CO[C@@]1(CO)CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000401880843 558630149 /nfs/dbraw/zinc/63/01/49/558630149.db2.gz QGVMKRNBWJKZSN-AWEZNQCLSA-N 1 2 359.220 2.331 20 5 FEBDLO CO[C@@]1(CO)CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000401880843 558630151 /nfs/dbraw/zinc/63/01/51/558630151.db2.gz QGVMKRNBWJKZSN-AWEZNQCLSA-N 1 2 359.220 2.331 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000408182411 558654026 /nfs/dbraw/zinc/65/40/26/558654026.db2.gz KBSYJJWUMNYPQS-GXTWGEPZSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000408182411 558654029 /nfs/dbraw/zinc/65/40/29/558654029.db2.gz KBSYJJWUMNYPQS-GXTWGEPZSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)cc1C ZINC000408182758 558654839 /nfs/dbraw/zinc/65/48/39/558654839.db2.gz NAAUWLKOJVVDAR-GJZGRUSLSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)cc1C ZINC000408182758 558654840 /nfs/dbraw/zinc/65/48/40/558654840.db2.gz NAAUWLKOJVVDAR-GJZGRUSLSA-N 1 2 367.471 2.459 20 5 FEBDLO O=C(N[C@]1(C(F)(F)F)CCOC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000410858449 558817572 /nfs/dbraw/zinc/81/75/72/558817572.db2.gz KYOLGAULYFPEJQ-CQSZACIVSA-N 1 2 370.287 2.232 20 5 FEBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000411214211 558854293 /nfs/dbraw/zinc/85/42/93/558854293.db2.gz DXPFGMZEJOLMKI-RBUKOAKNSA-N 1 2 366.421 2.438 20 5 FEBDLO CC(C)Cn1cc[nH+]c1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000525765064 562254308 /nfs/dbraw/zinc/25/43/08/562254308.db2.gz KZKFHGCIWYVLTL-UHFFFAOYSA-N 1 2 361.402 2.326 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000411834756 558973025 /nfs/dbraw/zinc/97/30/25/558973025.db2.gz PYBHKQRCTWTFQS-UHFFFAOYSA-N 1 2 373.862 2.248 20 5 FEBDLO CC(C)Oc1cc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000412042919 559005928 /nfs/dbraw/zinc/00/59/28/559005928.db2.gz UWSZKIRDLRWOFH-UONOGXRCSA-N 1 2 365.430 2.221 20 5 FEBDLO CCN1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000412276849 559024339 /nfs/dbraw/zinc/02/43/39/559024339.db2.gz VBQWISUMJIOSTD-GVDBMIGSSA-N 1 2 369.425 2.327 20 5 FEBDLO COC(=O)[C@H](CC(C)C)NC(=O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413224643 559089788 /nfs/dbraw/zinc/08/97/88/559089788.db2.gz MVRGYRJUYQPZHM-HNNXBMFYSA-N 1 2 374.397 2.259 20 5 FEBDLO C[C@H](O)[C@@H]1CCN(c2cc(N(C)CCc3cccc([N+](=O)[O-])c3)[nH+]cn2)C1 ZINC000413282150 559095134 /nfs/dbraw/zinc/09/51/34/559095134.db2.gz LNGHJUNTYRGMLR-GOEBONIOSA-N 1 2 371.441 2.271 20 5 FEBDLO C[C@H](O)[C@@H]1CCN(c2cc(N(C)CCc3cccc([N+](=O)[O-])c3)nc[nH+]2)C1 ZINC000413282150 559095135 /nfs/dbraw/zinc/09/51/35/559095135.db2.gz LNGHJUNTYRGMLR-GOEBONIOSA-N 1 2 371.441 2.271 20 5 FEBDLO CCn1cc([C@@H]2OCC[C@H]2C[NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)cn1 ZINC000413508419 559112942 /nfs/dbraw/zinc/11/29/42/559112942.db2.gz GHCKISSQLAFZAR-MEDUHNTESA-N 1 2 356.386 2.299 20 5 FEBDLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000526119871 562267487 /nfs/dbraw/zinc/26/74/87/562267487.db2.gz CXCQJXXFZULVCX-QGZVFWFLSA-N 1 2 362.357 2.487 20 5 FEBDLO CC(C)Oc1cc(C(=O)NC(C)(C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000413950841 559142656 /nfs/dbraw/zinc/14/26/56/559142656.db2.gz ALXHELIQRAGDSA-UHFFFAOYSA-N 1 2 365.430 2.223 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000414468585 559166540 /nfs/dbraw/zinc/16/65/40/559166540.db2.gz KNQWYCNAKDWUFW-GFCCVEGCSA-N 1 2 352.416 2.023 20 5 FEBDLO Cc1cc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)c(C)cc1[N+](=O)[O-] ZINC000416479795 559316375 /nfs/dbraw/zinc/31/63/75/559316375.db2.gz MNLKGWDRQPDWMG-OAHLLOKOSA-N 1 2 364.427 2.375 20 5 FEBDLO Cc1cc(N2C[C@@H](CO)OC(C)(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420634887 559494463 /nfs/dbraw/zinc/49/44/63/559494463.db2.gz UGGFQUGHMSKZRV-HNNXBMFYSA-N 1 2 358.398 2.336 20 5 FEBDLO COc1ccc(S(=O)(=O)NCc2cc(C)[nH+]c(C)c2)c([N+](=O)[O-])c1 ZINC000420696597 559498812 /nfs/dbraw/zinc/49/88/12/559498812.db2.gz HETFSOAXLUSRHZ-UHFFFAOYSA-N 1 2 351.384 2.094 20 5 FEBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420926864 559512047 /nfs/dbraw/zinc/51/20/47/559512047.db2.gz AMOMRBSRBGOPGI-SMDDNHRTSA-N 1 2 362.386 2.178 20 5 FEBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420926864 559512048 /nfs/dbraw/zinc/51/20/48/559512048.db2.gz AMOMRBSRBGOPGI-SMDDNHRTSA-N 1 2 362.386 2.178 20 5 FEBDLO COC(=O)c1cc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc([N+](=O)[O-])c1 ZINC000429512085 559800192 /nfs/dbraw/zinc/80/01/92/559800192.db2.gz AHYVKEIZWHMRLS-UHFFFAOYSA-N 1 2 372.381 2.186 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000430211720 559815367 /nfs/dbraw/zinc/81/53/67/559815367.db2.gz JXXJDBABYJGLHK-UHFFFAOYSA-N 1 2 370.409 2.025 20 5 FEBDLO O=C(C[N@@H+]1CC[C@H](Oc2ccncc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000431621858 559842709 /nfs/dbraw/zinc/84/27/09/559842709.db2.gz NOFCPDIUXAWAII-KRWDZBQOSA-N 1 2 368.393 2.032 20 5 FEBDLO O=C(C[N@H+]1CC[C@H](Oc2ccncc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000431621858 559842710 /nfs/dbraw/zinc/84/27/10/559842710.db2.gz NOFCPDIUXAWAII-KRWDZBQOSA-N 1 2 368.393 2.032 20 5 FEBDLO CCNC(=O)[C@@H](Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000432150486 559852980 /nfs/dbraw/zinc/85/29/80/559852980.db2.gz NAQROWYJKGUCEF-INIZCTEOSA-N 1 2 357.414 2.355 20 5 FEBDLO CC(C)c1n[nH]c(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000433871735 559889241 /nfs/dbraw/zinc/88/92/41/559889241.db2.gz XTZXHMQSYWXVCM-UHFFFAOYSA-N 1 2 363.443 2.461 20 5 FEBDLO CC(C)c1[nH]nc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000433871735 559889242 /nfs/dbraw/zinc/88/92/42/559889242.db2.gz XTZXHMQSYWXVCM-UHFFFAOYSA-N 1 2 363.443 2.461 20 5 FEBDLO Cc1sc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)cc1[N+](=O)[O-] ZINC000433971336 559891796 /nfs/dbraw/zinc/89/17/96/559891796.db2.gz XJZOGLLUFIVRQN-UHFFFAOYSA-N 1 2 374.422 2.060 20 5 FEBDLO Cc1sc(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)cc1[N+](=O)[O-] ZINC000433971336 559891797 /nfs/dbraw/zinc/89/17/97/559891797.db2.gz XJZOGLLUFIVRQN-UHFFFAOYSA-N 1 2 374.422 2.060 20 5 FEBDLO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436868956 559954904 /nfs/dbraw/zinc/95/49/04/559954904.db2.gz JWBCLSJSQAEYSF-UHFFFAOYSA-N 1 2 371.393 2.063 20 5 FEBDLO Cc1ccnc(N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000440633439 560015216 /nfs/dbraw/zinc/01/52/16/560015216.db2.gz GOFWRDOPLHHJLH-KRWDZBQOSA-N 1 2 350.419 2.198 20 5 FEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000445849648 560135530 /nfs/dbraw/zinc/13/55/30/560135530.db2.gz PRLAXNICWRXZSF-SNVBAGLBSA-N 1 2 367.203 2.301 20 5 FEBDLO COc1cccc(C2([NH2+]Cc3c([N+](=O)[O-])ncn3C)CCOCC2)c1F ZINC000447363604 560161005 /nfs/dbraw/zinc/16/10/05/560161005.db2.gz ARLCMPAXZBNOKP-UHFFFAOYSA-N 1 2 364.377 2.272 20 5 FEBDLO CCOC(=O)C[N@@H+]1CCCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450300688 560257738 /nfs/dbraw/zinc/25/77/38/560257738.db2.gz HDENYYOZUDRRHT-UHFFFAOYSA-N 1 2 358.398 2.218 20 5 FEBDLO CCOC(=O)C[N@H+]1CCCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450300688 560257739 /nfs/dbraw/zinc/25/77/39/560257739.db2.gz HDENYYOZUDRRHT-UHFFFAOYSA-N 1 2 358.398 2.218 20 5 FEBDLO CNc1nc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH+]c2ccccc21 ZINC000450410462 560261392 /nfs/dbraw/zinc/26/13/92/560261392.db2.gz VSZHTSMMDPXHGP-LBPRGKRZSA-N 1 2 365.397 2.666 20 5 FEBDLO CC(C)OC(=O)CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450635517 560268759 /nfs/dbraw/zinc/26/87/59/560268759.db2.gz KIFKNFPLUAFFJE-UHFFFAOYSA-N 1 2 360.370 2.242 20 5 FEBDLO COC[C@]1(CO)CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000450893089 560277012 /nfs/dbraw/zinc/27/70/12/560277012.db2.gz GNZWAODBPWLUJK-GOSISDBHSA-N 1 2 358.398 2.195 20 5 FEBDLO CCO[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000451548310 560313925 /nfs/dbraw/zinc/31/39/25/560313925.db2.gz VCYLTWQPARKFHN-CZUORRHYSA-N 1 2 356.444 2.115 20 5 FEBDLO CCO[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000451548310 560313926 /nfs/dbraw/zinc/31/39/26/560313926.db2.gz VCYLTWQPARKFHN-CZUORRHYSA-N 1 2 356.444 2.115 20 5 FEBDLO CO[C@H]1C[C@H]([N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000451861431 560333078 /nfs/dbraw/zinc/33/30/78/560333078.db2.gz XMGZVTCQAQKSBI-HOTGVXAUSA-N 1 2 368.455 2.258 20 5 FEBDLO CO[C@H]1C[C@H]([N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000451861431 560333079 /nfs/dbraw/zinc/33/30/79/560333079.db2.gz XMGZVTCQAQKSBI-HOTGVXAUSA-N 1 2 368.455 2.258 20 5 FEBDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000451923719 560337719 /nfs/dbraw/zinc/33/77/19/560337719.db2.gz AWDMUWZTVPRSHI-LBPRGKRZSA-N 1 2 352.416 2.034 20 5 FEBDLO COc1cc(S(=O)(=O)NCc2c[nH+]c(C)cc2C)ccc1[N+](=O)[O-] ZINC000452039478 560347191 /nfs/dbraw/zinc/34/71/91/560347191.db2.gz GTQHGEVAAPGDOL-UHFFFAOYSA-N 1 2 351.384 2.094 20 5 FEBDLO CO[C@@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C12CCC2 ZINC000458222411 560609707 /nfs/dbraw/zinc/60/97/07/560609707.db2.gz LHBFWELTCHYVMH-JKSUJKDBSA-N 1 2 356.382 2.468 20 5 FEBDLO COc1cc(Cn2c3ccccc3[nH+]c2NC[C@H](C)O)c([N+](=O)[O-])cc1F ZINC000463444544 560814989 /nfs/dbraw/zinc/81/49/89/560814989.db2.gz NGQFQVRYGACFGM-NSHDSACASA-N 1 2 374.372 2.933 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)CCC2 ZINC000468698847 560936452 /nfs/dbraw/zinc/93/64/52/560936452.db2.gz CHCMKPGOWYMXCY-LBPRGKRZSA-N 1 2 364.427 2.493 20 5 FEBDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000470144135 560975327 /nfs/dbraw/zinc/97/53/27/560975327.db2.gz MRCOUSKBDOLFGQ-MRXNPFEDSA-N 1 2 366.393 2.308 20 5 FEBDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000470144135 560975328 /nfs/dbraw/zinc/97/53/28/560975328.db2.gz MRCOUSKBDOLFGQ-MRXNPFEDSA-N 1 2 366.393 2.308 20 5 FEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000470170122 560976063 /nfs/dbraw/zinc/97/60/63/560976063.db2.gz OXHHDSWQNCPJHY-GHRIWEEISA-N 1 2 372.469 2.238 20 5 FEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000470170122 560976064 /nfs/dbraw/zinc/97/60/64/560976064.db2.gz OXHHDSWQNCPJHY-GHRIWEEISA-N 1 2 372.469 2.238 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000473916540 561060603 /nfs/dbraw/zinc/06/06/03/561060603.db2.gz SEZUMUNQEPUNIA-UHFFFAOYSA-N 1 2 368.242 2.276 20 5 FEBDLO C[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000473914863 561060651 /nfs/dbraw/zinc/06/06/51/561060651.db2.gz XVKOSMUWXKGMSL-VIFPVBQESA-N 1 2 368.242 2.274 20 5 FEBDLO C[N@H+]1CCC[C@H]1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000473914863 561060652 /nfs/dbraw/zinc/06/06/52/561060652.db2.gz XVKOSMUWXKGMSL-VIFPVBQESA-N 1 2 368.242 2.274 20 5 FEBDLO COC(=O)COc1ccc(CN2CCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000475110092 561090737 /nfs/dbraw/zinc/09/07/37/561090737.db2.gz NGFJFUCXJLBTRM-ZDUSSCGKSA-N 1 2 360.370 2.207 20 5 FEBDLO COC(=O)COc1ccc(C[N@@H+]2CCc3ncsc3C2)cc1[N+](=O)[O-] ZINC000475133065 561091159 /nfs/dbraw/zinc/09/11/59/561091159.db2.gz YCYQVMUXPHPKLF-UHFFFAOYSA-N 1 2 363.395 2.161 20 5 FEBDLO COC(=O)COc1ccc(C[N@H+]2CCc3ncsc3C2)cc1[N+](=O)[O-] ZINC000475133065 561091160 /nfs/dbraw/zinc/09/11/60/561091160.db2.gz YCYQVMUXPHPKLF-UHFFFAOYSA-N 1 2 363.395 2.161 20 5 FEBDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475581006 561100248 /nfs/dbraw/zinc/10/02/48/561100248.db2.gz MWXSVJCVTGOXGC-JSGCOSHPSA-N 1 2 352.387 2.146 20 5 FEBDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475581006 561100249 /nfs/dbraw/zinc/10/02/49/561100249.db2.gz MWXSVJCVTGOXGC-JSGCOSHPSA-N 1 2 352.387 2.146 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000532922055 562492621 /nfs/dbraw/zinc/49/26/21/562492621.db2.gz IGCRMIICVUHMPO-UHFFFAOYSA-N 1 2 362.430 2.078 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000532961677 562493979 /nfs/dbraw/zinc/49/39/79/562493979.db2.gz UIOLNSOVGQIHKV-GXTWGEPZSA-N 1 2 361.320 2.229 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000532961677 562493980 /nfs/dbraw/zinc/49/39/80/562493980.db2.gz UIOLNSOVGQIHKV-GXTWGEPZSA-N 1 2 361.320 2.229 20 5 FEBDLO Cc1cc[nH+]cc1N1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000534094636 562525213 /nfs/dbraw/zinc/52/52/13/562525213.db2.gz SDSISRQAQAPLIP-OAHLLOKOSA-N 1 2 369.425 2.447 20 5 FEBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000534515152 562535558 /nfs/dbraw/zinc/53/55/58/562535558.db2.gz RKKTXGHPWAFHIB-QZTJIDSGSA-N 1 2 359.426 2.123 20 5 FEBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000534515152 562535559 /nfs/dbraw/zinc/53/55/59/562535559.db2.gz RKKTXGHPWAFHIB-QZTJIDSGSA-N 1 2 359.426 2.123 20 5 FEBDLO O=C1NCCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1Cc1ccccc1 ZINC000549831519 562640486 /nfs/dbraw/zinc/64/04/86/562640486.db2.gz YUELJNOQEMKWDG-GOSISDBHSA-N 1 2 355.394 2.234 20 5 FEBDLO O=C1NCCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1Cc1ccccc1 ZINC000549831519 562640487 /nfs/dbraw/zinc/64/04/87/562640487.db2.gz YUELJNOQEMKWDG-GOSISDBHSA-N 1 2 355.394 2.234 20 5 FEBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000568811652 568229510 /nfs/dbraw/zinc/22/95/10/568229510.db2.gz MDPMFRVCMSJLEW-LBPRGKRZSA-N 1 2 373.388 2.111 20 5 FEBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1F)C2 ZINC000826500083 607943292 /nfs/dbraw/zinc/94/32/92/607943292.db2.gz KPCZDFCTYPPKIZ-UHFFFAOYSA-N 1 2 354.345 2.472 20 5 FEBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1ccc(-c3nn[nH]n3)cc1F)C2 ZINC000826500083 607943293 /nfs/dbraw/zinc/94/32/93/607943293.db2.gz KPCZDFCTYPPKIZ-UHFFFAOYSA-N 1 2 354.345 2.472 20 5 FEBDLO C[N@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000026924374 670075332 /nfs/dbraw/zinc/07/53/32/670075332.db2.gz WZHFUIFDDUVSSW-UHFFFAOYSA-N 1 2 354.794 2.010 20 5 FEBDLO C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000026924374 670075336 /nfs/dbraw/zinc/07/53/36/670075336.db2.gz WZHFUIFDDUVSSW-UHFFFAOYSA-N 1 2 354.794 2.010 20 5 FEBDLO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cs1 ZINC000119341684 671897165 /nfs/dbraw/zinc/89/71/65/671897165.db2.gz IZNFPOPWEOJUJA-LBPRGKRZSA-N 1 2 371.440 2.365 20 5 FEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159064500 672276810 /nfs/dbraw/zinc/27/68/10/672276810.db2.gz IKYLLIYNLMQBKI-VIFPVBQESA-N 1 2 353.176 2.372 20 5 FEBDLO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000170953021 672327635 /nfs/dbraw/zinc/32/76/35/672327635.db2.gz UPUMYLTWIVULOY-LBPRGKRZSA-N 1 2 353.423 2.374 20 5 FEBDLO CC(C)(C)OC(=O)NCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000172070371 672339016 /nfs/dbraw/zinc/33/90/16/672339016.db2.gz UCCWDJVUZUIWJG-UHFFFAOYSA-N 1 2 350.419 2.242 20 5 FEBDLO C[C@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H]1O ZINC000589258073 672517695 /nfs/dbraw/zinc/51/76/95/672517695.db2.gz WCYIUJSVBPLYRJ-QPUJVOFHSA-N 1 2 362.167 2.012 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H]1O ZINC000589258073 672517699 /nfs/dbraw/zinc/51/76/99/672517699.db2.gz WCYIUJSVBPLYRJ-QPUJVOFHSA-N 1 2 362.167 2.012 20 5 FEBDLO CSC[C@H](CCO)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000611560956 676044336 /nfs/dbraw/zinc/04/43/36/676044336.db2.gz UYRXYXQALMDHDW-DZGCQCFKSA-N 1 2 350.444 2.121 20 5 FEBDLO CSC[C@H](CCO)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000611560933 676044392 /nfs/dbraw/zinc/04/43/92/676044392.db2.gz OJRBEKXCNMAISD-ZFWWWQNUSA-N 1 2 350.444 2.121 20 5 FEBDLO CCc1ccc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000592028384 672736280 /nfs/dbraw/zinc/73/62/80/672736280.db2.gz LZMXOZNPCFSKNQ-CQSZACIVSA-N 1 2 364.427 2.380 20 5 FEBDLO CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000594475770 673081711 /nfs/dbraw/zinc/08/17/11/673081711.db2.gz STXMNSMIKRBBLZ-UHFFFAOYSA-N 1 2 359.423 2.229 20 5 FEBDLO Cc1nn(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000725787680 673090943 /nfs/dbraw/zinc/09/09/43/673090943.db2.gz WNCMVVWZIIGGJY-GFCCVEGCSA-N 1 2 351.451 2.238 20 5 FEBDLO Cc1nn(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000725787686 673091248 /nfs/dbraw/zinc/09/12/48/673091248.db2.gz WNCMVVWZIIGGJY-LBPRGKRZSA-N 1 2 351.451 2.238 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594603379 673105417 /nfs/dbraw/zinc/10/54/17/673105417.db2.gz UTIALVWJDNLLLN-DZGCQCFKSA-N 1 2 353.444 2.427 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594603379 673105420 /nfs/dbraw/zinc/10/54/20/673105420.db2.gz UTIALVWJDNLLLN-DZGCQCFKSA-N 1 2 353.444 2.427 20 5 FEBDLO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595291763 673217362 /nfs/dbraw/zinc/21/73/62/673217362.db2.gz TXXMTHMBAMYTOB-UHFFFAOYSA-N 1 2 359.423 2.028 20 5 FEBDLO CO[C@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C1CCC1 ZINC000595294789 673218115 /nfs/dbraw/zinc/21/81/15/673218115.db2.gz FYXXDERXTLEURV-CYBMUJFWSA-N 1 2 353.444 2.229 20 5 FEBDLO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cscn1 ZINC000595669682 673281406 /nfs/dbraw/zinc/28/14/06/673281406.db2.gz YQNKEYKTKCJHIM-QMMMGPOBSA-N 1 2 350.356 2.069 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000595781047 673324571 /nfs/dbraw/zinc/32/45/71/673324571.db2.gz PUOOTMPCHDMMRB-AGIUHOORSA-N 1 2 351.403 2.430 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000595781047 673324575 /nfs/dbraw/zinc/32/45/75/673324575.db2.gz PUOOTMPCHDMMRB-AGIUHOORSA-N 1 2 351.403 2.430 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)c2ccc[nH+]c2N(C)C)c1 ZINC000542713840 673599194 /nfs/dbraw/zinc/59/91/94/673599194.db2.gz LNQVPTRMRYBCAG-UHFFFAOYSA-N 1 2 364.427 2.498 20 5 FEBDLO CCS(=O)(=O)N(Cc1ccc[nH+]c1N)c1ccc([N+](=O)[O-])cc1C ZINC000598729384 673603969 /nfs/dbraw/zinc/60/39/69/673603969.db2.gz RDQSYPHJHQBWIW-UHFFFAOYSA-N 1 2 350.400 2.237 20 5 FEBDLO COc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c([N+](=O)[O-])cc1OC ZINC000600206860 673749036 /nfs/dbraw/zinc/74/90/36/673749036.db2.gz FIAIUQLLLWOORK-VXMWWYGOSA-N 1 2 354.428 2.097 20 5 FEBDLO COc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c([N+](=O)[O-])cc1OC ZINC000600206860 673749037 /nfs/dbraw/zinc/74/90/37/673749037.db2.gz FIAIUQLLLWOORK-VXMWWYGOSA-N 1 2 354.428 2.097 20 5 FEBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000745080830 673824226 /nfs/dbraw/zinc/82/42/26/673824226.db2.gz VNODTOMOVPHYIB-CYBMUJFWSA-N 1 2 355.778 2.214 20 5 FEBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000745080830 673824227 /nfs/dbraw/zinc/82/42/27/673824227.db2.gz VNODTOMOVPHYIB-CYBMUJFWSA-N 1 2 355.778 2.214 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987726 673914734 /nfs/dbraw/zinc/91/47/34/673914734.db2.gz PKZOJFXAWFDHSL-OUJBWJOFSA-N 1 2 361.320 2.024 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987726 673914736 /nfs/dbraw/zinc/91/47/36/673914736.db2.gz PKZOJFXAWFDHSL-OUJBWJOFSA-N 1 2 361.320 2.024 20 5 FEBDLO COc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000548695610 673987849 /nfs/dbraw/zinc/98/78/49/673987849.db2.gz ZNOMXHWBCJFAOH-UHFFFAOYSA-N 1 2 365.411 2.466 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000821020431 675407549 /nfs/dbraw/zinc/40/75/49/675407549.db2.gz FHUNTIRLENHKSJ-CQSZACIVSA-N 1 2 365.455 2.254 20 5 FEBDLO C[C@H]1C[N@H+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H](C)CO1 ZINC000823252655 675539532 /nfs/dbraw/zinc/53/95/32/675539532.db2.gz DYUSKTZGXITKIL-QWRGUYRKSA-N 1 2 356.810 2.479 20 5 FEBDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H](C)CO1 ZINC000823252655 675539534 /nfs/dbraw/zinc/53/95/34/675539534.db2.gz DYUSKTZGXITKIL-QWRGUYRKSA-N 1 2 356.810 2.479 20 5 FEBDLO Cc1cc(Cl)c(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000826882845 675713055 /nfs/dbraw/zinc/71/30/55/675713055.db2.gz OQKVJVZOJDQQCM-GFCCVEGCSA-N 1 2 353.806 2.103 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000618398308 676338730 /nfs/dbraw/zinc/33/87/30/676338730.db2.gz WFJSKRGHRPPSKD-CQSZACIVSA-N 1 2 367.833 2.493 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCS(=O)(=O)C3CC3)cs2)c1 ZINC000840964800 680857574 /nfs/dbraw/zinc/85/75/74/680857574.db2.gz QYUSCSPZUFJZRW-UHFFFAOYSA-N 1 2 367.452 2.385 20 5 FEBDLO O=C(NCC1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001400486 680460593 /nfs/dbraw/zinc/46/05/93/680460593.db2.gz RNKNGZGRAXNFLU-CZUORRHYSA-N 1 2 369.824 2.473 20 5 FEBDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C2(CCCCC2)C1 ZINC000756179250 680464753 /nfs/dbraw/zinc/46/47/53/680464753.db2.gz BUWPOQGVUNGFKV-UHFFFAOYSA-N 1 2 359.473 2.295 20 5 FEBDLO C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C2(CCCCC2)C1 ZINC000756179250 680464754 /nfs/dbraw/zinc/46/47/54/680464754.db2.gz BUWPOQGVUNGFKV-UHFFFAOYSA-N 1 2 359.473 2.295 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000768562079 680950564 /nfs/dbraw/zinc/95/05/64/680950564.db2.gz MTTCJRRQUHEAHO-QWRGUYRKSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000768562079 680950566 /nfs/dbraw/zinc/95/05/66/680950566.db2.gz MTTCJRRQUHEAHO-QWRGUYRKSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000768562563 680950587 /nfs/dbraw/zinc/95/05/87/680950587.db2.gz OOADVSNNZLHCSA-QWRGUYRKSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000768562563 680950588 /nfs/dbraw/zinc/95/05/88/680950588.db2.gz OOADVSNNZLHCSA-QWRGUYRKSA-N 1 2 361.851 2.270 20 5 FEBDLO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000770021166 681003174 /nfs/dbraw/zinc/00/31/74/681003174.db2.gz SWDYKOLZNZGDKR-GHMZBOCLSA-N 1 2 356.810 2.479 20 5 FEBDLO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000772319942 681092717 /nfs/dbraw/zinc/09/27/17/681092717.db2.gz DAARCZVJBLWQFV-STQMWFEESA-N 1 2 353.423 2.121 20 5 FEBDLO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000772319942 681092719 /nfs/dbraw/zinc/09/27/19/681092719.db2.gz DAARCZVJBLWQFV-STQMWFEESA-N 1 2 353.423 2.121 20 5 FEBDLO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000845734275 681149430 /nfs/dbraw/zinc/14/94/30/681149430.db2.gz GNRWQTYKOLPNCF-LBPRGKRZSA-N 1 2 370.427 2.028 20 5 FEBDLO CC(C)(C)[N@H+]1CC[C@H]1COC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000845734275 681149432 /nfs/dbraw/zinc/14/94/32/681149432.db2.gz GNRWQTYKOLPNCF-LBPRGKRZSA-N 1 2 370.427 2.028 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000779921481 681771688 /nfs/dbraw/zinc/77/16/88/681771688.db2.gz TUFNIPINWYFGCE-MNOVXSKESA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000779921481 681771694 /nfs/dbraw/zinc/77/16/94/681771694.db2.gz TUFNIPINWYFGCE-MNOVXSKESA-N 1 2 361.851 2.270 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000935712353 681806480 /nfs/dbraw/zinc/80/64/80/681806480.db2.gz CJYKJKMRTPIHRI-CYBMUJFWSA-N 1 2 369.849 2.360 20 5 FEBDLO COC(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000852570550 682301547 /nfs/dbraw/zinc/30/15/47/682301547.db2.gz OIQAORVVGMAZDS-SNVBAGLBSA-N 1 2 372.809 2.205 20 5 FEBDLO COC(=O)N(C)CC[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000852570550 682301551 /nfs/dbraw/zinc/30/15/51/682301551.db2.gz OIQAORVVGMAZDS-SNVBAGLBSA-N 1 2 372.809 2.205 20 5 FEBDLO C[S@@](=O)CC[NH+]1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000853368448 682409374 /nfs/dbraw/zinc/40/93/74/682409374.db2.gz JSOSWCNTONQBBO-XMMPIXPASA-N 1 2 365.377 2.114 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)[C@H]1C ZINC000787237007 682444114 /nfs/dbraw/zinc/44/41/14/682444114.db2.gz FAEJLGIXVCQICD-JOYOIKCWSA-N 1 2 352.778 2.439 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)[C@H]1C ZINC000787237007 682444116 /nfs/dbraw/zinc/44/41/16/682444116.db2.gz FAEJLGIXVCQICD-JOYOIKCWSA-N 1 2 352.778 2.439 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790745886 682698887 /nfs/dbraw/zinc/69/88/87/682698887.db2.gz LOEKEJVCAPOMAK-JTQLQIEISA-N 1 2 360.769 2.194 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cn3nccc3[N+](=O)[O-])CC[C@H]21 ZINC000793704883 682905447 /nfs/dbraw/zinc/90/54/47/682905447.db2.gz JVEKUGAKQLFNKB-CHWSQXEVSA-N 1 2 351.407 2.080 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cn3nccc3[N+](=O)[O-])CC[C@H]21 ZINC000793704883 682905451 /nfs/dbraw/zinc/90/54/51/682905451.db2.gz JVEKUGAKQLFNKB-CHWSQXEVSA-N 1 2 351.407 2.080 20 5 FEBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857983674 682929808 /nfs/dbraw/zinc/92/98/08/682929808.db2.gz BTLRPWDPYJJAKL-KOLCDFICSA-N 1 2 350.762 2.473 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000795128402 683021204 /nfs/dbraw/zinc/02/12/04/683021204.db2.gz DVSNJDOLVXZIHA-SWLSCSKDSA-N 1 2 350.444 2.087 20 5 FEBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798175988 683318268 /nfs/dbraw/zinc/31/82/68/683318268.db2.gz VTDUCKHRPNRCRV-UHFFFAOYSA-N 1 2 368.191 2.111 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000929648006 683622709 /nfs/dbraw/zinc/62/27/09/683622709.db2.gz YOAKCQYNALJBRQ-OAHLLOKOSA-N 1 2 367.471 2.403 20 5 FEBDLO COCCC[N@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)[C@H]1CCS(=O)(=O)C1 ZINC000876549104 686217007 /nfs/dbraw/zinc/21/70/07/686217007.db2.gz GGPCJQRANVRWAJ-HNNXBMFYSA-N 1 2 370.471 2.237 20 5 FEBDLO COCCC[N@@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)[C@H]1CCS(=O)(=O)C1 ZINC000876549104 686217009 /nfs/dbraw/zinc/21/70/09/686217009.db2.gz GGPCJQRANVRWAJ-HNNXBMFYSA-N 1 2 370.471 2.237 20 5 FEBDLO C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H](C(F)(F)F)O1 ZINC000880060829 686990184 /nfs/dbraw/zinc/99/01/84/686990184.db2.gz YSPRPWGRCLMFML-TVQRCGJNSA-N 1 2 361.320 2.235 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H](C(F)(F)F)O1 ZINC000880060829 686990187 /nfs/dbraw/zinc/99/01/87/686990187.db2.gz YSPRPWGRCLMFML-TVQRCGJNSA-N 1 2 361.320 2.235 20 5 FEBDLO Cn1c[nH+]cc1CCC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000881865096 687238304 /nfs/dbraw/zinc/23/83/04/687238304.db2.gz LZOCGKWJBPBDFS-UHFFFAOYSA-N 1 2 367.203 2.340 20 5 FEBDLO COc1c(O)ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000894124725 689471402 /nfs/dbraw/zinc/47/14/02/689471402.db2.gz OSGNFLZIQQCJJS-JKDFXYPNSA-N 1 2 352.387 2.077 20 5 FEBDLO COc1c(O)ccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000894124725 689471406 /nfs/dbraw/zinc/47/14/06/689471406.db2.gz OSGNFLZIQQCJJS-JKDFXYPNSA-N 1 2 352.387 2.077 20 5 FEBDLO COc1cc(NCC[N@@H+]2CCC3(C2)OCCO3)c(Cl)cc1[N+](=O)[O-] ZINC000895252223 689685276 /nfs/dbraw/zinc/68/52/76/689685276.db2.gz AIRKGVHYCPGFGD-UHFFFAOYSA-N 1 2 357.794 2.118 20 5 FEBDLO COc1cc(NCC[N@H+]2CCC3(C2)OCCO3)c(Cl)cc1[N+](=O)[O-] ZINC000895252223 689685278 /nfs/dbraw/zinc/68/52/78/689685278.db2.gz AIRKGVHYCPGFGD-UHFFFAOYSA-N 1 2 357.794 2.118 20 5 FEBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000902650305 690793271 /nfs/dbraw/zinc/79/32/71/690793271.db2.gz ZMYMOAOBCHCNSI-LLVKDONJSA-N 1 2 360.395 2.481 20 5 FEBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000902650305 690793274 /nfs/dbraw/zinc/79/32/74/690793274.db2.gz ZMYMOAOBCHCNSI-LLVKDONJSA-N 1 2 360.395 2.481 20 5 FEBDLO CC(C)[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000025552641 539763039 /nfs/dbraw/zinc/76/30/39/539763039.db2.gz UDEOOPCRTISECA-MRXNPFEDSA-N 1 2 367.471 2.160 20 5 FEBDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000031305220 539904365 /nfs/dbraw/zinc/90/43/65/539904365.db2.gz XJKKPCBMMSIPTE-NSHDSACASA-N 1 2 352.822 2.037 20 5 FEBDLO COc1ccc(NC(=O)CCSc2nc(N)cc(C)[nH+]2)c([N+](=O)[O-])c1 ZINC000031745933 539917951 /nfs/dbraw/zinc/91/79/51/539917951.db2.gz PSRUZUDJNBEWNZ-UHFFFAOYSA-N 1 2 363.399 2.405 20 5 FEBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000033237801 539972334 /nfs/dbraw/zinc/97/23/34/539972334.db2.gz SLMHCBHOUCJDGY-UHFFFAOYSA-N 1 2 369.425 2.014 20 5 FEBDLO C[C@H]1CCCN(c2ccc(C(=O)NCCn3cc[nH+]c3)cc2[N+](=O)[O-])C1 ZINC000043947797 540115835 /nfs/dbraw/zinc/11/58/35/540115835.db2.gz YXTRLARQUNPGSL-AWEZNQCLSA-N 1 2 357.414 2.458 20 5 FEBDLO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000045262843 540208080 /nfs/dbraw/zinc/20/80/80/540208080.db2.gz BIEOTVURFDSOGS-CQSZACIVSA-N 1 2 365.393 2.475 20 5 FEBDLO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000045262843 540208081 /nfs/dbraw/zinc/20/80/81/540208081.db2.gz BIEOTVURFDSOGS-CQSZACIVSA-N 1 2 365.393 2.475 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000046034299 540238582 /nfs/dbraw/zinc/23/85/82/540238582.db2.gz OZEOGWDXPBPIMZ-UHFFFAOYSA-N 1 2 353.444 2.152 20 5 FEBDLO CNC(=O)c1ccc(NC2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000053562380 540543353 /nfs/dbraw/zinc/54/33/53/540543353.db2.gz CSZXIJRYEYWNLS-UHFFFAOYSA-N 1 2 355.398 2.430 20 5 FEBDLO O=C(C[NH+]1CCC(C(=O)N2CCCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000057901962 540822698 /nfs/dbraw/zinc/82/26/98/540822698.db2.gz GAPPEWOAALQNSH-UHFFFAOYSA-N 1 2 374.441 2.258 20 5 FEBDLO CCN(CC)C(=O)C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000058956331 540861261 /nfs/dbraw/zinc/86/12/61/540861261.db2.gz SBOJLAJAOCYLGR-UHFFFAOYSA-N 1 2 362.430 2.114 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc(N(C)C)[nH+]c2)cc1C ZINC000060499325 541114573 /nfs/dbraw/zinc/11/45/73/541114573.db2.gz NSNAVQLSHPIJEO-UHFFFAOYSA-N 1 2 364.427 2.151 20 5 FEBDLO Cc1noc([C@H]2CCC[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)n1 ZINC000064638476 541214062 /nfs/dbraw/zinc/21/40/62/541214062.db2.gz AKGTUBBVIIGMSX-AWEZNQCLSA-N 1 2 371.397 2.055 20 5 FEBDLO Cc1noc([C@H]2CCC[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)n1 ZINC000064638476 541214064 /nfs/dbraw/zinc/21/40/64/541214064.db2.gz AKGTUBBVIIGMSX-AWEZNQCLSA-N 1 2 371.397 2.055 20 5 FEBDLO COc1cc(C(=O)NCC[NH+]2Cc3ccccc3C2)c([N+](=O)[O-])cc1OC ZINC000068254248 541568500 /nfs/dbraw/zinc/56/85/00/541568500.db2.gz YJVMSSPCLYLRPU-UHFFFAOYSA-N 1 2 371.393 2.358 20 5 FEBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000070748907 541740169 /nfs/dbraw/zinc/74/01/69/541740169.db2.gz LBORZRNJPDTMAV-MRXNPFEDSA-N 1 2 374.441 2.106 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000072631106 541841289 /nfs/dbraw/zinc/84/12/89/541841289.db2.gz QWTNNSRZWRULDQ-MRXNPFEDSA-N 1 2 374.441 2.319 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000072631106 541841292 /nfs/dbraw/zinc/84/12/92/541841292.db2.gz QWTNNSRZWRULDQ-MRXNPFEDSA-N 1 2 374.441 2.319 20 5 FEBDLO CCc1nsc(N2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000093871444 542943442 /nfs/dbraw/zinc/94/34/42/542943442.db2.gz LYONMQJYCRNXEX-UHFFFAOYSA-N 1 2 363.443 2.427 20 5 FEBDLO CCc1nsc(N2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000093871444 542943444 /nfs/dbraw/zinc/94/34/44/542943444.db2.gz LYONMQJYCRNXEX-UHFFFAOYSA-N 1 2 363.443 2.427 20 5 FEBDLO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cnn(C)c1 ZINC000103474685 543109594 /nfs/dbraw/zinc/10/95/94/543109594.db2.gz GWQPIHPPEIQAAP-UHFFFAOYSA-N 1 2 351.794 2.442 20 5 FEBDLO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cnn(C)c1 ZINC000103474685 543109597 /nfs/dbraw/zinc/10/95/97/543109597.db2.gz GWQPIHPPEIQAAP-UHFFFAOYSA-N 1 2 351.794 2.442 20 5 FEBDLO COc1ccc(CSCC(=O)O[C@@H]2CC[N@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000802242054 674172955 /nfs/dbraw/zinc/17/29/55/674172955.db2.gz WBLULYANMAHCSE-CYBMUJFWSA-N 1 2 372.418 2.424 20 5 FEBDLO COc1ccc(CSCC(=O)O[C@@H]2CC[N@@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000802242054 674172957 /nfs/dbraw/zinc/17/29/57/674172957.db2.gz WBLULYANMAHCSE-CYBMUJFWSA-N 1 2 372.418 2.424 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(C2OCCO2)CC1 ZINC000110411775 543357471 /nfs/dbraw/zinc/35/74/71/543357471.db2.gz OEEWZEFJXQAIHW-UHFFFAOYSA-N 1 2 372.381 2.006 20 5 FEBDLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000111294993 543393865 /nfs/dbraw/zinc/39/38/65/543393865.db2.gz OMTKGCGKKDLOLS-HNNXBMFYSA-N 1 2 361.398 2.048 20 5 FEBDLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000111294993 543393868 /nfs/dbraw/zinc/39/38/68/543393868.db2.gz OMTKGCGKKDLOLS-HNNXBMFYSA-N 1 2 361.398 2.048 20 5 FEBDLO CC(C)NC(=O)C[NH+]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000127874662 544018967 /nfs/dbraw/zinc/01/89/67/544018967.db2.gz USURGYUNWSMIER-UHFFFAOYSA-N 1 2 362.474 2.360 20 5 FEBDLO CC(C)NC(=O)CN1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000127874662 544018968 /nfs/dbraw/zinc/01/89/68/544018968.db2.gz USURGYUNWSMIER-UHFFFAOYSA-N 1 2 362.474 2.360 20 5 FEBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000130202371 544142644 /nfs/dbraw/zinc/14/26/44/544142644.db2.gz XUUPHWRFXZRRRX-ZDUSSCGKSA-N 1 2 363.443 2.148 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCS[C@@H]4COCC[C@@H]43)n2)c1 ZINC000135527163 544350918 /nfs/dbraw/zinc/35/09/18/544350918.db2.gz ZVMUYADJBYYWML-UONOGXRCSA-N 1 2 362.411 2.351 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCS[C@@H]4COCC[C@@H]43)n2)c1 ZINC000135527163 544350919 /nfs/dbraw/zinc/35/09/19/544350919.db2.gz ZVMUYADJBYYWML-UONOGXRCSA-N 1 2 362.411 2.351 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCOC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000135630836 544356815 /nfs/dbraw/zinc/35/68/15/544356815.db2.gz MOYQDEHWAFKZFD-CQSZACIVSA-N 1 2 363.414 2.112 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCOC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000135630836 544356817 /nfs/dbraw/zinc/35/68/17/544356817.db2.gz MOYQDEHWAFKZFD-CQSZACIVSA-N 1 2 363.414 2.112 20 5 FEBDLO O=C(c1ccccc1)N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136812389 544379667 /nfs/dbraw/zinc/37/96/67/544379667.db2.gz NPFBAQOEPHZQBT-SFHVURJKSA-N 1 2 355.394 2.086 20 5 FEBDLO Cc1c(NC(=O)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000151435651 544540943 /nfs/dbraw/zinc/54/09/43/544540943.db2.gz GJBSZXIGKGQVRU-LRDDRELGSA-N 1 2 371.397 2.148 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000151153587 544510922 /nfs/dbraw/zinc/51/09/22/544510922.db2.gz KZNHRLULBXDSNL-AWEZNQCLSA-N 1 2 363.395 2.140 20 5 FEBDLO Cn1ncc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C(F)(F)F ZINC000151566645 544557442 /nfs/dbraw/zinc/55/74/42/544557442.db2.gz DYOSXMAXULMOTA-LLVKDONJSA-N 1 2 370.335 2.429 20 5 FEBDLO Cn1ncc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C(F)(F)F ZINC000151566645 544557444 /nfs/dbraw/zinc/55/74/44/544557444.db2.gz DYOSXMAXULMOTA-LLVKDONJSA-N 1 2 370.335 2.429 20 5 FEBDLO COc1cc(CN2CC[NH+](Cc3cc(C)no3)CC2)c([N+](=O)[O-])cc1F ZINC000184223166 327857054 /nfs/dbraw/zinc/85/70/54/327857054.db2.gz UPNOTNMXOOZXSA-UHFFFAOYSA-N 1 2 364.377 2.357 20 5 FEBDLO C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000185958396 327940784 /nfs/dbraw/zinc/94/07/84/327940784.db2.gz DSEUSTJBVRNLPQ-DOMZBBRYSA-N 1 2 350.400 2.063 20 5 FEBDLO CSc1cccc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000188139058 328068888 /nfs/dbraw/zinc/06/88/88/328068888.db2.gz LNXZTVJOVNBKKW-VXGBXAGGSA-N 1 2 353.444 2.156 20 5 FEBDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000188788826 328110896 /nfs/dbraw/zinc/11/08/96/328110896.db2.gz GFPARPPYWSLYQV-DOTOQJQBSA-N 1 2 360.366 2.353 20 5 FEBDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000188788826 328110897 /nfs/dbraw/zinc/11/08/97/328110897.db2.gz GFPARPPYWSLYQV-DOTOQJQBSA-N 1 2 360.366 2.353 20 5 FEBDLO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H](O)C(F)(F)F ZINC000189494260 328151610 /nfs/dbraw/zinc/15/16/10/328151610.db2.gz SSUPYAAZOPVNDP-LLVKDONJSA-N 1 2 360.292 2.390 20 5 FEBDLO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H](O)C(F)(F)F ZINC000189494260 328151611 /nfs/dbraw/zinc/15/16/11/328151611.db2.gz SSUPYAAZOPVNDP-LLVKDONJSA-N 1 2 360.292 2.390 20 5 FEBDLO COc1cc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)cc([N+](=O)[O-])c1C ZINC000191743714 328279678 /nfs/dbraw/zinc/27/96/78/328279678.db2.gz NGGJFWUAOLNAFP-UHFFFAOYSA-N 1 2 370.409 2.265 20 5 FEBDLO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192635682 328330156 /nfs/dbraw/zinc/33/01/56/328330156.db2.gz XGSJJCAPSRMYNR-ZFWWWQNUSA-N 1 2 362.430 2.431 20 5 FEBDLO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192635682 328330157 /nfs/dbraw/zinc/33/01/57/328330157.db2.gz XGSJJCAPSRMYNR-ZFWWWQNUSA-N 1 2 362.430 2.431 20 5 FEBDLO C[C@@H](C(=O)NCc1cccs1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744166 324642938 /nfs/dbraw/zinc/64/29/38/324642938.db2.gz MTDGTTDFDFFNIR-AWEZNQCLSA-N 1 2 374.466 2.483 20 5 FEBDLO COCCCOCC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000091101869 325374803 /nfs/dbraw/zinc/37/48/03/325374803.db2.gz RZGPTMHSPYQDIX-UHFFFAOYSA-N 1 2 359.810 2.172 20 5 FEBDLO COCCCOCC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000091101869 325374805 /nfs/dbraw/zinc/37/48/05/325374805.db2.gz RZGPTMHSPYQDIX-UHFFFAOYSA-N 1 2 359.810 2.172 20 5 FEBDLO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000119262894 326142791 /nfs/dbraw/zinc/14/27/91/326142791.db2.gz DGKUMOZYHDCORZ-UHFFFAOYSA-N 1 2 369.381 2.473 20 5 FEBDLO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000119262894 326142793 /nfs/dbraw/zinc/14/27/93/326142793.db2.gz DGKUMOZYHDCORZ-UHFFFAOYSA-N 1 2 369.381 2.473 20 5 FEBDLO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000119262894 326142796 /nfs/dbraw/zinc/14/27/96/326142796.db2.gz DGKUMOZYHDCORZ-UHFFFAOYSA-N 1 2 369.381 2.473 20 5 FEBDLO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000119262894 326142798 /nfs/dbraw/zinc/14/27/98/326142798.db2.gz DGKUMOZYHDCORZ-UHFFFAOYSA-N 1 2 369.381 2.473 20 5 FEBDLO CCCc1n[nH]c(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000119409225 326158922 /nfs/dbraw/zinc/15/89/22/326158922.db2.gz JEGKZZFHKRSXTM-GFCCVEGCSA-N 1 2 360.418 2.099 20 5 FEBDLO CCCc1[nH]nc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000119409225 326158923 /nfs/dbraw/zinc/15/89/23/326158923.db2.gz JEGKZZFHKRSXTM-GFCCVEGCSA-N 1 2 360.418 2.099 20 5 FEBDLO O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000119714783 326191127 /nfs/dbraw/zinc/19/11/27/326191127.db2.gz UUFCGYZYISSMRP-UHFFFAOYSA-N 1 2 359.386 2.235 20 5 FEBDLO CN(CC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1[N+](=O)[O-] ZINC000121149798 326316936 /nfs/dbraw/zinc/31/69/36/326316936.db2.gz IHRCMDQTZJHQEC-HNNXBMFYSA-N 1 2 356.382 2.106 20 5 FEBDLO C[C@]1(c2ccccc2)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000121328035 326330152 /nfs/dbraw/zinc/33/01/52/326330152.db2.gz HVTHMUMRKCLBGM-LJQANCHMSA-N 1 2 355.394 2.441 20 5 FEBDLO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000121328035 326330156 /nfs/dbraw/zinc/33/01/56/326330156.db2.gz HVTHMUMRKCLBGM-LJQANCHMSA-N 1 2 355.394 2.441 20 5 FEBDLO Cc1cc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c(N)c([N+](=O)[O-])c1 ZINC000134668278 326629601 /nfs/dbraw/zinc/62/96/01/326629601.db2.gz JLRJSODLODNFRY-UHFFFAOYSA-N 1 2 371.397 2.278 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159697101 326939308 /nfs/dbraw/zinc/93/93/08/326939308.db2.gz RHUKHYYLOLRODL-LBPRGKRZSA-N 1 2 357.370 2.399 20 5 FEBDLO Cc1c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000161204444 326991596 /nfs/dbraw/zinc/99/15/96/326991596.db2.gz AAYOAXJMJPFVIU-GFCCVEGCSA-N 1 2 371.353 2.215 20 5 FEBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161252567 326993218 /nfs/dbraw/zinc/99/32/18/326993218.db2.gz CRTGZOIYLXEMAZ-ZDUSSCGKSA-N 1 2 358.423 2.477 20 5 FEBDLO Cc1c(C[NH+]2CCN(CC(=O)NC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000171393631 327136710 /nfs/dbraw/zinc/13/67/10/327136710.db2.gz XJFTWMJTTZNBEC-UHFFFAOYSA-N 1 2 374.485 2.470 20 5 FEBDLO CCCCNC(=O)Cc1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000171779835 327161048 /nfs/dbraw/zinc/16/10/48/327161048.db2.gz NDBWYJNBNHQVCS-UHFFFAOYSA-N 1 2 370.369 2.289 20 5 FEBDLO Cn1cc([C@@H]2CCC[N@@H+]2[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000173318014 327249701 /nfs/dbraw/zinc/24/97/01/327249701.db2.gz OAAHQDWPIKOONF-DLBZAZTESA-N 1 2 355.398 2.271 20 5 FEBDLO Cn1cc([C@@H]2CCC[N@H+]2[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000173318014 327249702 /nfs/dbraw/zinc/24/97/02/327249702.db2.gz OAAHQDWPIKOONF-DLBZAZTESA-N 1 2 355.398 2.271 20 5 FEBDLO O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177665340 327536647 /nfs/dbraw/zinc/53/66/47/327536647.db2.gz YAZLRINLJWILNG-CPUCHLNUSA-N 1 2 356.382 2.468 20 5 FEBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000178061627 327562759 /nfs/dbraw/zinc/56/27/59/327562759.db2.gz OEFXGYRJEIEBES-UHFFFAOYSA-N 1 2 362.349 2.358 20 5 FEBDLO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178446776 327585734 /nfs/dbraw/zinc/58/57/34/327585734.db2.gz DBQNFKFRNFLPSM-UHFFFAOYSA-N 1 2 373.384 2.457 20 5 FEBDLO COc1ccc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000264182496 328997595 /nfs/dbraw/zinc/99/75/95/328997595.db2.gz NNXVBZQIPLIKCX-UHFFFAOYSA-N 1 2 359.386 2.347 20 5 FEBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000264224768 329001921 /nfs/dbraw/zinc/00/19/21/329001921.db2.gz WRNHTMHVOFYYBD-UHFFFAOYSA-N 1 2 372.303 2.391 20 5 FEBDLO Cc1n[nH]c(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1[N+](=O)[O-] ZINC000264583030 329037887 /nfs/dbraw/zinc/03/78/87/329037887.db2.gz ZOMQHTGIVZWCPL-UHFFFAOYSA-N 1 2 358.402 2.332 20 5 FEBDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000267321980 329314675 /nfs/dbraw/zinc/31/46/75/329314675.db2.gz ACJDVLXOHQTTFB-ZDUSSCGKSA-N 1 2 361.402 2.398 20 5 FEBDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000267321980 329314676 /nfs/dbraw/zinc/31/46/76/329314676.db2.gz ACJDVLXOHQTTFB-ZDUSSCGKSA-N 1 2 361.402 2.398 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000268046347 329380180 /nfs/dbraw/zinc/38/01/80/329380180.db2.gz JMNHFBFTFXOFJJ-SNVBAGLBSA-N 1 2 354.363 2.025 20 5 FEBDLO C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1([NH+]2CCOCC2)CCCC1 ZINC000269288742 329504339 /nfs/dbraw/zinc/50/43/39/329504339.db2.gz OVJYSLZRGVSUAT-ZDUSSCGKSA-N 1 2 363.414 2.064 20 5 FEBDLO NC(=O)CCC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000270990658 329652487 /nfs/dbraw/zinc/65/24/87/329652487.db2.gz BFIGOKSLRANCQI-UHFFFAOYSA-N 1 2 368.821 2.164 20 5 FEBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(C)(OC)CC2)c([N+](=O)[O-])c1 ZINC000271717567 329718671 /nfs/dbraw/zinc/71/86/71/329718671.db2.gz KIXPYTRHBREWDD-UHFFFAOYSA-N 1 2 351.403 2.433 20 5 FEBDLO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000271727930 329719798 /nfs/dbraw/zinc/71/97/98/329719798.db2.gz MWFBDQSGCONBDQ-LSDHHAIUSA-N 1 2 362.430 2.162 20 5 FEBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272320340 329770051 /nfs/dbraw/zinc/77/00/51/329770051.db2.gz TYSYOSIZLYSCNG-UHFFFAOYSA-N 1 2 370.365 2.249 20 5 FEBDLO CS[C@H](CO)[C@@H](C)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272588060 329794428 /nfs/dbraw/zinc/79/44/28/329794428.db2.gz ZMXCNZHFUSGHRS-DFBGVHRSSA-N 1 2 350.444 2.120 20 5 FEBDLO Cc1nn(CCc2nc(Cc3cn4ccccc4[nH+]3)no2)c(C)c1[N+](=O)[O-] ZINC000273803056 329893094 /nfs/dbraw/zinc/89/30/94/329893094.db2.gz WJTFASQPYFOCFK-UHFFFAOYSA-N 1 2 367.369 2.272 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000371448144 330242732 /nfs/dbraw/zinc/24/27/32/330242732.db2.gz ACXQVSINPXMIQN-NSHDSACASA-N 1 2 371.319 2.395 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000371448144 330242733 /nfs/dbraw/zinc/24/27/33/330242733.db2.gz ACXQVSINPXMIQN-NSHDSACASA-N 1 2 371.319 2.395 20 5 FEBDLO Cn1ccnc1[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000371459945 330244449 /nfs/dbraw/zinc/24/44/49/330244449.db2.gz QDGVUGYYYNHWDX-HNNXBMFYSA-N 1 2 366.381 2.491 20 5 FEBDLO C[C@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000247540883 518184229 /nfs/dbraw/zinc/18/42/29/518184229.db2.gz JZQBPXJWOMDHQD-WCQYABFASA-N 1 2 368.390 2.202 20 5 FEBDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)cc1 ZINC000159081951 545920172 /nfs/dbraw/zinc/92/01/72/545920172.db2.gz BXOWCSUIETWNJJ-UHFFFAOYSA-N 1 2 357.414 2.399 20 5 FEBDLO CC1(C)C[N@H+](CCNc2ncc(Br)cc2[N+](=O)[O-])CCO1 ZINC000177823860 546692803 /nfs/dbraw/zinc/69/28/03/546692803.db2.gz PDGQEUJLCXPUJX-UHFFFAOYSA-N 1 2 359.224 2.275 20 5 FEBDLO CC1(C)C[N@@H+](CCNc2ncc(Br)cc2[N+](=O)[O-])CCO1 ZINC000177823860 546692805 /nfs/dbraw/zinc/69/28/05/546692805.db2.gz PDGQEUJLCXPUJX-UHFFFAOYSA-N 1 2 359.224 2.275 20 5 FEBDLO CC(C)(C)NC(=O)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000481110063 561225503 /nfs/dbraw/zinc/22/55/03/561225503.db2.gz GLJLRPIOGZIFNM-UHFFFAOYSA-N 1 2 350.419 2.099 20 5 FEBDLO CCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000481778715 561241865 /nfs/dbraw/zinc/24/18/65/561241865.db2.gz MJRQAKXXVISBCN-AWEZNQCLSA-N 1 2 364.446 2.030 20 5 FEBDLO COCCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000179343104 546935203 /nfs/dbraw/zinc/93/52/03/546935203.db2.gz GRRVBNXRKVEVNQ-KGLIPLIRSA-N 1 2 351.403 2.049 20 5 FEBDLO COCCO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000179343104 546935208 /nfs/dbraw/zinc/93/52/08/546935208.db2.gz GRRVBNXRKVEVNQ-KGLIPLIRSA-N 1 2 351.403 2.049 20 5 FEBDLO COCCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000179352875 546937683 /nfs/dbraw/zinc/93/76/83/546937683.db2.gz MDXOINPYTWZCPJ-CJNGLKHVSA-N 1 2 351.403 2.049 20 5 FEBDLO COCCO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000179352875 546937686 /nfs/dbraw/zinc/93/76/86/546937686.db2.gz MDXOINPYTWZCPJ-CJNGLKHVSA-N 1 2 351.403 2.049 20 5 FEBDLO C[NH+](C)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000180785258 547179539 /nfs/dbraw/zinc/17/95/39/547179539.db2.gz CUXKFZBNXABDJR-AWEZNQCLSA-N 1 2 364.352 2.488 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181339307 547296275 /nfs/dbraw/zinc/29/62/75/547296275.db2.gz ZICJQOIABASFOW-CPCISQLKSA-N 1 2 369.727 2.430 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181339307 547296282 /nfs/dbraw/zinc/29/62/82/547296282.db2.gz ZICJQOIABASFOW-CPCISQLKSA-N 1 2 369.727 2.430 20 5 FEBDLO C[C@H]1C[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)S1=O ZINC000483436724 561277161 /nfs/dbraw/zinc/27/71/61/561277161.db2.gz DXLHHQXULACFQL-STQMWFEESA-N 1 2 362.455 2.337 20 5 FEBDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000181714894 547365714 /nfs/dbraw/zinc/36/57/14/547365714.db2.gz JRFSMEPAKXVUIH-UHFFFAOYSA-N 1 2 356.379 2.065 20 5 FEBDLO C[NH+](C)CCOc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000181970454 547415459 /nfs/dbraw/zinc/41/54/59/547415459.db2.gz QLXTXRSFBMZLRD-UHFFFAOYSA-N 1 2 359.382 2.171 20 5 FEBDLO O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC(n2cc[nH+]c2)CC1 ZINC000182944117 547576221 /nfs/dbraw/zinc/57/62/21/547576221.db2.gz KWOFAAKHKFHUFU-QGZVFWFLSA-N 1 2 369.381 2.148 20 5 FEBDLO COC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(C)o1 ZINC000184700483 547867686 /nfs/dbraw/zinc/86/76/86/547867686.db2.gz BNLZOKMXALCILV-OAHLLOKOSA-N 1 2 359.382 2.363 20 5 FEBDLO CCOC(=O)[C@H](C)[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000184784743 547878867 /nfs/dbraw/zinc/87/88/67/547878867.db2.gz PRPDRSVEMBTJRF-VXGBXAGGSA-N 1 2 360.370 2.098 20 5 FEBDLO CSc1ccc(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1[N+](=O)[O-] ZINC000184938125 547903450 /nfs/dbraw/zinc/90/34/50/547903450.db2.gz IPPPFBBOZRGHRT-UHFFFAOYSA-N 1 2 373.438 2.378 20 5 FEBDLO Cc1nn(Cc2ccc(C(=O)NCc3[nH+]ccn3C)cc2)c(C)c1[N+](=O)[O-] ZINC000485653492 561324962 /nfs/dbraw/zinc/32/49/62/561324962.db2.gz CPSGCRYHAUOPMH-UHFFFAOYSA-N 1 2 368.397 2.120 20 5 FEBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000195340186 548627714 /nfs/dbraw/zinc/62/77/14/548627714.db2.gz OMWUJGRGHKLSEN-UHFFFAOYSA-N 1 2 369.429 2.090 20 5 FEBDLO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](c2ccc(F)cc2)O1 ZINC000245582160 548951102 /nfs/dbraw/zinc/95/11/02/548951102.db2.gz JTKCNMNAKZTMIP-DYVFJYSZSA-N 1 2 361.373 2.358 20 5 FEBDLO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](c2ccc(F)cc2)O1 ZINC000245582160 548951107 /nfs/dbraw/zinc/95/11/07/548951107.db2.gz JTKCNMNAKZTMIP-DYVFJYSZSA-N 1 2 361.373 2.358 20 5 FEBDLO Cn1cc(C[NH+]2CCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)cn1 ZINC000488059658 561382468 /nfs/dbraw/zinc/38/24/68/561382468.db2.gz TUGDYWOKOZEEMP-UHFFFAOYSA-N 1 2 352.398 2.199 20 5 FEBDLO C[C@@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000246415076 549127776 /nfs/dbraw/zinc/12/77/76/549127776.db2.gz LLELEKGDFAELIM-RDBSUJKOSA-N 1 2 350.419 2.064 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3cscn3)CC2)c2nonc21 ZINC000263865722 549947824 /nfs/dbraw/zinc/94/78/24/549947824.db2.gz BIUVJWKKNMXGRK-UHFFFAOYSA-N 1 2 360.399 2.300 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3cscn3)CC2)c2nonc21 ZINC000263865722 549947827 /nfs/dbraw/zinc/94/78/27/549947827.db2.gz BIUVJWKKNMXGRK-UHFFFAOYSA-N 1 2 360.399 2.300 20 5 FEBDLO COc1ccccc1C[N@H+](CCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000264077187 549976166 /nfs/dbraw/zinc/97/61/66/549976166.db2.gz NLOSAWWCBJVLNT-UHFFFAOYSA-N 1 2 374.393 2.464 20 5 FEBDLO COc1ccccc1C[N@@H+](CCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000264077187 549976168 /nfs/dbraw/zinc/97/61/68/549976168.db2.gz NLOSAWWCBJVLNT-UHFFFAOYSA-N 1 2 374.393 2.464 20 5 FEBDLO O=C1CCCN1C1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000264190886 549990519 /nfs/dbraw/zinc/99/05/19/549990519.db2.gz MPSTUMOFHLVLAS-UHFFFAOYSA-N 1 2 371.397 2.232 20 5 FEBDLO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)nc2)C1 ZINC000269485853 550201033 /nfs/dbraw/zinc/20/10/33/550201033.db2.gz BVOKHJISMBVVQS-CQSZACIVSA-N 1 2 371.397 2.088 20 5 FEBDLO CN(C(=O)C[N@H+](CCO)Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000494280638 561466256 /nfs/dbraw/zinc/46/62/56/561466256.db2.gz XTKVCVBWUWEBEG-UHFFFAOYSA-N 1 2 361.373 2.191 20 5 FEBDLO CN(C(=O)C[N@@H+](CCO)Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000494280638 561466257 /nfs/dbraw/zinc/46/62/57/561466257.db2.gz XTKVCVBWUWEBEG-UHFFFAOYSA-N 1 2 361.373 2.191 20 5 FEBDLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccncc1[N+](=O)[O-] ZINC000272752497 550469053 /nfs/dbraw/zinc/46/90/53/550469053.db2.gz TXZXUZGAGNPYEN-HNNXBMFYSA-N 1 2 371.397 2.012 20 5 FEBDLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccncc1[N+](=O)[O-] ZINC000272752497 550469054 /nfs/dbraw/zinc/46/90/54/550469054.db2.gz TXZXUZGAGNPYEN-HNNXBMFYSA-N 1 2 371.397 2.012 20 5 FEBDLO CS(=O)(=O)c1ccc(NC[C@H]2CCCC[N@@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000277546392 550682813 /nfs/dbraw/zinc/68/28/13/550682813.db2.gz XIBKNQMHNRCQLN-CYBMUJFWSA-N 1 2 353.444 2.427 20 5 FEBDLO CS(=O)(=O)c1ccc(NC[C@H]2CCCC[N@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000277546392 550682815 /nfs/dbraw/zinc/68/28/15/550682815.db2.gz XIBKNQMHNRCQLN-CYBMUJFWSA-N 1 2 353.444 2.427 20 5 FEBDLO C[C@H](c1cccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c1)[NH+]1CCOCC1 ZINC000277757948 550710627 /nfs/dbraw/zinc/71/06/27/550710627.db2.gz QWSGCDWDLPXMAY-GFCCVEGCSA-N 1 2 372.381 2.341 20 5 FEBDLO COc1cc(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)c([N+](=O)[O-])cc1OC ZINC000278623096 550805393 /nfs/dbraw/zinc/80/53/93/550805393.db2.gz HKZZMBCTQHISKB-ZDUSSCGKSA-N 1 2 372.443 2.011 20 5 FEBDLO COc1cc(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)c([N+](=O)[O-])cc1OC ZINC000278623096 550805395 /nfs/dbraw/zinc/80/53/95/550805395.db2.gz HKZZMBCTQHISKB-ZDUSSCGKSA-N 1 2 372.443 2.011 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000279744427 550924069 /nfs/dbraw/zinc/92/40/69/550924069.db2.gz KUWUNSURPMUCEB-ZXTQRBJTSA-N 1 2 363.414 2.190 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000279744427 550924071 /nfs/dbraw/zinc/92/40/71/550924071.db2.gz KUWUNSURPMUCEB-ZXTQRBJTSA-N 1 2 363.414 2.190 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279982629 550949736 /nfs/dbraw/zinc/94/97/36/550949736.db2.gz ZPAYGADGGDFEOL-KGLIPLIRSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279982629 550949738 /nfs/dbraw/zinc/94/97/38/550949738.db2.gz ZPAYGADGGDFEOL-KGLIPLIRSA-N 1 2 363.414 2.192 20 5 FEBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2[nH]ncc2[N+](=O)[O-])c(C)c1 ZINC000495999073 561491803 /nfs/dbraw/zinc/49/18/03/561491803.db2.gz HLFFUNFRPHLLCV-AWEZNQCLSA-N 1 2 354.370 2.303 20 5 FEBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2n[nH]cc2[N+](=O)[O-])c(C)c1 ZINC000495999073 561491804 /nfs/dbraw/zinc/49/18/04/561491804.db2.gz HLFFUNFRPHLLCV-AWEZNQCLSA-N 1 2 354.370 2.303 20 5 FEBDLO Cc1cnc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000280736006 551026588 /nfs/dbraw/zinc/02/65/88/551026588.db2.gz KNMOTSYCRGOSQS-MSOLQXFVSA-N 1 2 354.410 2.388 20 5 FEBDLO Cc1cnc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000280736006 551026590 /nfs/dbraw/zinc/02/65/90/551026590.db2.gz KNMOTSYCRGOSQS-MSOLQXFVSA-N 1 2 354.410 2.388 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000282693459 551260727 /nfs/dbraw/zinc/26/07/27/551260727.db2.gz FFXYQFVDJHGJIA-UHFFFAOYSA-N 1 2 365.430 2.176 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC000282693459 551260728 /nfs/dbraw/zinc/26/07/28/551260728.db2.gz FFXYQFVDJHGJIA-UHFFFAOYSA-N 1 2 365.430 2.176 20 5 FEBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@H]21 ZINC000283834147 551435095 /nfs/dbraw/zinc/43/50/95/551435095.db2.gz ASTWHSCQPCEMQF-ZIAGYGMSSA-N 1 2 373.331 2.159 20 5 FEBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@H]21 ZINC000283834147 551435096 /nfs/dbraw/zinc/43/50/96/551435096.db2.gz ASTWHSCQPCEMQF-ZIAGYGMSSA-N 1 2 373.331 2.159 20 5 FEBDLO O=c1[nH]nc([C@H]2CCC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)o1 ZINC000284321048 551523537 /nfs/dbraw/zinc/52/35/37/551523537.db2.gz PPWINVGEEDQTEV-LBPRGKRZSA-N 1 2 371.353 2.306 20 5 FEBDLO O=c1[nH]nc([C@H]2CCC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)o1 ZINC000284321048 551523539 /nfs/dbraw/zinc/52/35/39/551523539.db2.gz PPWINVGEEDQTEV-LBPRGKRZSA-N 1 2 371.353 2.306 20 5 FEBDLO COc1cc[nH+]cc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000498402585 561524143 /nfs/dbraw/zinc/52/41/43/561524143.db2.gz DIUJQMXYYFOHRE-UHFFFAOYSA-N 1 2 372.337 2.325 20 5 FEBDLO O=c1[nH]c(N2CC[NH+](Cc3ccco3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000286010970 551838112 /nfs/dbraw/zinc/83/81/12/551838112.db2.gz FBSADIQWVRLGBH-UHFFFAOYSA-N 1 2 355.354 2.159 20 5 FEBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000499714070 561556892 /nfs/dbraw/zinc/55/68/92/561556892.db2.gz QSDCWXNRPGQHFT-UHFFFAOYSA-N 1 2 355.354 2.022 20 5 FEBDLO CC(C)[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000289040289 552256739 /nfs/dbraw/zinc/25/67/39/552256739.db2.gz XGCPRMTWPDAVAX-AWEZNQCLSA-N 1 2 352.416 2.177 20 5 FEBDLO Cc1cc[nH+]cc1N1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000500690484 561579572 /nfs/dbraw/zinc/57/95/72/561579572.db2.gz VDMPTBKYQRKAMZ-UHFFFAOYSA-N 1 2 369.425 2.449 20 5 FEBDLO NC(=O)c1ccnc(NCc2cc[nH+]c(N3CCCCC3)c2)c1[N+](=O)[O-] ZINC000290576914 552501254 /nfs/dbraw/zinc/50/12/54/552501254.db2.gz VFFGAMLSNSAKNN-UHFFFAOYSA-N 1 2 356.386 2.086 20 5 FEBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000293277557 552806250 /nfs/dbraw/zinc/80/62/50/552806250.db2.gz VHMNWPAVXXOPDO-GOSISDBHSA-N 1 2 373.384 2.225 20 5 FEBDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)cc1 ZINC000502080736 561611587 /nfs/dbraw/zinc/61/15/87/561611587.db2.gz QAFAIQINDKQMFU-UHFFFAOYSA-N 1 2 371.441 2.410 20 5 FEBDLO C[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000296395568 553152673 /nfs/dbraw/zinc/15/26/73/553152673.db2.gz TZYAEOBVLZSSOC-ZDUSSCGKSA-N 1 2 350.419 2.066 20 5 FEBDLO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000296482063 553167211 /nfs/dbraw/zinc/16/72/11/553167211.db2.gz IIHLDUGGFDZWFS-UHFFFAOYSA-N 1 2 354.363 2.460 20 5 FEBDLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000296482063 553167212 /nfs/dbraw/zinc/16/72/12/553167212.db2.gz IIHLDUGGFDZWFS-UHFFFAOYSA-N 1 2 354.363 2.460 20 5 FEBDLO COc1cc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])cc1F ZINC000296644059 553192313 /nfs/dbraw/zinc/19/23/13/553192313.db2.gz WUHVTMOIRFCGPB-NSHDSACASA-N 1 2 360.345 2.146 20 5 FEBDLO Cc1ccn2cc(CNS(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)[nH+]c2c1 ZINC000503423981 561641082 /nfs/dbraw/zinc/64/10/82/561641082.db2.gz DUNIWQYSRVPCPE-UHFFFAOYSA-N 1 2 374.422 2.213 20 5 FEBDLO O=C(C1CC1)N1CCN(c2ccc(Nc3ccc([N+](=O)[O-])cn3)c[nH+]2)CC1 ZINC000299627138 553590969 /nfs/dbraw/zinc/59/09/69/553590969.db2.gz RKQBDNLSFKQDMR-UHFFFAOYSA-N 1 2 368.397 2.187 20 5 FEBDLO Cc1ccc(N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000301461767 553653631 /nfs/dbraw/zinc/65/36/31/553653631.db2.gz ZWYPLPDVCNUNNG-MRXNPFEDSA-N 1 2 360.458 2.426 20 5 FEBDLO O=[N+]([O-])c1cnc2ccc(N[C@@H](C[NH+]3CCOCC3)c3ccccc3)nn21 ZINC000301819480 553682146 /nfs/dbraw/zinc/68/21/46/553682146.db2.gz APOLPMYJMDSYFZ-HNNXBMFYSA-N 1 2 368.397 2.123 20 5 FEBDLO CS(=O)(=O)c1cccc(N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000301901710 553690464 /nfs/dbraw/zinc/69/04/64/553690464.db2.gz NPYIGZHZOVUJGL-UHFFFAOYSA-N 1 2 353.444 2.063 20 5 FEBDLO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1-n1cc[nH+]c1 ZINC000302705739 553727307 /nfs/dbraw/zinc/72/73/07/553727307.db2.gz YHNWNCJHXNLQAY-UHFFFAOYSA-N 1 2 373.394 2.040 20 5 FEBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505468160 561671587 /nfs/dbraw/zinc/67/15/87/561671587.db2.gz IYFXGAJWQZIXKG-QGZVFWFLSA-N 1 2 359.357 2.286 20 5 FEBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(N3CCCC[C@@H]3CO)nc[nH+]1)CC2 ZINC000302903768 553741473 /nfs/dbraw/zinc/74/14/73/553741473.db2.gz RQFKAPZLJZOMQB-QGZVFWFLSA-N 1 2 369.425 2.299 20 5 FEBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(N3CCCC[C@@H]3CO)[nH+]cn1)CC2 ZINC000302903768 553741475 /nfs/dbraw/zinc/74/14/75/553741475.db2.gz RQFKAPZLJZOMQB-QGZVFWFLSA-N 1 2 369.425 2.299 20 5 FEBDLO CN(C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000330816867 554175431 /nfs/dbraw/zinc/17/54/31/554175431.db2.gz OYUKRSWPFXIYLO-UHFFFAOYSA-N 1 2 361.851 2.104 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[S@](=O)CC1(C)C ZINC000331017079 554201404 /nfs/dbraw/zinc/20/14/04/554201404.db2.gz PQJUNYUZNCKTBH-DEOSSOPVSA-N 1 2 353.444 2.075 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[S@](=O)CC1(C)C ZINC000331017079 554201406 /nfs/dbraw/zinc/20/14/06/554201406.db2.gz PQJUNYUZNCKTBH-DEOSSOPVSA-N 1 2 353.444 2.075 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000331031812 554203839 /nfs/dbraw/zinc/20/38/39/554203839.db2.gz ZXDKPXWIFQENES-XMMPIXPASA-N 1 2 353.444 2.075 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[S@@](=O)CC1(C)C ZINC000331031812 554203843 /nfs/dbraw/zinc/20/38/43/554203843.db2.gz ZXDKPXWIFQENES-XMMPIXPASA-N 1 2 353.444 2.075 20 5 FEBDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000331589816 554290196 /nfs/dbraw/zinc/29/01/96/554290196.db2.gz PQVTUOAXJLDWAJ-XCRHUMRWSA-N 1 2 363.414 2.192 20 5 FEBDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000331589816 554290197 /nfs/dbraw/zinc/29/01/97/554290197.db2.gz PQVTUOAXJLDWAJ-XCRHUMRWSA-N 1 2 363.414 2.192 20 5 FEBDLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364320916 555290689 /nfs/dbraw/zinc/29/06/89/555290689.db2.gz ALRDBQNGXGWFEM-CQSZACIVSA-N 1 2 373.413 2.384 20 5 FEBDLO COc1ccc(C)cc1NC(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364320916 555290692 /nfs/dbraw/zinc/29/06/92/555290692.db2.gz ALRDBQNGXGWFEM-CQSZACIVSA-N 1 2 373.413 2.384 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000365151819 555496332 /nfs/dbraw/zinc/49/63/32/555496332.db2.gz ANTANPAXHVHOKC-LBPRGKRZSA-N 1 2 350.400 2.461 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCc2cc[nH]c(=O)c2C1 ZINC000365285152 555531683 /nfs/dbraw/zinc/53/16/83/555531683.db2.gz VPQGTIJOFKJYPE-UHFFFAOYSA-N 1 2 365.349 2.080 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCn2c[nH+]cc2C1 ZINC000365809642 555671924 /nfs/dbraw/zinc/67/19/24/555671924.db2.gz YACQAKZJHXOOOT-UHFFFAOYSA-N 1 2 351.160 2.210 20 5 FEBDLO CC[C@@H](C)NC(=O)CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513648661 561945802 /nfs/dbraw/zinc/94/58/02/561945802.db2.gz UHWHWZHSZVDRJC-DYVFJYSZSA-N 1 2 359.430 2.312 20 5 FEBDLO Cn1ccnc1[C@@H]([NH2+]CCNC(=O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000513703289 561947242 /nfs/dbraw/zinc/94/72/42/561947242.db2.gz STYDZVVJHZXTBC-INIZCTEOSA-N 1 2 369.381 2.030 20 5 FEBDLO COc1ccc(CSCC(=O)N2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000366372766 555825397 /nfs/dbraw/zinc/82/53/97/555825397.db2.gz UWAOJIMSQATFJT-UHFFFAOYSA-N 1 2 362.411 2.076 20 5 FEBDLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000366443002 555845645 /nfs/dbraw/zinc/84/56/45/555845645.db2.gz KWDJTWMHCRQWFA-JTQLQIEISA-N 1 2 366.361 2.480 20 5 FEBDLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000366443002 555845649 /nfs/dbraw/zinc/84/56/49/555845649.db2.gz KWDJTWMHCRQWFA-JTQLQIEISA-N 1 2 366.361 2.480 20 5 FEBDLO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000367556391 556082029 /nfs/dbraw/zinc/08/20/29/556082029.db2.gz YAAMSRRIMVKBFA-SUMWQHHRSA-N 1 2 370.409 2.336 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000367556391 556082033 /nfs/dbraw/zinc/08/20/33/556082033.db2.gz YAAMSRRIMVKBFA-SUMWQHHRSA-N 1 2 370.409 2.336 20 5 FEBDLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368116957 556223289 /nfs/dbraw/zinc/22/32/89/556223289.db2.gz ZJFAKALKQDMZHK-ZDUSSCGKSA-N 1 2 355.358 2.308 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368427386 556305995 /nfs/dbraw/zinc/30/59/95/556305995.db2.gz UKGPXMKGLISIOZ-MRXNPFEDSA-N 1 2 366.381 2.454 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000369351131 556577114 /nfs/dbraw/zinc/57/71/14/556577114.db2.gz ZSKZWEIXXKQNHF-CYBMUJFWSA-N 1 2 364.427 2.205 20 5 FEBDLO O=c1[nH]c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)nc2ccsc21 ZINC000369670032 556664461 /nfs/dbraw/zinc/66/44/61/556664461.db2.gz IGUZHGJFEUGCRN-UHFFFAOYSA-N 1 2 360.399 2.339 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CN2CCCC2=O)CC1 ZINC000369810060 556701242 /nfs/dbraw/zinc/70/12/42/556701242.db2.gz HTCRHFCLTXBEEL-UHFFFAOYSA-N 1 2 374.441 2.176 20 5 FEBDLO Cc1cc(N2CCC(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)nc[nH+]1 ZINC000370272834 556826852 /nfs/dbraw/zinc/82/68/52/556826852.db2.gz MPDZCLIHOKBXAT-AATRIKPKSA-N 1 2 367.409 2.492 20 5 FEBDLO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000371994552 557350983 /nfs/dbraw/zinc/35/09/83/557350983.db2.gz XTDZBKLRUCSOAZ-GOEBONIOSA-N 1 2 351.378 2.107 20 5 FEBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3nccc(C)c3[N+](=O)[O-])CC2)no1 ZINC000372571542 557508469 /nfs/dbraw/zinc/50/84/69/557508469.db2.gz HKLIDHZOISVNNV-AWEZNQCLSA-N 1 2 360.418 2.481 20 5 FEBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3nccc(C)c3[N+](=O)[O-])CC2)no1 ZINC000372571542 557508470 /nfs/dbraw/zinc/50/84/70/557508470.db2.gz HKLIDHZOISVNNV-AWEZNQCLSA-N 1 2 360.418 2.481 20 5 FEBDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000372573076 557508677 /nfs/dbraw/zinc/50/86/77/557508677.db2.gz LCHYSOOWYFKGLG-LXXRFIIISA-N 1 2 367.409 2.131 20 5 FEBDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000372573076 557508678 /nfs/dbraw/zinc/50/86/78/557508678.db2.gz LCHYSOOWYFKGLG-LXXRFIIISA-N 1 2 367.409 2.131 20 5 FEBDLO Cn1cc[nH+]c1[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccccc1F ZINC000519548383 562134501 /nfs/dbraw/zinc/13/45/01/562134501.db2.gz TXBUNPHGCDFELG-ZDUSSCGKSA-N 1 2 370.344 2.163 20 5 FEBDLO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cn2c([nH+]1)CCCC2 ZINC000372994422 557606126 /nfs/dbraw/zinc/60/61/26/557606126.db2.gz DHTRXGHIHJIJNO-UHFFFAOYSA-N 1 2 369.425 2.149 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000373770101 557755313 /nfs/dbraw/zinc/75/53/13/557755313.db2.gz JBLQITWFQBNWTB-ZDUSSCGKSA-N 1 2 373.373 2.258 20 5 FEBDLO Cc1cc(OCC(=O)NCc2cccnc2-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000374013581 557807554 /nfs/dbraw/zinc/80/75/54/557807554.db2.gz IBZXLPNJRDVCHM-UHFFFAOYSA-N 1 2 367.365 2.179 20 5 FEBDLO COc1ccc(NC(=O)C[NH+]2CCC(OCC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000374096518 557822735 /nfs/dbraw/zinc/82/27/35/557822735.db2.gz YGERLZZANWFXDR-UHFFFAOYSA-N 1 2 363.414 2.433 20 5 FEBDLO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000374391294 557877588 /nfs/dbraw/zinc/87/75/88/557877588.db2.gz XGAQNRHJCQBGQR-OAHLLOKOSA-N 1 2 359.357 2.286 20 5 FEBDLO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1C1CC[NH+](C)CC1 ZINC000374600048 557905087 /nfs/dbraw/zinc/90/50/87/557905087.db2.gz ABNSTEUYULFTHK-INIZCTEOSA-N 1 2 362.474 2.074 20 5 FEBDLO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374871531 557943974 /nfs/dbraw/zinc/94/39/74/557943974.db2.gz DCLLSVAIWCVRRC-UHFFFAOYSA-N 1 2 358.383 2.342 20 5 FEBDLO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374871531 557943976 /nfs/dbraw/zinc/94/39/76/557943976.db2.gz DCLLSVAIWCVRRC-UHFFFAOYSA-N 1 2 358.383 2.342 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000375308532 558007286 /nfs/dbraw/zinc/00/72/86/558007286.db2.gz FRQVTVUMWJGGGP-UHFFFAOYSA-N 1 2 352.341 2.090 20 5 FEBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3ncnn3-c3ccccc3)C2)c1 ZINC000375612964 558057057 /nfs/dbraw/zinc/05/70/57/558057057.db2.gz PGEJILNPIVRVCB-HNNXBMFYSA-N 1 2 353.386 2.209 20 5 FEBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3ncnn3-c3ccccc3)C2)c1 ZINC000375612964 558057059 /nfs/dbraw/zinc/05/70/59/558057059.db2.gz PGEJILNPIVRVCB-HNNXBMFYSA-N 1 2 353.386 2.209 20 5 FEBDLO COc1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])cc1OC ZINC000375731725 558073831 /nfs/dbraw/zinc/07/38/31/558073831.db2.gz OQMFFBIUFSQEDB-GFCCVEGCSA-N 1 2 374.397 2.365 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000375766773 558079621 /nfs/dbraw/zinc/07/96/21/558079621.db2.gz XVXVJYGEGBISFH-WCQYABFASA-N 1 2 359.386 2.493 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000375766773 558079622 /nfs/dbraw/zinc/07/96/22/558079622.db2.gz XVXVJYGEGBISFH-WCQYABFASA-N 1 2 359.386 2.493 20 5 FEBDLO COC(=O)[C@@H](c1ccsc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000375922847 558100438 /nfs/dbraw/zinc/10/04/38/558100438.db2.gz XIJUSXCQMJTIJP-CQSZACIVSA-N 1 2 350.400 2.404 20 5 FEBDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)CC2 ZINC000377844672 558433932 /nfs/dbraw/zinc/43/39/32/558433932.db2.gz YARVBNGSWXSNPQ-UHFFFAOYSA-N 1 2 374.781 2.097 20 5 FEBDLO CC(C)[C@]1(CO)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000378040023 558468367 /nfs/dbraw/zinc/46/83/67/558468367.db2.gz JQUZYLJPZCIMEZ-GOSISDBHSA-N 1 2 358.398 2.261 20 5 FEBDLO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408182436 558654668 /nfs/dbraw/zinc/65/46/68/558654668.db2.gz KQMXWQDLLAVRAB-DGCLKSJQSA-N 1 2 373.862 2.496 20 5 FEBDLO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408182436 558654669 /nfs/dbraw/zinc/65/46/69/558654669.db2.gz KQMXWQDLLAVRAB-DGCLKSJQSA-N 1 2 373.862 2.496 20 5 FEBDLO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000408183976 558654771 /nfs/dbraw/zinc/65/47/71/558654771.db2.gz VQLZVCSEFBJHED-YPMHNXCESA-N 1 2 373.862 2.496 20 5 FEBDLO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000408183976 558654772 /nfs/dbraw/zinc/65/47/72/558654772.db2.gz VQLZVCSEFBJHED-YPMHNXCESA-N 1 2 373.862 2.496 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000408182936 558654792 /nfs/dbraw/zinc/65/47/92/558654792.db2.gz OCFQZHOONMIICC-XJKSGUPXSA-N 1 2 367.471 2.405 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000408182936 558654794 /nfs/dbraw/zinc/65/47/94/558654794.db2.gz OCFQZHOONMIICC-XJKSGUPXSA-N 1 2 367.471 2.405 20 5 FEBDLO COc1cc(C(=O)NCc2cn3cccc(C)c3[nH+]2)cc([N+](=O)[O-])c1OC ZINC000524646342 562231540 /nfs/dbraw/zinc/23/15/40/562231540.db2.gz GMLGFSLUUYISDH-UHFFFAOYSA-N 1 2 370.365 2.498 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000411580625 558922313 /nfs/dbraw/zinc/92/23/13/558922313.db2.gz GXHREJWBDROTMI-WCQYABFASA-N 1 2 357.370 2.169 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCCc3c(cnn3C)C2)cccc1[N+](=O)[O-] ZINC000411861771 558978044 /nfs/dbraw/zinc/97/80/44/558978044.db2.gz XLWGYTIDTBUNAW-CYBMUJFWSA-N 1 2 357.414 2.412 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCCc3c(cnn3C)C2)cccc1[N+](=O)[O-] ZINC000411861771 558978045 /nfs/dbraw/zinc/97/80/45/558978045.db2.gz XLWGYTIDTBUNAW-CYBMUJFWSA-N 1 2 357.414 2.412 20 5 FEBDLO Cc1[nH+]ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1Br ZINC000525870703 562257939 /nfs/dbraw/zinc/25/79/39/562257939.db2.gz ZUALPXDOVAKYPM-UHFFFAOYSA-N 1 2 372.200 2.283 20 5 FEBDLO COC(=O)[C@]1(C)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000412912618 559063774 /nfs/dbraw/zinc/06/37/74/559063774.db2.gz QHOUHVYZBKGSHQ-GOSISDBHSA-N 1 2 372.381 2.196 20 5 FEBDLO Cn1cc[nH+]c1CN1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413128275 559081087 /nfs/dbraw/zinc/08/10/87/559081087.db2.gz NZXDEXUSJFFROV-UHFFFAOYSA-N 1 2 352.398 2.199 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413286495 559095686 /nfs/dbraw/zinc/09/56/86/559095686.db2.gz ZASUUKZWQGHXJC-ZYHUDNBSSA-N 1 2 360.336 2.308 20 5 FEBDLO COC(=O)COc1ccc(C[N@@H+]2CCO[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000414471276 559166928 /nfs/dbraw/zinc/16/69/28/559166928.db2.gz LCZQYMPAEAVFSG-KRWDZBQOSA-N 1 2 364.398 2.148 20 5 FEBDLO COC(=O)COc1ccc(C[N@H+]2CCO[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000414471276 559166929 /nfs/dbraw/zinc/16/69/29/559166929.db2.gz LCZQYMPAEAVFSG-KRWDZBQOSA-N 1 2 364.398 2.148 20 5 FEBDLO Cc1cc(S(=O)(=O)NCc2ccc[nH+]c2N(C)C)c(C)cc1[N+](=O)[O-] ZINC000416374947 559308445 /nfs/dbraw/zinc/30/84/45/559308445.db2.gz QPEYTKICKHGHPT-UHFFFAOYSA-N 1 2 364.427 2.151 20 5 FEBDLO CO[C@H](CC(C)C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000419188751 559431984 /nfs/dbraw/zinc/43/19/84/559431984.db2.gz OSXXJMYKHSHHLV-CYBMUJFWSA-N 1 2 355.460 2.475 20 5 FEBDLO Cc1cc(CNc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000420651073 559495284 /nfs/dbraw/zinc/49/52/84/559495284.db2.gz JGUHEZGGUXZLPG-UHFFFAOYSA-N 1 2 364.427 2.469 20 5 FEBDLO Cc1c(Cl)c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1C ZINC000421318927 559539081 /nfs/dbraw/zinc/53/90/81/559539081.db2.gz IZQBNCDBTSRAFU-NSHDSACASA-N 1 2 350.810 2.372 20 5 FEBDLO Cc1c(Cl)c(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1C ZINC000421318927 559539082 /nfs/dbraw/zinc/53/90/82/559539082.db2.gz IZQBNCDBTSRAFU-NSHDSACASA-N 1 2 350.810 2.372 20 5 FEBDLO COC(=O)c1ncccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000427340302 559753694 /nfs/dbraw/zinc/75/36/94/559753694.db2.gz RWJSNJLKJKVUHV-UHFFFAOYSA-N 1 2 367.321 2.214 20 5 FEBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000428537873 559777570 /nfs/dbraw/zinc/77/75/70/559777570.db2.gz VQYSKQXSLJMCPR-ZDUSSCGKSA-N 1 2 367.471 2.236 20 5 FEBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000428537873 559777571 /nfs/dbraw/zinc/77/75/71/559777571.db2.gz VQYSKQXSLJMCPR-ZDUSSCGKSA-N 1 2 367.471 2.236 20 5 FEBDLO COc1ccc(C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000428840936 559784564 /nfs/dbraw/zinc/78/45/64/559784564.db2.gz PJSWIAFBRPZMOO-AWEZNQCLSA-N 1 2 356.444 2.393 20 5 FEBDLO COc1ccc(C[N@H+]2CCCC[C@H]2CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000428840936 559784565 /nfs/dbraw/zinc/78/45/65/559784565.db2.gz PJSWIAFBRPZMOO-AWEZNQCLSA-N 1 2 356.444 2.393 20 5 FEBDLO COC(=O)c1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc([N+](=O)[O-])c1 ZINC000434025105 559892743 /nfs/dbraw/zinc/89/27/43/559892743.db2.gz ZVBDVFUQVVRLAX-MRXNPFEDSA-N 1 2 371.349 2.070 20 5 FEBDLO CCc1nc(C(C)(C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)no1 ZINC000441686719 560037626 /nfs/dbraw/zinc/03/76/26/560037626.db2.gz BIXONTWDZGDZRG-UHFFFAOYSA-N 1 2 370.369 2.391 20 5 FEBDLO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nnnn1-c1ccccc1 ZINC000444690007 560118198 /nfs/dbraw/zinc/11/81/98/560118198.db2.gz QMISMRDQXIOGJP-LLVKDONJSA-N 1 2 364.369 2.298 20 5 FEBDLO CC(C)OC(=O)[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449972850 560246760 /nfs/dbraw/zinc/24/67/60/560246760.db2.gz GLUGRGBYNJQUJR-GFCCVEGCSA-N 1 2 360.370 2.098 20 5 FEBDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ncc([N+](=O)[O-])c(C)n2)cc1 ZINC000450229642 560254807 /nfs/dbraw/zinc/25/48/07/560254807.db2.gz OVFQZVIGLJIEQI-MRXNPFEDSA-N 1 2 357.414 2.487 20 5 FEBDLO Cc1nc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000450234843 560255047 /nfs/dbraw/zinc/25/50/47/560255047.db2.gz VEJXDNHUFMSZMH-UHFFFAOYSA-N 1 2 370.413 2.208 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2csc(NC[C@H]3C[N@@H+](C4CC4)CCO3)n2)cc1 ZINC000450318522 560258495 /nfs/dbraw/zinc/25/84/95/560258495.db2.gz NYWHKHHKKQRTEF-HNNXBMFYSA-N 1 2 360.439 2.993 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2csc(NC[C@H]3C[N@H+](C4CC4)CCO3)n2)cc1 ZINC000450318522 560258496 /nfs/dbraw/zinc/25/84/96/560258496.db2.gz NYWHKHHKKQRTEF-HNNXBMFYSA-N 1 2 360.439 2.993 20 5 FEBDLO C/C=C/C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OCC ZINC000450904608 560277870 /nfs/dbraw/zinc/27/78/70/560277870.db2.gz BZSUOLSBNZBHGW-LYKUJDHUSA-N 1 2 372.381 2.408 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451647010 560319167 /nfs/dbraw/zinc/31/91/67/560319167.db2.gz HIYYDYMMFVVHJN-CQSZACIVSA-N 1 2 351.428 2.369 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000451647010 560319168 /nfs/dbraw/zinc/31/91/68/560319168.db2.gz HIYYDYMMFVVHJN-CQSZACIVSA-N 1 2 351.428 2.369 20 5 FEBDLO Cn1ccnc1[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000451675818 560321339 /nfs/dbraw/zinc/32/13/39/560321339.db2.gz BMVZORACKSYITD-MRXNPFEDSA-N 1 2 366.381 2.395 20 5 FEBDLO CCOc1cc(C[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000451746116 560326148 /nfs/dbraw/zinc/32/61/48/560326148.db2.gz XBSUQYGMVQLXHK-KRWDZBQOSA-N 1 2 368.455 2.394 20 5 FEBDLO CCOc1cc(C[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000451746116 560326149 /nfs/dbraw/zinc/32/61/49/560326149.db2.gz XBSUQYGMVQLXHK-KRWDZBQOSA-N 1 2 368.455 2.394 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000451936222 560339233 /nfs/dbraw/zinc/33/92/33/560339233.db2.gz TZEARARAAYXPKN-LLVKDONJSA-N 1 2 352.416 2.413 20 5 FEBDLO CNc1nc(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)ccc1[N+](=O)[O-] ZINC000455256225 560475809 /nfs/dbraw/zinc/47/58/09/560475809.db2.gz GXKNXQQYOIJUEC-NSHDSACASA-N 1 2 372.429 2.270 20 5 FEBDLO C[C@H]1C[C@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c2[nH+]ccn21 ZINC000455492165 560484289 /nfs/dbraw/zinc/48/42/89/560484289.db2.gz XRGNGBRFVUCLNI-BBRMVZONSA-N 1 2 370.413 2.329 20 5 FEBDLO C[C@H]1C[C@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c2[nH+]ccn21 ZINC000455489889 560484344 /nfs/dbraw/zinc/48/43/44/560484344.db2.gz TYEJPHVHWCMAGP-KBPBESRZSA-N 1 2 370.413 2.329 20 5 FEBDLO CCc1[nH]nc(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3[C@@H](C)CO)c1[N+](=O)[O-] ZINC000456707847 560530091 /nfs/dbraw/zinc/53/00/91/560530091.db2.gz JXLYTRDAQBIJIA-VIFPVBQESA-N 1 2 372.385 2.344 20 5 FEBDLO Cc1cc(C)c(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c[nH+]1 ZINC000456833115 560533983 /nfs/dbraw/zinc/53/39/83/560533983.db2.gz GPFRVMLPHXTBSP-AWEZNQCLSA-N 1 2 372.381 2.121 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000457962454 560596746 /nfs/dbraw/zinc/59/67/46/560596746.db2.gz QEYBEBFWNOEGDZ-YOEHRIQHSA-N 1 2 368.393 2.422 20 5 FEBDLO CO[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C12CCC2 ZINC000458155885 560605837 /nfs/dbraw/zinc/60/58/37/560605837.db2.gz BUDFFBHVPYWTSA-HOTGVXAUSA-N 1 2 356.382 2.468 20 5 FEBDLO Cc1[nH]c2ccc(COc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])cc2[nH+]1 ZINC000460453772 560743956 /nfs/dbraw/zinc/74/39/56/560743956.db2.gz JUTOUHBCIOHTNT-UHFFFAOYSA-N 1 2 362.367 2.006 20 5 FEBDLO Cc1[nH]c2cc(COc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])ccc2[nH+]1 ZINC000460453772 560743957 /nfs/dbraw/zinc/74/39/57/560743957.db2.gz JUTOUHBCIOHTNT-UHFFFAOYSA-N 1 2 362.367 2.006 20 5 FEBDLO CCN1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000474232680 561068935 /nfs/dbraw/zinc/06/89/35/561068935.db2.gz PUJGTAQISGOHOY-BBRMVZONSA-N 1 2 372.429 2.467 20 5 FEBDLO COC(=O)COc1ccc(C[N@@H+]2CCc3ccc(O)cc3C2)cc1[N+](=O)[O-] ZINC000475565082 561100020 /nfs/dbraw/zinc/10/00/20/561100020.db2.gz OCTXBKDMIOUGKR-UHFFFAOYSA-N 1 2 372.377 2.411 20 5 FEBDLO COC(=O)COc1ccc(C[N@H+]2CCc3ccc(O)cc3C2)cc1[N+](=O)[O-] ZINC000475565082 561100021 /nfs/dbraw/zinc/10/00/21/561100021.db2.gz OCTXBKDMIOUGKR-UHFFFAOYSA-N 1 2 372.377 2.411 20 5 FEBDLO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@H]1n1cc[nH+]c1 ZINC000531834570 562458344 /nfs/dbraw/zinc/45/83/44/562458344.db2.gz GXVDZIPVJSVIRU-SWLSCSKDSA-N 1 2 372.381 2.286 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H]1c1ccccn1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000532650212 562484451 /nfs/dbraw/zinc/48/44/51/562484451.db2.gz RFRUVWWORDXJQA-CQSZACIVSA-N 1 2 370.365 2.494 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H]1c1ccccn1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000532650212 562484452 /nfs/dbraw/zinc/48/44/52/562484452.db2.gz RFRUVWWORDXJQA-CQSZACIVSA-N 1 2 370.365 2.494 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3[nH+]ccn3CC(F)(F)F)C2)nc1 ZINC000532704555 562486108 /nfs/dbraw/zinc/48/61/08/562486108.db2.gz RWGOICCEBSQMHE-NSHDSACASA-N 1 2 370.335 2.435 20 5 FEBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000532877066 562491486 /nfs/dbraw/zinc/49/14/86/562491486.db2.gz SQZGXABYNDIRIQ-UHFFFAOYSA-N 1 2 353.342 2.143 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)nn1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000533006581 562495427 /nfs/dbraw/zinc/49/54/27/562495427.db2.gz UUYUZOQRCIHEFR-UHFFFAOYSA-N 1 2 364.365 2.375 20 5 FEBDLO CC(C)(C)OC(=O)C1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCCC1 ZINC000535624198 562562696 /nfs/dbraw/zinc/56/26/96/562562696.db2.gz MINLNKXUANTOKS-UHFFFAOYSA-N 1 2 351.403 2.001 20 5 FEBDLO Cc1cc[nH+]cc1N1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000536495665 562576907 /nfs/dbraw/zinc/57/69/07/562576907.db2.gz BNRYVRMZUJIZNM-OAHLLOKOSA-N 1 2 369.425 2.447 20 5 FEBDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1ccccc1 ZINC000541924686 562623558 /nfs/dbraw/zinc/62/35/58/562623558.db2.gz XSQLUPLEDRUADZ-OAHLLOKOSA-N 1 2 352.354 2.056 20 5 FEBDLO Nc1c(F)cccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000602470474 567980470 /nfs/dbraw/zinc/98/04/70/567980470.db2.gz GINDDYAABXKPSY-UHFFFAOYSA-N 1 2 358.373 2.274 20 5 FEBDLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000568522715 568046071 /nfs/dbraw/zinc/04/60/71/568046071.db2.gz ZIZOAFZEPPPZLO-PELKAZGASA-N 1 2 362.167 2.155 20 5 FEBDLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000568522715 568046072 /nfs/dbraw/zinc/04/60/72/568046072.db2.gz ZIZOAFZEPPPZLO-PELKAZGASA-N 1 2 362.167 2.155 20 5 FEBDLO O=C(CNc1ccccc1[N+](=O)[O-])NCC1CC[NH+](CC(F)F)CC1 ZINC000569271830 568324387 /nfs/dbraw/zinc/32/43/87/568324387.db2.gz CZSRPJWBLDNZPM-UHFFFAOYSA-N 1 2 356.373 2.100 20 5 FEBDLO CCc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000570511789 568489661 /nfs/dbraw/zinc/48/96/61/568489661.db2.gz DBUUFTUESVMAKA-MRXNPFEDSA-N 1 2 355.460 2.118 20 5 FEBDLO CCc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000570511789 568489663 /nfs/dbraw/zinc/48/96/63/568489663.db2.gz DBUUFTUESVMAKA-MRXNPFEDSA-N 1 2 355.460 2.118 20 5 FEBDLO C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000737515496 600498327 /nfs/dbraw/zinc/49/83/27/600498327.db2.gz WPEJEDOWQPSANJ-UJAVWCLSSA-N 1 2 374.441 2.273 20 5 FEBDLO C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000737515496 600498329 /nfs/dbraw/zinc/49/83/29/600498329.db2.gz WPEJEDOWQPSANJ-UJAVWCLSSA-N 1 2 374.441 2.273 20 5 FEBDLO CCCCCC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000071809308 670494388 /nfs/dbraw/zinc/49/43/88/670494388.db2.gz DHYWQTPFZLHYKS-UHFFFAOYSA-N 1 2 355.460 2.481 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000101570733 670768297 /nfs/dbraw/zinc/76/82/97/670768297.db2.gz MZGUFDQEGOFCER-UHFFFAOYSA-N 1 2 373.862 2.497 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2nc(C3CC3)cs2)cc1 ZINC000576390393 671365243 /nfs/dbraw/zinc/36/52/43/671365243.db2.gz HURXBKCFNFQZAZ-UHFFFAOYSA-N 1 2 367.452 2.492 20 5 FEBDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000122458891 671966905 /nfs/dbraw/zinc/96/69/05/671966905.db2.gz JTTCQAVPCBCHPX-STQMWFEESA-N 1 2 353.423 2.374 20 5 FEBDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000122458891 671966908 /nfs/dbraw/zinc/96/69/08/671966908.db2.gz JTTCQAVPCBCHPX-STQMWFEESA-N 1 2 353.423 2.374 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000582544106 672011409 /nfs/dbraw/zinc/01/14/09/672011409.db2.gz SAZDWPRSPZIKDB-GXTWGEPZSA-N 1 2 351.403 2.430 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000582544106 672011414 /nfs/dbraw/zinc/01/14/14/672011414.db2.gz SAZDWPRSPZIKDB-GXTWGEPZSA-N 1 2 351.403 2.430 20 5 FEBDLO C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000590680667 672600902 /nfs/dbraw/zinc/60/09/02/672600902.db2.gz RUJKBSZVOYOCIJ-NOZJJQNGSA-N 1 2 361.320 2.063 20 5 FEBDLO C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000590680667 672600904 /nfs/dbraw/zinc/60/09/04/672600904.db2.gz RUJKBSZVOYOCIJ-NOZJJQNGSA-N 1 2 361.320 2.063 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000593009709 672863104 /nfs/dbraw/zinc/86/31/04/672863104.db2.gz DHPFBTMDIRQFHS-STQMWFEESA-N 1 2 362.304 2.269 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000593009709 672863110 /nfs/dbraw/zinc/86/31/10/672863110.db2.gz DHPFBTMDIRQFHS-STQMWFEESA-N 1 2 362.304 2.269 20 5 FEBDLO COc1cc([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])ccc1OCCO ZINC000595413469 673246464 /nfs/dbraw/zinc/24/64/64/673246464.db2.gz CHBFSXRFBBFGSE-SNVBAGLBSA-N 1 2 351.359 2.122 20 5 FEBDLO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000595474976 673255935 /nfs/dbraw/zinc/25/59/35/673255935.db2.gz HSLHYMABIUKOCW-UHFFFAOYSA-N 1 2 371.434 2.124 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597710560 673501481 /nfs/dbraw/zinc/50/14/81/673501481.db2.gz VNKLETBYOOSYRQ-HNNXBMFYSA-N 1 2 367.833 2.114 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597993546 673527433 /nfs/dbraw/zinc/52/74/33/673527433.db2.gz GYBHYEPTVMXZRV-NWDGAFQWSA-N 1 2 355.822 2.396 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597993546 673527434 /nfs/dbraw/zinc/52/74/34/673527434.db2.gz GYBHYEPTVMXZRV-NWDGAFQWSA-N 1 2 355.822 2.396 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000597993547 673527811 /nfs/dbraw/zinc/52/78/11/673527811.db2.gz GYBHYEPTVMXZRV-RYUDHWBXSA-N 1 2 355.822 2.396 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000597993547 673527815 /nfs/dbraw/zinc/52/78/15/673527815.db2.gz GYBHYEPTVMXZRV-RYUDHWBXSA-N 1 2 355.822 2.396 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000598597010 673587480 /nfs/dbraw/zinc/58/74/80/673587480.db2.gz CBRXDTBWGBKFLD-UHFFFAOYSA-N 1 2 355.460 2.174 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599163659 673637773 /nfs/dbraw/zinc/63/77/73/673637773.db2.gz GNYGOZCEERFKIM-AWEZNQCLSA-N 1 2 353.444 2.427 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599163659 673637774 /nfs/dbraw/zinc/63/77/74/673637774.db2.gz GNYGOZCEERFKIM-AWEZNQCLSA-N 1 2 353.444 2.427 20 5 FEBDLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000741146716 673673112 /nfs/dbraw/zinc/67/31/12/673673112.db2.gz PHRDJDYUVABYQX-LBPRGKRZSA-N 1 2 355.778 2.214 20 5 FEBDLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000741146716 673673114 /nfs/dbraw/zinc/67/31/14/673673114.db2.gz PHRDJDYUVABYQX-LBPRGKRZSA-N 1 2 355.778 2.214 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])s1 ZINC000601336868 673844342 /nfs/dbraw/zinc/84/43/42/673844342.db2.gz ONAXFXBPINSQOS-LLVKDONJSA-N 1 2 356.429 2.187 20 5 FEBDLO CO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000823326421 675544886 /nfs/dbraw/zinc/54/48/86/675544886.db2.gz CQSAPYRKNRAWDX-LBPRGKRZSA-N 1 2 358.276 2.088 20 5 FEBDLO CO[C@]1(CO)CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000826951702 675718114 /nfs/dbraw/zinc/71/81/14/675718114.db2.gz BTVCAOLHHFMIIX-CQSZACIVSA-N 1 2 359.220 2.331 20 5 FEBDLO CO[C@]1(CO)CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000826951702 675718115 /nfs/dbraw/zinc/71/81/15/675718115.db2.gz BTVCAOLHHFMIIX-CQSZACIVSA-N 1 2 359.220 2.331 20 5 FEBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000828933435 675853278 /nfs/dbraw/zinc/85/32/78/675853278.db2.gz MSOSMKTVCLIITQ-LBPRGKRZSA-N 1 2 353.444 2.157 20 5 FEBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000828933435 675853280 /nfs/dbraw/zinc/85/32/80/675853280.db2.gz MSOSMKTVCLIITQ-LBPRGKRZSA-N 1 2 353.444 2.157 20 5 FEBDLO CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000839719349 680774367 /nfs/dbraw/zinc/77/43/67/680774367.db2.gz PMRBNIFFGAUFIW-QZKOUSHUSA-N 1 2 355.797 2.396 20 5 FEBDLO CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000839719349 680774368 /nfs/dbraw/zinc/77/43/68/680774368.db2.gz PMRBNIFFGAUFIW-QZKOUSHUSA-N 1 2 355.797 2.396 20 5 FEBDLO C[C@@H]1CC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000840051953 680795338 /nfs/dbraw/zinc/79/53/38/680795338.db2.gz APKPEQZWVDHLPV-WBMJQRKESA-N 1 2 351.428 2.317 20 5 FEBDLO C[C@@H]1CC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000840051953 680795340 /nfs/dbraw/zinc/79/53/40/680795340.db2.gz APKPEQZWVDHLPV-WBMJQRKESA-N 1 2 351.428 2.317 20 5 FEBDLO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(Cl)c1 ZINC001017543358 680076927 /nfs/dbraw/zinc/07/69/27/680076927.db2.gz ABEHCYIMKWFTCQ-JYYAWHABSA-N 1 2 363.845 2.489 20 5 FEBDLO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(Cl)c1 ZINC001017543358 680076929 /nfs/dbraw/zinc/07/69/29/680076929.db2.gz ABEHCYIMKWFTCQ-JYYAWHABSA-N 1 2 363.845 2.489 20 5 FEBDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000832523698 680143605 /nfs/dbraw/zinc/14/36/05/680143605.db2.gz HOUGGUHJXUQVKN-LLVKDONJSA-N 1 2 361.851 2.353 20 5 FEBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc(Cl)c(Cl)c3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025777718 680337175 /nfs/dbraw/zinc/33/71/75/680337175.db2.gz OAFZQKRETOIQCD-ZNLHFFCSSA-N 1 2 370.236 2.205 20 5 FEBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(Cl)c(Cl)c3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025777718 680337177 /nfs/dbraw/zinc/33/71/77/680337177.db2.gz OAFZQKRETOIQCD-ZNLHFFCSSA-N 1 2 370.236 2.205 20 5 FEBDLO O=C(NCC1=CC[N@H+](Cc2cccc(Cl)c2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000670718 680436905 /nfs/dbraw/zinc/43/69/05/680436905.db2.gz RURVMKWQOJNBQI-UKRRQHHQSA-N 1 2 367.808 2.393 20 5 FEBDLO O=C(NCC1=CC[N@@H+](Cc2cccc(Cl)c2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000670718 680436906 /nfs/dbraw/zinc/43/69/06/680436906.db2.gz RURVMKWQOJNBQI-UKRRQHHQSA-N 1 2 367.808 2.393 20 5 FEBDLO Cc1cnc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)s1 ZINC001034816037 680440081 /nfs/dbraw/zinc/44/00/81/680440081.db2.gz IZTKTAHYAUSWTA-HUUCEWRRSA-N 1 2 360.439 2.023 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(C[NH+](CC)CC)cs2)n1 ZINC000756810991 680499537 /nfs/dbraw/zinc/49/95/37/680499537.db2.gz AXEQZSCXNULZCK-UHFFFAOYSA-N 1 2 352.420 2.362 20 5 FEBDLO COc1ccc(Cl)cc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002789262 680508271 /nfs/dbraw/zinc/50/82/71/680508271.db2.gz UNLKVVFPQQXWPS-HUUCEWRRSA-N 1 2 367.833 2.094 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1Cl ZINC000836786733 680513874 /nfs/dbraw/zinc/51/38/74/680513874.db2.gz FMVYCXNECHJMNF-STQMWFEESA-N 1 2 367.833 2.492 20 5 FEBDLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1Br ZINC000842045711 680923304 /nfs/dbraw/zinc/92/33/04/680923304.db2.gz HAPVKNNNARRVGZ-QWRGUYRKSA-N 1 2 358.236 2.249 20 5 FEBDLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1Br ZINC000842045711 680923305 /nfs/dbraw/zinc/92/33/05/680923305.db2.gz HAPVKNNNARRVGZ-QWRGUYRKSA-N 1 2 358.236 2.249 20 5 FEBDLO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000772312904 681092487 /nfs/dbraw/zinc/09/24/87/681092487.db2.gz KDIYAAVHUPTKKY-QWHCGFSZSA-N 1 2 353.423 2.121 20 5 FEBDLO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000772312904 681092488 /nfs/dbraw/zinc/09/24/88/681092488.db2.gz KDIYAAVHUPTKKY-QWHCGFSZSA-N 1 2 353.423 2.121 20 5 FEBDLO C[C@@H](CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)n1cc[nH+]c1 ZINC000845279622 681115696 /nfs/dbraw/zinc/11/56/96/681115696.db2.gz WYUWRFXDXWMZCJ-JTQLQIEISA-N 1 2 350.306 2.063 20 5 FEBDLO Cc1nc(CN2CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000776576002 681409785 /nfs/dbraw/zinc/40/97/85/681409785.db2.gz ZAHPRBQQAMRNGS-QGZVFWFLSA-N 1 2 362.455 2.211 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000933657860 681446663 /nfs/dbraw/zinc/44/66/63/681446663.db2.gz BNNVWXIBLJHAHT-CQSZACIVSA-N 1 2 365.455 2.254 20 5 FEBDLO C[C@@H](COC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000847962549 681456835 /nfs/dbraw/zinc/45/68/35/681456835.db2.gz HPNYELVPXLSLAR-LBPRGKRZSA-N 1 2 370.427 2.030 20 5 FEBDLO Cc1nn(C[NH+]2CCC(n3cc(Br)cn3)CC2)cc1[N+](=O)[O-] ZINC000779861192 681761178 /nfs/dbraw/zinc/76/11/78/681761178.db2.gz PXLXSVBUFUCGSU-UHFFFAOYSA-N 1 2 369.223 2.353 20 5 FEBDLO Cn1ncc(Cl)c1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000851035257 682003578 /nfs/dbraw/zinc/00/35/78/682003578.db2.gz GUBSGGAHEGQJLZ-ZDUSSCGKSA-N 1 2 364.789 2.413 20 5 FEBDLO Cn1ncc(Cl)c1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000851035257 682003581 /nfs/dbraw/zinc/00/35/81/682003581.db2.gz GUBSGGAHEGQJLZ-ZDUSSCGKSA-N 1 2 364.789 2.413 20 5 FEBDLO C[C@@H](NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000917015181 685529102 /nfs/dbraw/zinc/52/91/02/685529102.db2.gz FKCHGUQYWRXQEX-MGPQQGTHSA-N 1 2 350.419 2.064 20 5 FEBDLO Cc1nn(C)c(Cl)c1C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000788005181 682496323 /nfs/dbraw/zinc/49/63/23/682496323.db2.gz AUMPBTDWXRVAPW-CYBMUJFWSA-N 1 2 368.821 2.162 20 5 FEBDLO Cc1nn(C)c(Cl)c1C[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000788005181 682496326 /nfs/dbraw/zinc/49/63/26/682496326.db2.gz AUMPBTDWXRVAPW-CYBMUJFWSA-N 1 2 368.821 2.162 20 5 FEBDLO C[C@H](NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000854097243 682512808 /nfs/dbraw/zinc/51/28/08/682512808.db2.gz GHTYSUQMYYGUTK-IHRRRGAJSA-N 1 2 350.419 2.064 20 5 FEBDLO C[C@H](NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000854097243 682512812 /nfs/dbraw/zinc/51/28/12/682512812.db2.gz GHTYSUQMYYGUTK-IHRRRGAJSA-N 1 2 350.419 2.064 20 5 FEBDLO CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1C[N@H+](Cn1nccc1[N+](=O)[O-])C2 ZINC000857239137 682867708 /nfs/dbraw/zinc/86/77/08/682867708.db2.gz BKBLBFXGBFKDFI-BLLLJJGKSA-N 1 2 351.407 2.128 20 5 FEBDLO CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1C[N@@H+](Cn1nccc1[N+](=O)[O-])C2 ZINC000857239137 682867714 /nfs/dbraw/zinc/86/77/14/682867714.db2.gz BKBLBFXGBFKDFI-BLLLJJGKSA-N 1 2 351.407 2.128 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000795128404 683020943 /nfs/dbraw/zinc/02/09/43/683020943.db2.gz DVSNJDOLVXZIHA-WFASDCNBSA-N 1 2 350.444 2.087 20 5 FEBDLO CO[C@@]1(CO)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930965868 683811893 /nfs/dbraw/zinc/81/18/93/683811893.db2.gz WNXWXYVHUPBHID-AWEZNQCLSA-N 1 2 359.220 2.331 20 5 FEBDLO CO[C@@]1(CO)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930965868 683811900 /nfs/dbraw/zinc/81/19/00/683811900.db2.gz WNXWXYVHUPBHID-AWEZNQCLSA-N 1 2 359.220 2.331 20 5 FEBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000931297936 684257447 /nfs/dbraw/zinc/25/74/47/684257447.db2.gz SMVONNVXANBGRW-LLVKDONJSA-N 1 2 356.810 2.481 20 5 FEBDLO O=C(/C=C\C[NH+]1CCOCC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000868149236 684457761 /nfs/dbraw/zinc/45/77/61/684457761.db2.gz YGLDQPDQPRCQCY-UPHRSURJSA-N 1 2 370.203 2.184 20 5 FEBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000875459193 686016378 /nfs/dbraw/zinc/01/63/78/686016378.db2.gz SOWFDMGAUXDSSO-UONOGXRCSA-N 1 2 350.419 2.066 20 5 FEBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000875459193 686016386 /nfs/dbraw/zinc/01/63/86/686016386.db2.gz SOWFDMGAUXDSSO-UONOGXRCSA-N 1 2 350.419 2.066 20 5 FEBDLO NC(=O)[C@@H](F)C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000879045289 686724017 /nfs/dbraw/zinc/72/40/17/686724017.db2.gz XTGMBQHIBJWCRY-ZDUSSCGKSA-N 1 2 374.210 2.393 20 5 FEBDLO NC(=O)c1ccc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000015143270 539612904 /nfs/dbraw/zinc/61/29/04/539612904.db2.gz CCDYCKQBLFRDOD-QGZVFWFLSA-N 1 2 370.409 2.179 20 5 FEBDLO Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000025289765 539753696 /nfs/dbraw/zinc/75/36/96/539753696.db2.gz DOADKJZUGPEKAE-UHFFFAOYSA-N 1 2 356.382 2.065 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000029085901 539842189 /nfs/dbraw/zinc/84/21/89/539842189.db2.gz FIFXBLGEYSVRLY-IBGZPJMESA-N 1 2 369.421 2.327 20 5 FEBDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000042098032 540051039 /nfs/dbraw/zinc/05/10/39/540051039.db2.gz YJVWXBYFDGJOEO-CQSZACIVSA-N 1 2 364.421 2.257 20 5 FEBDLO Cn1cc[nH+]c1[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000043269374 540094829 /nfs/dbraw/zinc/09/48/29/540094829.db2.gz JHCLNJSXLUNODJ-OAHLLOKOSA-N 1 2 374.788 2.084 20 5 FEBDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000047123310 540291344 /nfs/dbraw/zinc/29/13/44/540291344.db2.gz WBMKMEWQXXRSPA-UHFFFAOYSA-N 1 2 371.353 2.297 20 5 FEBDLO CC[N@H+](CC(=O)N(C)C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000051791989 540444427 /nfs/dbraw/zinc/44/44/27/540444427.db2.gz SMHSLUZQPWMVLT-UHFFFAOYSA-N 1 2 361.345 2.115 20 5 FEBDLO CC[N@@H+](CC(=O)N(C)C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000051791989 540444430 /nfs/dbraw/zinc/44/44/30/540444430.db2.gz SMHSLUZQPWMVLT-UHFFFAOYSA-N 1 2 361.345 2.115 20 5 FEBDLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000056965728 540758548 /nfs/dbraw/zinc/75/85/48/540758548.db2.gz PPHUHLWCMUWYPY-UHFFFAOYSA-N 1 2 372.400 2.286 20 5 FEBDLO CC(=O)N1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000057138602 540771474 /nfs/dbraw/zinc/77/14/74/540771474.db2.gz SPCZSQSVTNZHGK-UHFFFAOYSA-N 1 2 360.336 2.190 20 5 FEBDLO O=C(COc1ccc([N+](=O)[O-])cc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000060426339 541111664 /nfs/dbraw/zinc/11/16/64/541111664.db2.gz RWVMBDYJGUTBIP-UHFFFAOYSA-N 1 2 356.382 2.154 20 5 FEBDLO CCN(CC)c1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000060757172 541121344 /nfs/dbraw/zinc/12/13/44/541121344.db2.gz VQJFALRPKUMPRI-UHFFFAOYSA-N 1 2 364.427 2.315 20 5 FEBDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3ccc([N+](=O)[O-])s3)cn2c1 ZINC000066001418 541277458 /nfs/dbraw/zinc/27/74/58/541277458.db2.gz JPTMTNSJIKVAOD-UHFFFAOYSA-N 1 2 352.397 2.091 20 5 FEBDLO C[C@H]1CCC[C@H](NC(=O)CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000066566672 541337751 /nfs/dbraw/zinc/33/77/51/541337751.db2.gz JEIKUENFPKKRTG-WMZOPIPTSA-N 1 2 374.485 2.407 20 5 FEBDLO Cc1ccc2[nH+]c(CNC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)cn2c1 ZINC000066631005 541350984 /nfs/dbraw/zinc/35/09/84/541350984.db2.gz UPJRFJMIPPPGBF-UHFFFAOYSA-N 1 2 368.349 2.252 20 5 FEBDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000068919030 541640641 /nfs/dbraw/zinc/64/06/41/541640641.db2.gz WKUORDTYGIFVFP-MRXNPFEDSA-N 1 2 373.384 2.365 20 5 FEBDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000068919030 541640644 /nfs/dbraw/zinc/64/06/44/541640644.db2.gz WKUORDTYGIFVFP-MRXNPFEDSA-N 1 2 373.384 2.365 20 5 FEBDLO COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)[NH+](C)C)c1 ZINC000070880976 541748479 /nfs/dbraw/zinc/74/84/79/541748479.db2.gz KNFFQAVDONVOTC-MRXNPFEDSA-N 1 2 359.382 2.342 20 5 FEBDLO CNC(=O)c1cccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000072957125 541897074 /nfs/dbraw/zinc/89/70/74/541897074.db2.gz CSVTVDIRZOINKF-UHFFFAOYSA-N 1 2 354.410 2.277 20 5 FEBDLO O=C(C[NH+]1CCC(c2nnc[nH]2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000083444146 542697331 /nfs/dbraw/zinc/69/73/31/542697331.db2.gz USGAVAPRXYBSTH-UHFFFAOYSA-N 1 2 364.793 2.184 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(c3nc[nH]n3)CC2)cccc1[N+](=O)[O-] ZINC000083444045 542697859 /nfs/dbraw/zinc/69/78/59/542697859.db2.gz SGRVMWKVNMHBAT-GFCCVEGCSA-N 1 2 358.402 2.228 20 5 FEBDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000088594631 542753906 /nfs/dbraw/zinc/75/39/06/542753906.db2.gz ITPCDTFHLYOFQH-HOTGVXAUSA-N 1 2 360.458 2.284 20 5 FEBDLO C[C@@H](C(=O)N1CCCC1)N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000088594631 542753908 /nfs/dbraw/zinc/75/39/08/542753908.db2.gz ITPCDTFHLYOFQH-HOTGVXAUSA-N 1 2 360.458 2.284 20 5 FEBDLO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1cnn(C)c1 ZINC000103474683 543109224 /nfs/dbraw/zinc/10/92/24/543109224.db2.gz WOSSBHHIXOSPEZ-UHFFFAOYSA-N 1 2 351.794 2.442 20 5 FEBDLO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1cnn(C)c1 ZINC000103474683 543109225 /nfs/dbraw/zinc/10/92/25/543109225.db2.gz WOSSBHHIXOSPEZ-UHFFFAOYSA-N 1 2 351.794 2.442 20 5 FEBDLO O=C1CCCN1C1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000104730045 543140055 /nfs/dbraw/zinc/14/00/55/543140055.db2.gz KBYWZHHMZGOTBI-UHFFFAOYSA-N 1 2 371.397 2.232 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000106148745 543208885 /nfs/dbraw/zinc/20/88/85/543208885.db2.gz HQUUXOKBMADWPI-UHFFFAOYSA-N 1 2 361.402 2.003 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000106148745 543208887 /nfs/dbraw/zinc/20/88/87/543208887.db2.gz HQUUXOKBMADWPI-UHFFFAOYSA-N 1 2 361.402 2.003 20 5 FEBDLO C[C@H]1CN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])s3)c[nH+]2)CCO1 ZINC000107584524 543273044 /nfs/dbraw/zinc/27/30/44/543273044.db2.gz PMYFDEDPDZIRRS-NSHDSACASA-N 1 2 362.411 2.206 20 5 FEBDLO COC(=O)[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000119371405 543667099 /nfs/dbraw/zinc/66/70/99/543667099.db2.gz PRIABZFFGOXZAD-AWEZNQCLSA-N 1 2 365.386 2.070 20 5 FEBDLO COc1cc(OCC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000123304090 543753910 /nfs/dbraw/zinc/75/39/10/543753910.db2.gz LUEJJNOTEQSYFG-BBRMVZONSA-N 1 2 374.397 2.288 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000125307092 543873772 /nfs/dbraw/zinc/87/37/72/543873772.db2.gz KZWQTJDWFLGZBF-HNNXBMFYSA-N 1 2 369.425 2.135 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(C[C@H]1CCOC1)C1CC1 ZINC000128625281 544063130 /nfs/dbraw/zinc/06/31/30/544063130.db2.gz FZJGHSCQGWRCPT-CYBMUJFWSA-N 1 2 356.382 2.422 20 5 FEBDLO COC(=O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129119598 544091984 /nfs/dbraw/zinc/09/19/84/544091984.db2.gz LDRLZIUFAFMAHT-CQSZACIVSA-N 1 2 353.350 2.090 20 5 FEBDLO COC(=O)[C@H]1CCCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129119598 544091988 /nfs/dbraw/zinc/09/19/88/544091988.db2.gz LDRLZIUFAFMAHT-CQSZACIVSA-N 1 2 353.350 2.090 20 5 FEBDLO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH+](Cc2ccncc2)CC1 ZINC000129916605 544131876 /nfs/dbraw/zinc/13/18/76/544131876.db2.gz GDAGIYCCVMLPRY-UHFFFAOYSA-N 1 2 365.393 2.429 20 5 FEBDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)S1 ZINC000137259584 544388006 /nfs/dbraw/zinc/38/80/06/544388006.db2.gz DPXQQRCJVAOBIO-SNVBAGLBSA-N 1 2 368.846 2.497 20 5 FEBDLO CN(C)c1ccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c[nH+]1 ZINC000146736944 544441046 /nfs/dbraw/zinc/44/10/46/544441046.db2.gz QBICGAAUWZLOFB-UHFFFAOYSA-N 1 2 370.818 2.188 20 5 FEBDLO COC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)(C)C ZINC000152509433 544662661 /nfs/dbraw/zinc/66/26/61/544662661.db2.gz XJTLAAVPHIYMHR-OAHLLOKOSA-N 1 2 351.403 2.409 20 5 FEBDLO COCc1ccccc1CNC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153017827 544723362 /nfs/dbraw/zinc/72/33/62/544723362.db2.gz FJTDYVNDSAMPFL-UHFFFAOYSA-N 1 2 369.421 2.416 20 5 FEBDLO COCc1ccccc1CNC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153017827 544723367 /nfs/dbraw/zinc/72/33/67/544723367.db2.gz FJTDYVNDSAMPFL-UHFFFAOYSA-N 1 2 369.421 2.416 20 5 FEBDLO Nc1c(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc(F)cc1[N+](=O)[O-] ZINC000153232352 544749943 /nfs/dbraw/zinc/74/99/43/544749943.db2.gz IEESSRTVOYTMBR-UHFFFAOYSA-N 1 2 374.372 2.401 20 5 FEBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CCc2c[nH+]cn2C1 ZINC000804334983 674280843 /nfs/dbraw/zinc/28/08/43/674280843.db2.gz OSHXKRWACDFPMB-JTQLQIEISA-N 1 2 352.753 2.258 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@](CC)(CO)C2)c([N+](=O)[O-])c1 ZINC000187597762 328035004 /nfs/dbraw/zinc/03/50/04/328035004.db2.gz BRROILQVQJERNP-GOSISDBHSA-N 1 2 365.430 2.417 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@](CC)(CO)C2)c([N+](=O)[O-])c1 ZINC000187597762 328035005 /nfs/dbraw/zinc/03/50/05/328035005.db2.gz BRROILQVQJERNP-GOSISDBHSA-N 1 2 365.430 2.417 20 5 FEBDLO CCN1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000190189113 328193445 /nfs/dbraw/zinc/19/34/45/328193445.db2.gz YWQZLTIPNBMGGF-LBPRGKRZSA-N 1 2 359.386 2.260 20 5 FEBDLO CCN1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000190189113 328193446 /nfs/dbraw/zinc/19/34/46/328193446.db2.gz YWQZLTIPNBMGGF-LBPRGKRZSA-N 1 2 359.386 2.260 20 5 FEBDLO CCOC1CC(CNc2cccc(OC)c2[N+](=O)[O-])([NH+]2CCOCC2)C1 ZINC000195315498 328470798 /nfs/dbraw/zinc/47/07/98/328470798.db2.gz GYEKSLPAPCCDQM-UHFFFAOYSA-N 1 2 365.430 2.285 20 5 FEBDLO C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743350 324643094 /nfs/dbraw/zinc/64/30/94/324643094.db2.gz XILXDOKCPAQHCB-MAUKXSAKSA-N 1 2 360.458 2.412 20 5 FEBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000080910367 325147710 /nfs/dbraw/zinc/14/77/10/325147710.db2.gz NFHVKWPAQMGWPX-MRXNPFEDSA-N 1 2 374.441 2.106 20 5 FEBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000080944072 325149324 /nfs/dbraw/zinc/14/93/24/325149324.db2.gz QRLXSERLBYIQTL-ZDUSSCGKSA-N 1 2 353.806 2.185 20 5 FEBDLO O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531568 325321269 /nfs/dbraw/zinc/32/12/69/325321269.db2.gz OPMUDLYYZZVZIQ-UHFFFAOYSA-N 1 2 370.409 2.451 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089970116 325346625 /nfs/dbraw/zinc/34/66/25/325346625.db2.gz SWEUFRPLCYTURH-SNVBAGLBSA-N 1 2 361.320 2.311 20 5 FEBDLO O=[N+]([O-])c1cc(C[NH+]2CCN(c3cccc(O)c3)CC2)c2c(c1)COCO2 ZINC000120880450 326295640 /nfs/dbraw/zinc/29/56/40/326295640.db2.gz UAVQZIOECQXJKC-UHFFFAOYSA-N 1 2 371.393 2.489 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000121601597 326350915 /nfs/dbraw/zinc/35/09/15/326350915.db2.gz KLFKHOSNOQFYDT-UHFFFAOYSA-N 1 2 373.413 2.319 20 5 FEBDLO Cc1cc(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)cc([N+](=O)[O-])c1 ZINC000122043610 326381636 /nfs/dbraw/zinc/38/16/36/326381636.db2.gz WMNCMDQPZHAFJD-AWEZNQCLSA-N 1 2 370.409 2.453 20 5 FEBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000123917345 326444614 /nfs/dbraw/zinc/44/46/14/326444614.db2.gz PERGDHHTJIERGI-UHFFFAOYSA-N 1 2 358.402 2.092 20 5 FEBDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000129082776 326534495 /nfs/dbraw/zinc/53/44/95/326534495.db2.gz JKJWKOUQUDCHSU-IQIBNGDESA-N 1 2 360.458 2.140 20 5 FEBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000150693704 326666150 /nfs/dbraw/zinc/66/61/50/326666150.db2.gz KLQVMCGXLPPVFR-UHFFFAOYSA-N 1 2 367.369 2.451 20 5 FEBDLO O=[N+]([O-])c1cncc(Br)c1N1CC[NH+](C2CCOCC2)CC1 ZINC000161699878 327006667 /nfs/dbraw/zinc/00/66/67/327006667.db2.gz XLFKUFCRNKHUKM-UHFFFAOYSA-N 1 2 371.235 2.053 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCS[C@@H]2COCC[C@@H]21 ZINC000162493256 327026983 /nfs/dbraw/zinc/02/69/83/327026983.db2.gz SQSWVQBGHJMPCG-GOEBONIOSA-N 1 2 374.422 2.127 20 5 FEBDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172360404 327197821 /nfs/dbraw/zinc/19/78/21/327197821.db2.gz VKYFYASGFBLAPI-AWEZNQCLSA-N 1 2 361.423 2.403 20 5 FEBDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172360404 327197822 /nfs/dbraw/zinc/19/78/22/327197822.db2.gz VKYFYASGFBLAPI-AWEZNQCLSA-N 1 2 361.423 2.403 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000172611850 327211579 /nfs/dbraw/zinc/21/15/79/327211579.db2.gz ABMIWCOEZNRRHJ-LBPRGKRZSA-N 1 2 354.370 2.235 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247794994 328701686 /nfs/dbraw/zinc/70/16/86/328701686.db2.gz ZNDNOYAGPBTSTH-DOMZBBRYSA-N 1 2 364.427 2.372 20 5 FEBDLO CC(C)NC(=O)c1ccc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000264270393 329006467 /nfs/dbraw/zinc/00/64/67/329006467.db2.gz NPRRUFAVGBZOJI-KBPBESRZSA-N 1 2 364.446 2.254 20 5 FEBDLO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2[nH+]ccn2C)CC1 ZINC000264317192 329009600 /nfs/dbraw/zinc/00/96/00/329009600.db2.gz PHBCVBLDQZTKCV-UHFFFAOYSA-N 1 2 357.414 2.495 20 5 FEBDLO CC(C)([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1nccs1 ZINC000266730969 329253891 /nfs/dbraw/zinc/25/38/91/329253891.db2.gz KXIOBVSMIAFVSE-UHFFFAOYSA-N 1 2 364.383 2.243 20 5 FEBDLO COc1cc(C(=O)NCc2[nH]c[nH+]c2C)c([N+](=O)[O-])cc1OC(F)F ZINC000267192047 329300941 /nfs/dbraw/zinc/30/09/41/329300941.db2.gz KGVFVQSYLOFXKR-UHFFFAOYSA-N 1 2 356.285 2.166 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000268065233 329381841 /nfs/dbraw/zinc/38/18/41/329381841.db2.gz PBRBXOXUNYCVGX-GFCCVEGCSA-N 1 2 350.400 2.195 20 5 FEBDLO O=C(c1ccsc1)N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269680458 329539645 /nfs/dbraw/zinc/53/96/45/329539645.db2.gz QZETZCUEIOOYPK-INIZCTEOSA-N 1 2 361.423 2.148 20 5 FEBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000271161359 329668228 /nfs/dbraw/zinc/66/82/28/329668228.db2.gz ZMKLUBKWHHRBKO-CQSZACIVSA-N 1 2 364.427 2.070 20 5 FEBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](Cc2ccccn2)CC1 ZINC000273352649 329857932 /nfs/dbraw/zinc/85/79/32/329857932.db2.gz CWEOPFUNKVQWRX-UHFFFAOYSA-N 1 2 359.361 2.479 20 5 FEBDLO C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000273929395 329903393 /nfs/dbraw/zinc/90/33/93/329903393.db2.gz HOUBCTGNDYWQMX-OLZOCXBDSA-N 1 2 367.421 2.237 20 5 FEBDLO CCOC(=O)c1nn(C)cc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000274489496 329954008 /nfs/dbraw/zinc/95/40/08/329954008.db2.gz OOLNLLIZJWMMAD-UHFFFAOYSA-N 1 2 352.778 2.448 20 5 FEBDLO Cc1ccc([C@@H]2C[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000158842266 545900134 /nfs/dbraw/zinc/90/01/34/545900134.db2.gz JSYZJGLNLKXWIR-YJBOKZPZSA-N 1 2 362.382 2.309 20 5 FEBDLO Cc1ccc([C@@H]2C[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000158842266 545900138 /nfs/dbraw/zinc/90/01/38/545900138.db2.gz JSYZJGLNLKXWIR-YJBOKZPZSA-N 1 2 362.382 2.309 20 5 FEBDLO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159778212 545979108 /nfs/dbraw/zinc/97/91/08/545979108.db2.gz HFQCTZWXPUGBOD-UHFFFAOYSA-N 1 2 355.398 2.017 20 5 FEBDLO Cc1c(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000480054692 561202072 /nfs/dbraw/zinc/20/20/72/561202072.db2.gz CZEZCRLLDCFMMV-UHFFFAOYSA-N 1 2 355.398 2.330 20 5 FEBDLO CCOC(=O)c1cc(N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000480712740 561215120 /nfs/dbraw/zinc/21/51/20/561215120.db2.gz TTXYFCGOADNGBG-MRXNPFEDSA-N 1 2 373.413 2.378 20 5 FEBDLO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OCC)[C@H]1CCS(=O)(=O)C1 ZINC000177651527 546661121 /nfs/dbraw/zinc/66/11/21/546661121.db2.gz JMUSKXDFNKVYGG-HNNXBMFYSA-N 1 2 356.444 2.393 20 5 FEBDLO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OCC)[C@H]1CCS(=O)(=O)C1 ZINC000177651527 546661124 /nfs/dbraw/zinc/66/11/24/546661124.db2.gz JMUSKXDFNKVYGG-HNNXBMFYSA-N 1 2 356.444 2.393 20 5 FEBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000180784416 547179818 /nfs/dbraw/zinc/17/98/18/547179818.db2.gz RXFKDHPBGXCSFO-ZDUSSCGKSA-N 1 2 355.398 2.091 20 5 FEBDLO CCOC(=O)C[C@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000181763568 547377085 /nfs/dbraw/zinc/37/70/85/547377085.db2.gz SKWABOGQKLEGIZ-LBPRGKRZSA-N 1 2 360.370 2.194 20 5 FEBDLO CNC(=O)[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000182441951 547494566 /nfs/dbraw/zinc/49/45/66/547494566.db2.gz IDRHTEVPMMPMJQ-OAHLLOKOSA-N 1 2 361.423 2.270 20 5 FEBDLO CNC(=O)[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000182441951 547494568 /nfs/dbraw/zinc/49/45/68/547494568.db2.gz IDRHTEVPMMPMJQ-OAHLLOKOSA-N 1 2 361.423 2.270 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000182674908 547531157 /nfs/dbraw/zinc/53/11/57/547531157.db2.gz LIHRSWKMNUUPHN-CQSZACIVSA-N 1 2 374.401 2.277 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000182674908 547531160 /nfs/dbraw/zinc/53/11/60/547531160.db2.gz LIHRSWKMNUUPHN-CQSZACIVSA-N 1 2 374.401 2.277 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000183265490 547629747 /nfs/dbraw/zinc/62/97/47/547629747.db2.gz UETKQEVLTWMQJK-QGZVFWFLSA-N 1 2 374.485 2.422 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000183265490 547629751 /nfs/dbraw/zinc/62/97/51/547629751.db2.gz UETKQEVLTWMQJK-QGZVFWFLSA-N 1 2 374.485 2.422 20 5 FEBDLO CCCc1n[nH]c(C(=O)N2CCCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000184228047 547791495 /nfs/dbraw/zinc/79/14/95/547791495.db2.gz MCFDWNTZRRYMRA-UHFFFAOYSA-N 1 2 358.402 2.018 20 5 FEBDLO CCCc1[nH]nc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000184228047 547791497 /nfs/dbraw/zinc/79/14/97/547791497.db2.gz MCFDWNTZRRYMRA-UHFFFAOYSA-N 1 2 358.402 2.018 20 5 FEBDLO COC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(C)o1 ZINC000184701271 547867497 /nfs/dbraw/zinc/86/74/97/547867497.db2.gz BNLZOKMXALCILV-HNNXBMFYSA-N 1 2 359.382 2.363 20 5 FEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000184721570 547870700 /nfs/dbraw/zinc/87/07/00/547870700.db2.gz DAERAXPUOPQWIX-MRXNPFEDSA-N 1 2 363.458 2.391 20 5 FEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000184721570 547870701 /nfs/dbraw/zinc/87/07/01/547870701.db2.gz DAERAXPUOPQWIX-MRXNPFEDSA-N 1 2 363.458 2.391 20 5 FEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000184762875 547876054 /nfs/dbraw/zinc/87/60/54/547876054.db2.gz AKNMGWNIUFSICL-ZMSDIMECSA-N 1 2 363.458 2.389 20 5 FEBDLO COc1ccc(CNC(=O)C2CC[NH+](CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000485402488 561318540 /nfs/dbraw/zinc/31/85/40/561318540.db2.gz LTTBVQXJGFJIKT-UHFFFAOYSA-N 1 2 357.357 2.197 20 5 FEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000186860328 548207900 /nfs/dbraw/zinc/20/79/00/548207900.db2.gz ZZGIEYDQLDNFBC-AWEZNQCLSA-N 1 2 371.328 2.087 20 5 FEBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186963154 548228592 /nfs/dbraw/zinc/22/85/92/548228592.db2.gz BUYBAGFERMSYLZ-UHFFFAOYSA-N 1 2 357.370 2.011 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1C ZINC000486636510 561353027 /nfs/dbraw/zinc/35/30/27/561353027.db2.gz CXJNFIFISFEXRR-HNNXBMFYSA-N 1 2 355.460 2.172 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc1C ZINC000486636510 561353028 /nfs/dbraw/zinc/35/30/28/561353028.db2.gz CXJNFIFISFEXRR-HNNXBMFYSA-N 1 2 355.460 2.172 20 5 FEBDLO O=C(Cc1ccccc1)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000195198052 548595578 /nfs/dbraw/zinc/59/55/78/548595578.db2.gz ITEXIHFJVJOQSR-UHFFFAOYSA-N 1 2 369.421 2.361 20 5 FEBDLO O=C(C[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000245600268 548955290 /nfs/dbraw/zinc/95/52/90/548955290.db2.gz ISIPVONNYKKMDB-BBRMVZONSA-N 1 2 372.425 2.009 20 5 FEBDLO O=C(C[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000245600268 548955295 /nfs/dbraw/zinc/95/52/95/548955295.db2.gz ISIPVONNYKKMDB-BBRMVZONSA-N 1 2 372.425 2.009 20 5 FEBDLO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488747024 561395951 /nfs/dbraw/zinc/39/59/51/561395951.db2.gz NSEXCBCFGJSGEX-SRVKXCTJSA-N 1 2 373.500 2.226 20 5 FEBDLO C[C@H]1C[C@@H]1[N@H+]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488747024 561395952 /nfs/dbraw/zinc/39/59/52/561395952.db2.gz NSEXCBCFGJSGEX-SRVKXCTJSA-N 1 2 373.500 2.226 20 5 FEBDLO Cc1nc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nc(N(C)C)[nH+]1 ZINC000489959744 561423272 /nfs/dbraw/zinc/42/32/72/561423272.db2.gz ZCDWCRKNZCYDRU-UHFFFAOYSA-N 1 2 358.402 2.202 20 5 FEBDLO Cc1nc(N(C)C)nc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[nH+]1 ZINC000489959744 561423273 /nfs/dbraw/zinc/42/32/73/561423273.db2.gz ZCDWCRKNZCYDRU-UHFFFAOYSA-N 1 2 358.402 2.202 20 5 FEBDLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000253603831 549698638 /nfs/dbraw/zinc/69/86/38/549698638.db2.gz NMBQYUBSAFPBMV-FRRDWIJNSA-N 1 2 353.444 2.370 20 5 FEBDLO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000253603831 549698641 /nfs/dbraw/zinc/69/86/41/549698641.db2.gz NMBQYUBSAFPBMV-FRRDWIJNSA-N 1 2 353.444 2.370 20 5 FEBDLO CN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492581850 561451876 /nfs/dbraw/zinc/45/18/76/561451876.db2.gz UOHLZTVIHZMEQV-CQSZACIVSA-N 1 2 353.338 2.280 20 5 FEBDLO COc1cc(C[N@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000492682128 561452269 /nfs/dbraw/zinc/45/22/69/561452269.db2.gz KUHWKSJIYMMRDG-GOEBONIOSA-N 1 2 356.444 2.391 20 5 FEBDLO COc1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000492682128 561452270 /nfs/dbraw/zinc/45/22/70/561452270.db2.gz KUHWKSJIYMMRDG-GOEBONIOSA-N 1 2 356.444 2.391 20 5 FEBDLO CC(C)c1n[nH]c(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)c1[N+](=O)[O-] ZINC000269475261 550199667 /nfs/dbraw/zinc/19/96/67/550199667.db2.gz VDKHRWQQRMYESG-UHFFFAOYSA-N 1 2 374.323 2.472 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000274800781 550555584 /nfs/dbraw/zinc/55/55/84/550555584.db2.gz OKCZIBDVGCYVHA-LRDDRELGSA-N 1 2 372.381 2.194 20 5 FEBDLO Cc1c(F)cc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000274869762 550561331 /nfs/dbraw/zinc/56/13/31/550561331.db2.gz LVWNNYWWEMHONJ-NSHDSACASA-N 1 2 368.390 2.334 20 5 FEBDLO CS(=O)(=O)c1ccc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000277546397 550682701 /nfs/dbraw/zinc/68/27/01/550682701.db2.gz XIBKNQMHNRCQLN-ZDUSSCGKSA-N 1 2 353.444 2.427 20 5 FEBDLO CS(=O)(=O)c1ccc(NC[C@@H]2CCCC[N@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000277546397 550682703 /nfs/dbraw/zinc/68/27/03/550682703.db2.gz XIBKNQMHNRCQLN-ZDUSSCGKSA-N 1 2 353.444 2.427 20 5 FEBDLO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000278766666 550819775 /nfs/dbraw/zinc/81/97/75/550819775.db2.gz UHCXRBJRCIYZIX-NSHDSACASA-N 1 2 369.385 2.283 20 5 FEBDLO CCc1cc(N)nc(SCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[nH+]1 ZINC000279017944 550847183 /nfs/dbraw/zinc/84/71/83/550847183.db2.gz BMORGQDFACFTLM-UHFFFAOYSA-N 1 2 359.411 2.211 20 5 FEBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000279253373 550870147 /nfs/dbraw/zinc/87/01/47/550870147.db2.gz AFSSHPUEHOPEQH-ZDUSSCGKSA-N 1 2 356.382 2.397 20 5 FEBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CCO2 ZINC000280526879 551004076 /nfs/dbraw/zinc/00/40/76/551004076.db2.gz SFDMRACZCPJEKY-SJKOYZFVSA-N 1 2 360.370 2.025 20 5 FEBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CCO2 ZINC000280526879 551004078 /nfs/dbraw/zinc/00/40/78/551004078.db2.gz SFDMRACZCPJEKY-SJKOYZFVSA-N 1 2 360.370 2.025 20 5 FEBDLO COc1cccc([C@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000280706314 551023427 /nfs/dbraw/zinc/02/34/27/551023427.db2.gz GCLPAQLKLSTZLC-HNNXBMFYSA-N 1 2 359.382 2.342 20 5 FEBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000280916873 551045477 /nfs/dbraw/zinc/04/54/77/551045477.db2.gz JBEOPABSICJQSR-UHFFFAOYSA-N 1 2 365.430 2.176 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](OC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000281511763 551106930 /nfs/dbraw/zinc/10/69/30/551106930.db2.gz ABMPNNKFTVBXMR-STQMWFEESA-N 1 2 351.403 2.431 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](OC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000281511763 551106932 /nfs/dbraw/zinc/10/69/32/551106932.db2.gz ABMPNNKFTVBXMR-STQMWFEESA-N 1 2 351.403 2.431 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](OC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000281511755 551107022 /nfs/dbraw/zinc/10/70/22/551107022.db2.gz ABMPNNKFTVBXMR-OLZOCXBDSA-N 1 2 351.403 2.431 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](OC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000281511755 551107024 /nfs/dbraw/zinc/10/70/24/551107024.db2.gz ABMPNNKFTVBXMR-OLZOCXBDSA-N 1 2 351.403 2.431 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000497525787 561503266 /nfs/dbraw/zinc/50/32/66/561503266.db2.gz UZICZZHMBWNNDB-KBPBESRZSA-N 1 2 365.821 2.466 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000497525787 561503267 /nfs/dbraw/zinc/50/32/67/561503267.db2.gz UZICZZHMBWNNDB-KBPBESRZSA-N 1 2 365.821 2.466 20 5 FEBDLO CN(C)c1ccc(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])c[nH+]1 ZINC000497554927 561503748 /nfs/dbraw/zinc/50/37/48/561503748.db2.gz NPJSCJNINDDZNO-UHFFFAOYSA-N 1 2 350.400 2.071 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000282802031 551272080 /nfs/dbraw/zinc/27/20/80/551272080.db2.gz IJKDDOWCSVXYKI-CYBMUJFWSA-N 1 2 356.382 2.397 20 5 FEBDLO CCCNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000283627216 551399354 /nfs/dbraw/zinc/39/93/54/551399354.db2.gz SZMUGDOASMNJNR-UHFFFAOYSA-N 1 2 362.430 2.200 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000498147355 561517024 /nfs/dbraw/zinc/51/70/24/561517024.db2.gz QBPHXGQNFZESGZ-UHFFFAOYSA-N 1 2 362.777 2.107 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@]2(CO)CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC000284986470 551683670 /nfs/dbraw/zinc/68/36/70/551683670.db2.gz YGKQYUMIVCVLAS-QGZVFWFLSA-N 1 2 359.338 2.263 20 5 FEBDLO CC1CC[NH+](Cc2csc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)n2)CC1 ZINC000285009448 551688690 /nfs/dbraw/zinc/68/86/90/551688690.db2.gz DAKAISKIHIPTRH-UHFFFAOYSA-N 1 2 350.404 2.259 20 5 FEBDLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000285495314 551765383 /nfs/dbraw/zinc/76/53/83/551765383.db2.gz DWARSPJTEANWOV-LBPRGKRZSA-N 1 2 361.851 2.104 20 5 FEBDLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000285495314 551765384 /nfs/dbraw/zinc/76/53/84/551765384.db2.gz DWARSPJTEANWOV-LBPRGKRZSA-N 1 2 361.851 2.104 20 5 FEBDLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000285561695 551775112 /nfs/dbraw/zinc/77/51/12/551775112.db2.gz JQEKEJNQXCFIHV-ZDUSSCGKSA-N 1 2 361.851 2.104 20 5 FEBDLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000285561695 551775115 /nfs/dbraw/zinc/77/51/15/551775115.db2.gz JQEKEJNQXCFIHV-ZDUSSCGKSA-N 1 2 361.851 2.104 20 5 FEBDLO O=C(CC[N@@H+]1CCOC[C@H]1CC(F)F)Nc1cc([N+](=O)[O-])ccc1F ZINC000286362567 551878985 /nfs/dbraw/zinc/87/89/85/551878985.db2.gz HPEKFTBVXPQCCD-LLVKDONJSA-N 1 2 361.320 2.419 20 5 FEBDLO O=C(CC[N@H+]1CCOC[C@H]1CC(F)F)Nc1cc([N+](=O)[O-])ccc1F ZINC000286362567 551878987 /nfs/dbraw/zinc/87/89/87/551878987.db2.gz HPEKFTBVXPQCCD-LLVKDONJSA-N 1 2 361.320 2.419 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000287498499 552011916 /nfs/dbraw/zinc/01/19/16/552011916.db2.gz ULSNAUFEYPSECU-AAEUAGOBSA-N 1 2 353.806 2.183 20 5 FEBDLO CNc1c(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)cccc1[N+](=O)[O-] ZINC000500666155 561579142 /nfs/dbraw/zinc/57/91/42/561579142.db2.gz ROLKKOMTXHJQHT-UHFFFAOYSA-N 1 2 355.398 2.302 20 5 FEBDLO COc1c(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)cccc1[N+](=O)[O-] ZINC000500676068 561579172 /nfs/dbraw/zinc/57/91/72/561579172.db2.gz GHKQOTRCVKFJIX-UHFFFAOYSA-N 1 2 356.382 2.269 20 5 FEBDLO C[NH+](C)[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1c(F)cccc1F ZINC000290486007 552486531 /nfs/dbraw/zinc/48/65/31/552486531.db2.gz BYRAPQQELXEPFF-LBPRGKRZSA-N 1 2 365.340 2.082 20 5 FEBDLO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000295259268 552977866 /nfs/dbraw/zinc/97/78/66/552977866.db2.gz HLRPOIIFYUIYLH-HNNXBMFYSA-N 1 2 368.393 2.348 20 5 FEBDLO Cc1cc(Cl)c(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000295304394 552984620 /nfs/dbraw/zinc/98/46/20/552984620.db2.gz RIZKZZUJHSWOTP-NWDGAFQWSA-N 1 2 355.822 2.396 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1(C)C ZINC000295461557 553010791 /nfs/dbraw/zinc/01/07/91/553010791.db2.gz ZQZCHNLYPHHSCL-ZDUSSCGKSA-N 1 2 368.390 2.239 20 5 FEBDLO COC(=O)c1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000295883879 553071279 /nfs/dbraw/zinc/07/12/79/553071279.db2.gz BMOQVROLIPBRMQ-UHFFFAOYSA-N 1 2 356.382 2.099 20 5 FEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cccc3c2OCCCO3)CC1 ZINC000296176357 553117353 /nfs/dbraw/zinc/11/73/53/553117353.db2.gz ZFXHYZYQQTWCNK-UHFFFAOYSA-N 1 2 370.409 2.473 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1N(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000296391072 553152017 /nfs/dbraw/zinc/15/20/17/553152017.db2.gz UYXONDSGAHIMDC-AWEZNQCLSA-N 1 2 364.427 2.319 20 5 FEBDLO Cc1nc(N2CCN(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)CC2)cc[nH+]1 ZINC000297753223 553334354 /nfs/dbraw/zinc/33/43/54/553334354.db2.gz VEQTZQSAQGLRJP-ZDUSSCGKSA-N 1 2 370.413 2.286 20 5 FEBDLO Cc1cc(NCCCS(C)(=O)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000299392384 553557121 /nfs/dbraw/zinc/55/71/21/553557121.db2.gz LZWTUGZJKMPALB-UHFFFAOYSA-N 1 2 350.400 2.207 20 5 FEBDLO CC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000301117145 553623321 /nfs/dbraw/zinc/62/33/21/553623321.db2.gz PASBAXJLUMQALX-OAHLLOKOSA-N 1 2 355.398 2.465 20 5 FEBDLO Cc1cc(N2CC[NH+](CC(=O)NC(C)C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302043283 553699971 /nfs/dbraw/zinc/69/99/71/553699971.db2.gz XBGDTPYJIKSLDI-UHFFFAOYSA-N 1 2 371.441 2.098 20 5 FEBDLO CN(CC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1)c1ccccc1[N+](=O)[O-] ZINC000505530436 561673479 /nfs/dbraw/zinc/67/34/79/561673479.db2.gz QUYYVIUCOUPRRN-INIZCTEOSA-N 1 2 372.400 2.343 20 5 FEBDLO Cc1cccc(N2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000302496615 553718844 /nfs/dbraw/zinc/71/88/44/553718844.db2.gz MPASSUSYURNTHV-SFHVURJKSA-N 1 2 354.410 2.252 20 5 FEBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505468159 561671641 /nfs/dbraw/zinc/67/16/41/561671641.db2.gz IYFXGAJWQZIXKG-KRWDZBQOSA-N 1 2 359.357 2.286 20 5 FEBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000505571950 561674218 /nfs/dbraw/zinc/67/42/18/561674218.db2.gz FRBOCJRBQJRWHZ-KRWDZBQOSA-N 1 2 365.393 2.118 20 5 FEBDLO CC(C)(C(=O)NCCNc1ccc2ccccc2[nH+]1)n1cc([N+](=O)[O-])cn1 ZINC000610247182 554477493 /nfs/dbraw/zinc/47/74/93/554477493.db2.gz WGUQASGRHDCTDN-UHFFFAOYSA-N 1 2 368.397 2.303 20 5 FEBDLO Cc1cc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)C2CC2)ccc1[N+](=O)[O-] ZINC000510455103 561835294 /nfs/dbraw/zinc/83/52/94/561835294.db2.gz AYOZPYURIFGEHO-AWEZNQCLSA-N 1 2 350.400 2.066 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000510461757 561835306 /nfs/dbraw/zinc/83/53/06/561835306.db2.gz QPZJDVLQIIZJDD-HNNXBMFYSA-N 1 2 364.427 2.320 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000510449836 561834916 /nfs/dbraw/zinc/83/49/16/561834916.db2.gz PAVWHBIDUQFJMI-CYBMUJFWSA-N 1 2 350.400 2.066 20 5 FEBDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000511081744 561856114 /nfs/dbraw/zinc/85/61/14/561856114.db2.gz OVDGWQVBCHAKQH-LLVKDONJSA-N 1 2 361.851 2.104 20 5 FEBDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000511081744 561856116 /nfs/dbraw/zinc/85/61/16/561856116.db2.gz OVDGWQVBCHAKQH-LLVKDONJSA-N 1 2 361.851 2.104 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CCNc2nc[nH+]c3c2CCCC3)cc1 ZINC000612452899 554784171 /nfs/dbraw/zinc/78/41/71/554784171.db2.gz GWOKSEAFSWSMRT-UHFFFAOYSA-N 1 2 362.411 2.149 20 5 FEBDLO CCNc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000511207384 561861221 /nfs/dbraw/zinc/86/12/21/561861221.db2.gz RBKWCVVLLWJALH-CQSZACIVSA-N 1 2 355.398 2.430 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CCc1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000350642694 554803471 /nfs/dbraw/zinc/80/34/71/554803471.db2.gz GFPIYIFIYIZSNA-UHFFFAOYSA-N 1 2 367.369 2.272 20 5 FEBDLO CCN1C[C@H](c2noc(-c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)CC1=O ZINC000351439574 554854988 /nfs/dbraw/zinc/85/49/88/554854988.db2.gz PRLWTCGLTPICJH-GFCCVEGCSA-N 1 2 368.353 2.166 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nc(COC[C@@H]3CCOC3)no2)cc1-n1cc[nH+]c1 ZINC000351432605 554855160 /nfs/dbraw/zinc/85/51/60/554855160.db2.gz FEWNSYZPWITTDJ-GFCCVEGCSA-N 1 2 371.353 2.384 20 5 FEBDLO CCc1nc(C[N@H+]2C[C@H]3CN(c4ccc(F)cc4[N+](=O)[O-])C[C@H]3C2)no1 ZINC000361769043 554933787 /nfs/dbraw/zinc/93/37/87/554933787.db2.gz RKMPXXRBBGSTCM-TXEJJXNPSA-N 1 2 361.377 2.248 20 5 FEBDLO CCc1nc(C[N@@H+]2C[C@H]3CN(c4ccc(F)cc4[N+](=O)[O-])C[C@H]3C2)no1 ZINC000361769043 554933788 /nfs/dbraw/zinc/93/37/88/554933788.db2.gz RKMPXXRBBGSTCM-TXEJJXNPSA-N 1 2 361.377 2.248 20 5 FEBDLO O=[N+]([O-])c1c(NC[C@@]2([NH+]3CCOCC3)CCCOC2)ccc2ncccc21 ZINC000363840670 555196839 /nfs/dbraw/zinc/19/68/39/555196839.db2.gz FUNLLHSPCBCMBG-IBGZPJMESA-N 1 2 372.425 2.436 20 5 FEBDLO Cc1nn2c(C[N@@H+]3CCC[C@@H](n4cc([N+](=O)[O-])cn4)C3)c(C)nc2s1 ZINC000364328951 555292640 /nfs/dbraw/zinc/29/26/40/555292640.db2.gz PIPLCEHSRBMSEC-GFCCVEGCSA-N 1 2 361.431 2.349 20 5 FEBDLO Cc1nn2c(C[N@H+]3CCC[C@@H](n4cc([N+](=O)[O-])cn4)C3)c(C)nc2s1 ZINC000364328951 555292641 /nfs/dbraw/zinc/29/26/41/555292641.db2.gz PIPLCEHSRBMSEC-GFCCVEGCSA-N 1 2 361.431 2.349 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2c(F)ccc(O)c2F)cc1 ZINC000512470594 561906494 /nfs/dbraw/zinc/90/64/94/561906494.db2.gz ZQOOUPBBXVEZJY-UHFFFAOYSA-N 1 2 372.349 2.142 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)C2 ZINC000365099828 555485417 /nfs/dbraw/zinc/48/54/17/555485417.db2.gz DNMQEUCUEGXSQE-CQSZACIVSA-N 1 2 355.398 2.419 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)C2 ZINC000365099826 555485507 /nfs/dbraw/zinc/48/55/07/555485507.db2.gz DNMQEUCUEGXSQE-AWEZNQCLSA-N 1 2 355.398 2.419 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000365213302 555512744 /nfs/dbraw/zinc/51/27/44/555512744.db2.gz FOVWVPLTWNLSNR-CQSZACIVSA-N 1 2 363.395 2.140 20 5 FEBDLO CCOc1cc(C[N@@H+]2CCc3nn(CC)c(=O)cc3C2)ccc1[N+](=O)[O-] ZINC000365327009 555544086 /nfs/dbraw/zinc/54/40/86/555544086.db2.gz YYKLXJJVYGGSAJ-UHFFFAOYSA-N 1 2 358.398 2.128 20 5 FEBDLO CCOc1cc(C[N@H+]2CCc3nn(CC)c(=O)cc3C2)ccc1[N+](=O)[O-] ZINC000365327009 555544088 /nfs/dbraw/zinc/54/40/88/555544088.db2.gz YYKLXJJVYGGSAJ-UHFFFAOYSA-N 1 2 358.398 2.128 20 5 FEBDLO COc1cc(OCC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000365459628 555581139 /nfs/dbraw/zinc/58/11/39/555581139.db2.gz KXNSWQCSIYKLPS-ZDUSSCGKSA-N 1 2 374.397 2.122 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000365593829 555617228 /nfs/dbraw/zinc/61/72/28/555617228.db2.gz XPVIEKRJSFUZRN-LLVKDONJSA-N 1 2 370.818 2.046 20 5 FEBDLO C[NH+](C)C1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000513316683 561933300 /nfs/dbraw/zinc/93/33/00/561933300.db2.gz GEKFOKKEDKFOSQ-UHFFFAOYSA-N 1 2 355.394 2.129 20 5 FEBDLO CCC(=O)N1CC[C@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000513702959 561947167 /nfs/dbraw/zinc/94/71/67/561947167.db2.gz OXSOHFKDXZVBNH-WMLDXEAASA-N 1 2 357.414 2.018 20 5 FEBDLO CC(=O)c1ccccc1NC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000366747863 555924753 /nfs/dbraw/zinc/92/47/53/555924753.db2.gz WCYPZHLKBWLXPD-UHFFFAOYSA-N 1 2 371.397 2.270 20 5 FEBDLO Cc1cc(N[C@H]2CCc3[nH]c[nH+]c3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000366938687 555976513 /nfs/dbraw/zinc/97/65/13/555976513.db2.gz QPSZCFBPVAJXDA-ZDUSSCGKSA-N 1 2 350.382 2.475 20 5 FEBDLO Cc1cc(N[C@H]2CCc3[nH+]c[nH]c3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000366938687 555976514 /nfs/dbraw/zinc/97/65/14/555976514.db2.gz QPSZCFBPVAJXDA-ZDUSSCGKSA-N 1 2 350.382 2.475 20 5 FEBDLO Cc1cc(N[C@H]2CCC(=O)N[C@@H]2C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000367419622 556044013 /nfs/dbraw/zinc/04/40/13/556044013.db2.gz NOUYATBILOZNKU-MAUKXSAKSA-N 1 2 367.409 2.251 20 5 FEBDLO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367606954 556096034 /nfs/dbraw/zinc/09/60/34/556096034.db2.gz LQDRZLIWIZINGC-UHFFFAOYSA-N 1 2 356.382 2.342 20 5 FEBDLO O=c1c(Cl)c(N2CCn3c[nH+]cc3C2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000368178379 556239326 /nfs/dbraw/zinc/23/93/26/556239326.db2.gz SJVORHJDUACPSY-UHFFFAOYSA-N 1 2 372.772 2.011 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368431804 556307295 /nfs/dbraw/zinc/30/72/95/556307295.db2.gz GTUYCTQMGKLGMD-MRXNPFEDSA-N 1 2 366.381 2.491 20 5 FEBDLO Cc1cc([C@@H]2CCC[N@@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)[nH]n1 ZINC000368668009 556379941 /nfs/dbraw/zinc/37/99/41/556379941.db2.gz JTGZWVAPJBJKRB-CQSZACIVSA-N 1 2 357.414 2.469 20 5 FEBDLO Cc1cc([C@@H]2CCC[N@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)[nH]n1 ZINC000368668009 556379943 /nfs/dbraw/zinc/37/99/43/556379943.db2.gz JTGZWVAPJBJKRB-CQSZACIVSA-N 1 2 357.414 2.469 20 5 FEBDLO Cc1cc([C@@H]2CCC[N@@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000368668009 556379945 /nfs/dbraw/zinc/37/99/45/556379945.db2.gz JTGZWVAPJBJKRB-CQSZACIVSA-N 1 2 357.414 2.469 20 5 FEBDLO Cc1cc([C@@H]2CCC[N@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000368668009 556379947 /nfs/dbraw/zinc/37/99/47/556379947.db2.gz JTGZWVAPJBJKRB-CQSZACIVSA-N 1 2 357.414 2.469 20 5 FEBDLO O=C(NC1(C2CC2)CCOCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000368776007 556410499 /nfs/dbraw/zinc/41/04/99/556410499.db2.gz WUJNMXLCFCNFDO-UHFFFAOYSA-N 1 2 356.382 2.470 20 5 FEBDLO Cc1ncccc1O[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000368989075 556469460 /nfs/dbraw/zinc/46/94/60/556469460.db2.gz GBMAQBZCHGZGMI-KRWDZBQOSA-N 1 2 370.409 2.414 20 5 FEBDLO Cc1ncccc1O[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000368989075 556469462 /nfs/dbraw/zinc/46/94/62/556469462.db2.gz GBMAQBZCHGZGMI-KRWDZBQOSA-N 1 2 370.409 2.414 20 5 FEBDLO CCOC(=O)c1cc(C(=O)NCCCCn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000515986043 562026948 /nfs/dbraw/zinc/02/69/48/562026948.db2.gz UCRHTLSBLVHFBH-UHFFFAOYSA-N 1 2 360.370 2.178 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000369351352 556577215 /nfs/dbraw/zinc/57/72/15/556577215.db2.gz BXOXBILNYMGFBY-CYBMUJFWSA-N 1 2 364.427 2.205 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(Oc2cnccn2)CC1 ZINC000369681511 556667012 /nfs/dbraw/zinc/66/70/12/556667012.db2.gz MROJNFPXXSLAAA-CYBMUJFWSA-N 1 2 371.397 2.255 20 5 FEBDLO O=C1NCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1Cc1nc2ccccc2o1 ZINC000370421311 556868204 /nfs/dbraw/zinc/86/82/04/556868204.db2.gz NRBYKFVTPNTWDP-INIZCTEOSA-N 1 2 366.377 2.279 20 5 FEBDLO O=C1NCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1Cc1nc2ccccc2o1 ZINC000370421311 556868206 /nfs/dbraw/zinc/86/82/06/556868206.db2.gz NRBYKFVTPNTWDP-INIZCTEOSA-N 1 2 366.377 2.279 20 5 FEBDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000370865748 556995418 /nfs/dbraw/zinc/99/54/18/556995418.db2.gz YPZYDCJBZREHQJ-ZDUSSCGKSA-N 1 2 361.851 2.150 20 5 FEBDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000370865748 556995420 /nfs/dbraw/zinc/99/54/20/556995420.db2.gz YPZYDCJBZREHQJ-ZDUSSCGKSA-N 1 2 361.851 2.150 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370906531 557010369 /nfs/dbraw/zinc/01/03/69/557010369.db2.gz WGRFPTWZASEUNT-HUUCEWRRSA-N 1 2 374.441 2.399 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370906531 557010370 /nfs/dbraw/zinc/01/03/70/557010370.db2.gz WGRFPTWZASEUNT-HUUCEWRRSA-N 1 2 374.441 2.399 20 5 FEBDLO Cc1cc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3F)CC2)nc[nH+]1 ZINC000371187256 557101121 /nfs/dbraw/zinc/10/11/21/557101121.db2.gz XULOXIVOMPTZKJ-UHFFFAOYSA-N 1 2 359.361 2.231 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000371681825 557261508 /nfs/dbraw/zinc/26/15/08/557261508.db2.gz TXMXMZCMOJBCES-APWZRJJASA-N 1 2 374.393 2.114 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000371681825 557261513 /nfs/dbraw/zinc/26/15/13/557261513.db2.gz TXMXMZCMOJBCES-APWZRJJASA-N 1 2 374.393 2.114 20 5 FEBDLO O=C(N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000371706988 557270119 /nfs/dbraw/zinc/27/01/19/557270119.db2.gz MPPKPAPIKSLMON-BQDHKBFISA-N 1 2 351.353 2.024 20 5 FEBDLO O=C(N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000371706988 557270123 /nfs/dbraw/zinc/27/01/23/557270123.db2.gz MPPKPAPIKSLMON-BQDHKBFISA-N 1 2 351.353 2.024 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000371827870 557304758 /nfs/dbraw/zinc/30/47/58/557304758.db2.gz AWGDRHXBKOCUKN-QGZVFWFLSA-N 1 2 371.393 2.481 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000371827870 557304760 /nfs/dbraw/zinc/30/47/60/557304760.db2.gz AWGDRHXBKOCUKN-QGZVFWFLSA-N 1 2 371.393 2.481 20 5 FEBDLO Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000372086335 557376524 /nfs/dbraw/zinc/37/65/24/557376524.db2.gz UPWJXHULZOWTLD-GVDBMIGSSA-N 1 2 369.425 2.242 20 5 FEBDLO Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000372086335 557376525 /nfs/dbraw/zinc/37/65/25/557376525.db2.gz UPWJXHULZOWTLD-GVDBMIGSSA-N 1 2 369.425 2.242 20 5 FEBDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000372388994 557457350 /nfs/dbraw/zinc/45/73/50/557457350.db2.gz GYQJBKFHTMXWKW-UHFFFAOYSA-N 1 2 368.390 2.087 20 5 FEBDLO Cc1c(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000372528702 557493636 /nfs/dbraw/zinc/49/36/36/557493636.db2.gz FJVRSTNNFWNLJP-UHFFFAOYSA-N 1 2 373.369 2.317 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)c([N+](=O)[O-])c1 ZINC000372737089 557550981 /nfs/dbraw/zinc/55/09/81/557550981.db2.gz DEPYIJPBANFNDJ-MRXNPFEDSA-N 1 2 373.413 2.421 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cn(C)nc2C)c([N+](=O)[O-])c1 ZINC000372737089 557550982 /nfs/dbraw/zinc/55/09/82/557550982.db2.gz DEPYIJPBANFNDJ-MRXNPFEDSA-N 1 2 373.413 2.421 20 5 FEBDLO CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1cn2c([nH+]1)CCCC2 ZINC000372998937 557606974 /nfs/dbraw/zinc/60/69/74/557606974.db2.gz HKAHQSTXKLJEIT-UHFFFAOYSA-N 1 2 369.425 2.149 20 5 FEBDLO COc1ccccc1[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC[NH2+]1 ZINC000374336885 557867766 /nfs/dbraw/zinc/86/77/66/557867766.db2.gz JAUZXAKZYSJPGA-INIZCTEOSA-N 1 2 371.393 2.399 20 5 FEBDLO COc1ccccc1[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC[NH2+]1 ZINC000374354276 557870455 /nfs/dbraw/zinc/87/04/55/557870455.db2.gz XYEXNDALGMIQDY-INIZCTEOSA-N 1 2 356.382 2.094 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374366537 557872688 /nfs/dbraw/zinc/87/26/88/557872688.db2.gz SLEHFXQEJFVMRT-INIZCTEOSA-N 1 2 360.801 2.359 20 5 FEBDLO COc1ccccc1[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000374367429 557872706 /nfs/dbraw/zinc/87/27/06/557872706.db2.gz VTZGPYRTUCAUEJ-MRXNPFEDSA-N 1 2 355.394 2.319 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc3c(cc1[N+](=O)[O-])OCCO3)CCC2 ZINC000374411430 557880458 /nfs/dbraw/zinc/88/04/58/557880458.db2.gz LFWBFNKGXZVDOV-GFCCVEGCSA-N 1 2 372.381 2.178 20 5 FEBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3cc(N)ccc3[N+](=O)[O-])CC2)no1 ZINC000374551540 557898637 /nfs/dbraw/zinc/89/86/37/557898637.db2.gz UQTKAGACRXUQOH-CQSZACIVSA-N 1 2 360.418 2.359 20 5 FEBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3cc(N)ccc3[N+](=O)[O-])CC2)no1 ZINC000374551540 557898639 /nfs/dbraw/zinc/89/86/39/557898639.db2.gz UQTKAGACRXUQOH-CQSZACIVSA-N 1 2 360.418 2.359 20 5 FEBDLO Cc1cn2c([nH+]1)CN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)CC2 ZINC000374675608 557915490 /nfs/dbraw/zinc/91/54/90/557915490.db2.gz FOFAPOOQCODHJW-UHFFFAOYSA-N 1 2 359.342 2.281 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)c(Cl)c1 ZINC000375116954 557980202 /nfs/dbraw/zinc/98/02/02/557980202.db2.gz ZTHMDUMFPVOGQV-UHFFFAOYSA-N 1 2 370.818 2.260 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000375931198 558101811 /nfs/dbraw/zinc/10/18/11/558101811.db2.gz HYROKKOLRAKYCZ-UHFFFAOYSA-N 1 2 371.397 2.033 20 5 FEBDLO C[C@H](C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000376171210 558136281 /nfs/dbraw/zinc/13/62/81/558136281.db2.gz INQZTSOAXHFVEE-IPYPFGDCSA-N 1 2 365.405 2.159 20 5 FEBDLO COC(=O)c1cc(C)nc(NC[C@H]2CCCn3cc(C)[nH+]c32)c1[N+](=O)[O-] ZINC000376402995 558168781 /nfs/dbraw/zinc/16/87/81/558168781.db2.gz LKXTZZLGUMFMDI-GFCCVEGCSA-N 1 2 359.386 2.579 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000377279623 558304943 /nfs/dbraw/zinc/30/49/43/558304943.db2.gz VRQDCIWKXBWWIN-UHFFFAOYSA-N 1 2 363.414 2.113 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000377279623 558304945 /nfs/dbraw/zinc/30/49/45/558304945.db2.gz VRQDCIWKXBWWIN-UHFFFAOYSA-N 1 2 363.414 2.113 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000377490492 558350133 /nfs/dbraw/zinc/35/01/33/558350133.db2.gz BIIDEQYOIZUWKC-CYBMUJFWSA-N 1 2 361.358 2.152 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000377490492 558350135 /nfs/dbraw/zinc/35/01/35/558350135.db2.gz BIIDEQYOIZUWKC-CYBMUJFWSA-N 1 2 361.358 2.152 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000377491047 558350554 /nfs/dbraw/zinc/35/05/54/558350554.db2.gz CAOOOCGXBOWZLE-ZDUSSCGKSA-N 1 2 361.358 2.152 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1ncon1 ZINC000377491047 558350555 /nfs/dbraw/zinc/35/05/55/558350555.db2.gz CAOOOCGXBOWZLE-ZDUSSCGKSA-N 1 2 361.358 2.152 20 5 FEBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1OC ZINC000378197654 558500825 /nfs/dbraw/zinc/50/08/25/558500825.db2.gz BPIQSJBFSOWTAT-SNVBAGLBSA-N 1 2 360.370 2.013 20 5 FEBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1OC ZINC000378197654 558500827 /nfs/dbraw/zinc/50/08/27/558500827.db2.gz BPIQSJBFSOWTAT-SNVBAGLBSA-N 1 2 360.370 2.013 20 5 FEBDLO CC(C)(C(=O)NCc1cn2cc(Cl)ccc2[nH+]1)n1cc([N+](=O)[O-])cn1 ZINC000523288472 562210593 /nfs/dbraw/zinc/21/05/93/562210593.db2.gz VCBILDHPFXNDLJ-UHFFFAOYSA-N 1 2 362.777 2.144 20 5 FEBDLO Cc1[nH+]c2n(c1CN1CCN(c3ncc([N+](=O)[O-])cc3C)CC1)CCCC2 ZINC000378526251 558575654 /nfs/dbraw/zinc/57/56/54/558575654.db2.gz LQAIPNMEDLOSAP-UHFFFAOYSA-N 1 2 370.457 2.462 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000408338925 558668358 /nfs/dbraw/zinc/66/83/58/558668358.db2.gz NBAPQFHDWXHOIG-GJZGRUSLSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000408338925 558668360 /nfs/dbraw/zinc/66/83/60/558668360.db2.gz NBAPQFHDWXHOIG-GJZGRUSLSA-N 1 2 367.471 2.459 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCN(c3cccc[nH+]3)CC2)c1F ZINC000411136463 558843104 /nfs/dbraw/zinc/84/31/04/558843104.db2.gz AFMBYQMNBSTGJS-UHFFFAOYSA-N 1 2 374.372 2.029 20 5 FEBDLO Cc1nnc([C@@H](C)[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)[nH]1 ZINC000411530996 558911586 /nfs/dbraw/zinc/91/15/86/558911586.db2.gz WQPODJMERKZMMP-LLVKDONJSA-N 1 2 370.417 2.171 20 5 FEBDLO Cc1nnc([C@@H](C)[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)[nH]1 ZINC000411530996 558911587 /nfs/dbraw/zinc/91/15/87/558911587.db2.gz WQPODJMERKZMMP-LLVKDONJSA-N 1 2 370.417 2.171 20 5 FEBDLO Cc1nnc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000412024075 559003238 /nfs/dbraw/zinc/00/32/38/559003238.db2.gz BEYUPRUGALIKLU-AAEUAGOBSA-N 1 2 358.402 2.146 20 5 FEBDLO Cc1nnc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000412024075 559003239 /nfs/dbraw/zinc/00/32/39/559003239.db2.gz BEYUPRUGALIKLU-AAEUAGOBSA-N 1 2 358.402 2.146 20 5 FEBDLO Cc1n[nH]c([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000412024075 559003240 /nfs/dbraw/zinc/00/32/40/559003240.db2.gz BEYUPRUGALIKLU-AAEUAGOBSA-N 1 2 358.402 2.146 20 5 FEBDLO Cc1n[nH]c([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000412024075 559003241 /nfs/dbraw/zinc/00/32/41/559003241.db2.gz BEYUPRUGALIKLU-AAEUAGOBSA-N 1 2 358.402 2.146 20 5 FEBDLO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2csnn2)c([N+](=O)[O-])c1 ZINC000412037660 559004792 /nfs/dbraw/zinc/00/47/92/559004792.db2.gz JRTQBKZWMIUJAP-VIFPVBQESA-N 1 2 351.388 2.134 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c(C)cc1[N+](=O)[O-] ZINC000416437374 559312827 /nfs/dbraw/zinc/31/28/27/559312827.db2.gz HBBUPOILLPOMRH-ZDUSSCGKSA-N 1 2 364.427 2.123 20 5 FEBDLO CC(C)[N@@H+]1CCO[C@@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)C1 ZINC000420506746 559490062 /nfs/dbraw/zinc/49/00/62/559490062.db2.gz SZLIAWMXMUJVRN-OAHLLOKOSA-N 1 2 361.402 2.414 20 5 FEBDLO CC(C)[N@H+]1CCO[C@@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)C1 ZINC000420506746 559490063 /nfs/dbraw/zinc/49/00/63/559490063.db2.gz SZLIAWMXMUJVRN-OAHLLOKOSA-N 1 2 361.402 2.414 20 5 FEBDLO Cc1cc(CNC(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc(C)[nH+]1 ZINC000421253311 559533731 /nfs/dbraw/zinc/53/37/31/559533731.db2.gz WQJCWTPCAVIWMB-UHFFFAOYSA-N 1 2 356.382 2.478 20 5 FEBDLO Cc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc(C)[nH+]1 ZINC000421581350 559545679 /nfs/dbraw/zinc/54/56/79/559545679.db2.gz YEYBEKBOPMPWGS-UHFFFAOYSA-N 1 2 370.409 2.373 20 5 FEBDLO Cc1ccc([C@@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)[NH+]2CCOCC2)o1 ZINC000427981961 559766969 /nfs/dbraw/zinc/76/69/69/559766969.db2.gz PYVKZTFTJODAFV-MRXNPFEDSA-N 1 2 371.397 2.280 20 5 FEBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000428689624 559781198 /nfs/dbraw/zinc/78/11/98/559781198.db2.gz JQGUEZLVFFAAHS-UHFFFAOYSA-N 1 2 364.427 2.168 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1Cn1c2ccccc2[nH]c1=[NH+]C[C@H](C)O ZINC000429803001 559805955 /nfs/dbraw/zinc/80/59/55/559805955.db2.gz PIAROLVUXKIXCO-LBPRGKRZSA-N 1 2 356.382 2.794 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cnnn3Cc3ccccc3)nc2c1 ZINC000430079486 559812528 /nfs/dbraw/zinc/81/25/28/559812528.db2.gz RNOGPSSNINDJKI-UHFFFAOYSA-N 1 2 363.381 2.401 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000430240451 559815938 /nfs/dbraw/zinc/81/59/38/559815938.db2.gz OZBJPVHWZHOCQV-INIZCTEOSA-N 1 2 359.382 2.477 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000430240451 559815939 /nfs/dbraw/zinc/81/59/39/559815939.db2.gz OZBJPVHWZHOCQV-INIZCTEOSA-N 1 2 359.382 2.477 20 5 FEBDLO COC(=O)c1cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc([N+](=O)[O-])c1 ZINC000434279280 559897025 /nfs/dbraw/zinc/89/70/25/559897025.db2.gz YQASQMFVQXOXNO-UHFFFAOYSA-N 1 2 358.354 2.124 20 5 FEBDLO COC(=O)c1cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc([N+](=O)[O-])c1 ZINC000434279280 559897026 /nfs/dbraw/zinc/89/70/26/559897026.db2.gz YQASQMFVQXOXNO-UHFFFAOYSA-N 1 2 358.354 2.124 20 5 FEBDLO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)[nH+]cn3C)cc1[N+](=O)[O-] ZINC000435179080 559917728 /nfs/dbraw/zinc/91/77/28/559917728.db2.gz WVMWTDQIMDRUGL-UHFFFAOYSA-N 1 2 362.367 2.291 20 5 FEBDLO O=C(NCCn1cc[nH+]c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436115898 559935541 /nfs/dbraw/zinc/93/55/41/559935541.db2.gz RMKFJEUPRCWDNW-UHFFFAOYSA-N 1 2 350.353 2.447 20 5 FEBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000436386755 559940949 /nfs/dbraw/zinc/94/09/49/559940949.db2.gz KIEXNMJDQAGQQQ-UHFFFAOYSA-N 1 2 356.308 2.054 20 5 FEBDLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000442553453 560052717 /nfs/dbraw/zinc/05/27/17/560052717.db2.gz FIKSFIPYHLCTRB-UHFFFAOYSA-N 1 2 365.349 2.240 20 5 FEBDLO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444670902 560118001 /nfs/dbraw/zinc/11/80/01/560118001.db2.gz BLSUWIWTIBSWRS-QWHCGFSZSA-N 1 2 362.386 2.014 20 5 FEBDLO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444670902 560118002 /nfs/dbraw/zinc/11/80/02/560118002.db2.gz BLSUWIWTIBSWRS-QWHCGFSZSA-N 1 2 362.386 2.014 20 5 FEBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445013695 560126540 /nfs/dbraw/zinc/12/65/40/560126540.db2.gz VNEWAANJVHMBIZ-UHFFFAOYSA-N 1 2 367.365 2.212 20 5 FEBDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445518670 560132640 /nfs/dbraw/zinc/13/26/40/560132640.db2.gz LTILBHHWCOHVQY-UHFFFAOYSA-N 1 2 355.398 2.396 20 5 FEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000447658656 560166160 /nfs/dbraw/zinc/16/61/60/560166160.db2.gz IOWFXQGXASBYBR-RDJZCZTQSA-N 1 2 363.458 2.343 20 5 FEBDLO O=c1[nH]ccc2c1CN(c1cc(C[NH+]3CCOCC3)ccc1[N+](=O)[O-])CC2 ZINC000447806833 560169517 /nfs/dbraw/zinc/16/95/17/560169517.db2.gz OHUKQZYRHWGFLB-UHFFFAOYSA-N 1 2 370.409 2.090 20 5 FEBDLO Cn1cc([C@H]2C[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])CC23CCOCC3)cn1 ZINC000449456508 560230707 /nfs/dbraw/zinc/23/07/07/560230707.db2.gz CTWALHZCTFZBSM-QGZVFWFLSA-N 1 2 372.425 2.430 20 5 FEBDLO Cn1cc([C@H]2C[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])CC23CCOCC3)cn1 ZINC000449456508 560230708 /nfs/dbraw/zinc/23/07/08/560230708.db2.gz CTWALHZCTFZBSM-QGZVFWFLSA-N 1 2 372.425 2.430 20 5 FEBDLO COc1cc(C[N@@H+]2CC[C@](O)(C(F)F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000449478886 560231646 /nfs/dbraw/zinc/23/16/46/560231646.db2.gz YVLIXMIMXZWUAF-CQSZACIVSA-N 1 2 368.283 2.407 20 5 FEBDLO COc1cc(C[N@H+]2CC[C@](O)(C(F)F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000449478886 560231647 /nfs/dbraw/zinc/23/16/47/560231647.db2.gz YVLIXMIMXZWUAF-CQSZACIVSA-N 1 2 368.283 2.407 20 5 FEBDLO COc1ccc(N2CC[NH+](Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)nc1 ZINC000449766192 560239668 /nfs/dbraw/zinc/23/96/68/560239668.db2.gz MOLQKWJDRBGPFT-UHFFFAOYSA-N 1 2 358.398 2.329 20 5 FEBDLO CC(C)(C)OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449931050 560245695 /nfs/dbraw/zinc/24/56/95/560245695.db2.gz XUWRGXPBJNIRJQ-UHFFFAOYSA-N 1 2 360.370 2.242 20 5 FEBDLO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000449957291 560246448 /nfs/dbraw/zinc/24/64/48/560246448.db2.gz BYMXPYPYXLPTBI-LBPRGKRZSA-N 1 2 373.331 2.160 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCSC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000451645395 560319020 /nfs/dbraw/zinc/31/90/20/560319020.db2.gz AFSBACVRAKGOCU-HNNXBMFYSA-N 1 2 351.428 2.369 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCSC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000451645395 560319021 /nfs/dbraw/zinc/31/90/21/560319021.db2.gz AFSBACVRAKGOCU-HNNXBMFYSA-N 1 2 351.428 2.369 20 5 FEBDLO COc1cc(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000451900329 560335812 /nfs/dbraw/zinc/33/58/12/560335812.db2.gz ZYKMDGQDGUSKHW-AMIZOPFISA-N 1 2 352.284 2.488 20 5 FEBDLO COc1cc(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000451900329 560335813 /nfs/dbraw/zinc/33/58/13/560335813.db2.gz ZYKMDGQDGUSKHW-AMIZOPFISA-N 1 2 352.284 2.488 20 5 FEBDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000451939298 560339418 /nfs/dbraw/zinc/33/94/18/560339418.db2.gz ZNVHGODTOJRFFR-AWEZNQCLSA-N 1 2 355.460 2.316 20 5 FEBDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000451939298 560339419 /nfs/dbraw/zinc/33/94/19/560339419.db2.gz ZNVHGODTOJRFFR-AWEZNQCLSA-N 1 2 355.460 2.316 20 5 FEBDLO CC(C)OC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000452935904 560378361 /nfs/dbraw/zinc/37/83/61/560378361.db2.gz WMUZOWMJXLYTFL-INIZCTEOSA-N 1 2 374.397 2.487 20 5 FEBDLO C[C@@H]1C[C@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c2[nH+]ccn21 ZINC000455490189 560484278 /nfs/dbraw/zinc/48/42/78/560484278.db2.gz WJOSJWJRPUNCBY-RISCZKNCSA-N 1 2 357.370 2.401 20 5 FEBDLO CC1(C)C[C@@H](O)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000456547464 560524065 /nfs/dbraw/zinc/52/40/65/560524065.db2.gz YORYPIGBEPZYTH-AWEZNQCLSA-N 1 2 358.398 2.404 20 5 FEBDLO COc1ccccc1OCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459491857 560689591 /nfs/dbraw/zinc/68/95/91/560689591.db2.gz DIJSCWQMAINNRL-UHFFFAOYSA-N 1 2 358.398 2.199 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000463958530 560829257 /nfs/dbraw/zinc/82/92/57/560829257.db2.gz PFCGOBRWOGMMTC-UHFFFAOYSA-N 1 2 358.402 2.284 20 5 FEBDLO CC(C)(C)n1nnnc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464685090 560848408 /nfs/dbraw/zinc/84/84/08/560848408.db2.gz VSCUPMUMJAAFGJ-UHFFFAOYSA-N 1 2 360.418 2.380 20 5 FEBDLO CC(C)Cn1cc[nH+]c1CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465107466 560858254 /nfs/dbraw/zinc/85/82/54/560858254.db2.gz CYBKHPUYAWXNMW-UHFFFAOYSA-N 1 2 374.397 2.077 20 5 FEBDLO Cc1cc[nH+]cc1N1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000466595905 560890827 /nfs/dbraw/zinc/89/08/27/560890827.db2.gz HWNQCQWIRFERNJ-UHFFFAOYSA-N 1 2 370.409 2.416 20 5 FEBDLO Cc1sc(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC000467051000 560902304 /nfs/dbraw/zinc/90/23/04/560902304.db2.gz YXELVNASFZJAEQ-UHFFFAOYSA-N 1 2 352.397 2.091 20 5 FEBDLO C[C@@H](C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000469062750 560946124 /nfs/dbraw/zinc/94/61/24/560946124.db2.gz ZFMFXLFXXSCEQU-QWHCGFSZSA-N 1 2 353.394 2.017 20 5 FEBDLO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469566310 560958539 /nfs/dbraw/zinc/95/85/39/560958539.db2.gz CCEUQMHRCNODOB-UHFFFAOYSA-N 1 2 371.393 2.427 20 5 FEBDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475581005 561100236 /nfs/dbraw/zinc/10/02/36/561100236.db2.gz MWXSVJCVTGOXGC-GXTWGEPZSA-N 1 2 352.387 2.146 20 5 FEBDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475581005 561100237 /nfs/dbraw/zinc/10/02/37/561100237.db2.gz MWXSVJCVTGOXGC-GXTWGEPZSA-N 1 2 352.387 2.146 20 5 FEBDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000475874945 561107018 /nfs/dbraw/zinc/10/70/18/561107018.db2.gz GDGHUULDBZJEAU-GFCCVEGCSA-N 1 2 365.384 2.485 20 5 FEBDLO CCc1oc(C(=O)OC)cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000531177351 562437302 /nfs/dbraw/zinc/43/73/02/562437302.db2.gz HTTPNWKVBYOMQM-UHFFFAOYSA-N 1 2 374.397 2.254 20 5 FEBDLO Cc1cc(S(=O)(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000533819965 562519048 /nfs/dbraw/zinc/51/90/48/562519048.db2.gz QTIAWGWDMZZLKK-MRXNPFEDSA-N 1 2 361.423 2.368 20 5 FEBDLO Cc1cc(S(=O)(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000533819965 562519049 /nfs/dbraw/zinc/51/90/49/562519049.db2.gz QTIAWGWDMZZLKK-MRXNPFEDSA-N 1 2 361.423 2.368 20 5 FEBDLO Cc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000533819737 562519088 /nfs/dbraw/zinc/51/90/88/562519088.db2.gz QCULWHBGUVDUOT-MRXNPFEDSA-N 1 2 361.423 2.368 20 5 FEBDLO Cc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000533819737 562519089 /nfs/dbraw/zinc/51/90/89/562519089.db2.gz QCULWHBGUVDUOT-MRXNPFEDSA-N 1 2 361.423 2.368 20 5 FEBDLO COCC1(O)CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000534634659 562538716 /nfs/dbraw/zinc/53/87/16/562538716.db2.gz SZERJCFMSXUKAJ-UHFFFAOYSA-N 1 2 358.398 2.338 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000535312111 562555633 /nfs/dbraw/zinc/55/56/33/562555633.db2.gz CDWWTBPWKLVHGL-CHWSQXEVSA-N 1 2 373.413 2.153 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000535312111 562555634 /nfs/dbraw/zinc/55/56/34/562555634.db2.gz CDWWTBPWKLVHGL-CHWSQXEVSA-N 1 2 373.413 2.153 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535312111 562555635 /nfs/dbraw/zinc/55/56/35/562555635.db2.gz CDWWTBPWKLVHGL-CHWSQXEVSA-N 1 2 373.413 2.153 20 5 FEBDLO O=C(NCCCCn1cc[nH+]c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000535715344 562564942 /nfs/dbraw/zinc/56/49/42/562564942.db2.gz LRAYXMNNSDSFDF-UHFFFAOYSA-N 1 2 354.370 2.187 20 5 FEBDLO CC(=O)c1ccc(N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c([N+](=O)[O-])c1 ZINC000541190150 562605409 /nfs/dbraw/zinc/60/54/09/562605409.db2.gz QLLNVRWSIFRUTL-HNNXBMFYSA-N 1 2 371.397 2.134 20 5 FEBDLO CS(=O)(=O)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000809694473 674505550 /nfs/dbraw/zinc/50/55/50/674505550.db2.gz QFXDTYIXQSOLOP-UHFFFAOYSA-N 1 2 361.851 2.009 20 5 FEBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000809830211 674513936 /nfs/dbraw/zinc/51/39/36/674513936.db2.gz TXBZXFGFYPDHFQ-BDAKNGLRSA-N 1 2 365.814 2.100 20 5 FEBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000809830211 674513939 /nfs/dbraw/zinc/51/39/39/674513939.db2.gz TXBZXFGFYPDHFQ-BDAKNGLRSA-N 1 2 365.814 2.100 20 5 FEBDLO C[C@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000814987836 674893246 /nfs/dbraw/zinc/89/32/46/674893246.db2.gz FYXUOQDQNQGJIQ-SECBINFHSA-N 1 2 365.814 2.150 20 5 FEBDLO COC(=O)c1cnc(N2CC[NH+](Cc3ccsc3)CC2)c([N+](=O)[O-])c1 ZINC000564774854 675060386 /nfs/dbraw/zinc/06/03/86/675060386.db2.gz ZKWFAFSGVBAVEE-UHFFFAOYSA-N 1 2 362.411 2.160 20 5 FEBDLO CCc1ccc(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000571914981 670940421 /nfs/dbraw/zinc/94/04/21/670940421.db2.gz AAKQNJYCBDHPSW-ZDUSSCGKSA-N 1 2 364.427 2.069 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000608909034 675906875 /nfs/dbraw/zinc/90/68/75/675906875.db2.gz MNPMUPOHPMGRLE-UHFFFAOYSA-N 1 2 359.367 2.285 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000609134761 675911360 /nfs/dbraw/zinc/91/13/60/675911360.db2.gz SBIZYLNHZDUSBU-CQSZACIVSA-N 1 2 364.427 2.434 20 5 FEBDLO C[C@H](CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[S@@](C)=O ZINC000582980433 672051899 /nfs/dbraw/zinc/05/18/99/672051899.db2.gz HBGMOUBPDGURKK-MHGHZUBYSA-N 1 2 350.444 2.164 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])o1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000588844716 672485048 /nfs/dbraw/zinc/48/50/48/672485048.db2.gz ZYGVBSIGHGTOEU-UHFFFAOYSA-N 1 2 350.400 2.422 20 5 FEBDLO CCOC(=O)C1CC[NH+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000589494659 672529333 /nfs/dbraw/zinc/52/93/33/672529333.db2.gz WWDDOQHRSLSCJP-UHFFFAOYSA-N 1 2 350.371 2.157 20 5 FEBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000589835911 672542907 /nfs/dbraw/zinc/54/29/07/672542907.db2.gz PKLPNCLFUMYHIY-NSHDSACASA-N 1 2 350.325 2.476 20 5 FEBDLO O=C(Nc1nc(CCO)cs1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000590391747 672577795 /nfs/dbraw/zinc/57/77/95/672577795.db2.gz GNLKILBARFHHOE-UHFFFAOYSA-N 1 2 359.367 2.024 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000593009708 672863171 /nfs/dbraw/zinc/86/31/71/672863171.db2.gz DHPFBTMDIRQFHS-QWHCGFSZSA-N 1 2 362.304 2.269 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000593009708 672863175 /nfs/dbraw/zinc/86/31/75/672863175.db2.gz DHPFBTMDIRQFHS-QWHCGFSZSA-N 1 2 362.304 2.269 20 5 FEBDLO C[C@@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000598000192 673529068 /nfs/dbraw/zinc/52/90/68/673529068.db2.gz YCTKRAMQLYMXKS-YNEHKIRRSA-N 1 2 353.394 2.063 20 5 FEBDLO C[C@@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000598000192 673529071 /nfs/dbraw/zinc/52/90/71/673529071.db2.gz YCTKRAMQLYMXKS-YNEHKIRRSA-N 1 2 353.394 2.063 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599464899 673679175 /nfs/dbraw/zinc/67/91/75/673679175.db2.gz WNIZXZMJJSWNPH-LBPRGKRZSA-N 1 2 357.407 2.029 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599464899 673679176 /nfs/dbraw/zinc/67/91/76/673679176.db2.gz WNIZXZMJJSWNPH-LBPRGKRZSA-N 1 2 357.407 2.029 20 5 FEBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH2+]C2(C(N)=O)CC2)cc1OC ZINC000544447648 673712697 /nfs/dbraw/zinc/71/26/97/673712697.db2.gz BENGBBQXVSUEMA-NSHDSACASA-N 1 2 351.403 2.136 20 5 FEBDLO CC1=CC[N@H+](CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000545832405 673776997 /nfs/dbraw/zinc/77/69/97/673776997.db2.gz NMXVZABKFJSINU-UHFFFAOYSA-N 1 2 359.835 2.179 20 5 FEBDLO CC1=CC[N@@H+](CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000545832405 673776999 /nfs/dbraw/zinc/77/69/99/673776999.db2.gz NMXVZABKFJSINU-UHFFFAOYSA-N 1 2 359.835 2.179 20 5 FEBDLO COc1cc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c([N+](=O)[O-])cc1F ZINC000545931123 673783307 /nfs/dbraw/zinc/78/33/07/673783307.db2.gz UPOBFLLQBGTRTD-CYBMUJFWSA-N 1 2 351.378 2.329 20 5 FEBDLO COc1cc(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)c([N+](=O)[O-])cc1F ZINC000545931123 673783309 /nfs/dbraw/zinc/78/33/09/673783309.db2.gz UPOBFLLQBGTRTD-CYBMUJFWSA-N 1 2 351.378 2.329 20 5 FEBDLO Cn1cc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c([N+](=O)[O-])n1 ZINC000602598280 673908699 /nfs/dbraw/zinc/90/86/99/673908699.db2.gz ARGYFJVXYVACRB-NSHDSACASA-N 1 2 358.324 2.381 20 5 FEBDLO Cn1cc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c([N+](=O)[O-])n1 ZINC000602598280 673908701 /nfs/dbraw/zinc/90/87/01/673908701.db2.gz ARGYFJVXYVACRB-NSHDSACASA-N 1 2 358.324 2.381 20 5 FEBDLO O=C1C[C@]2(CC[N@@H+](Cc3cc(Br)c([N+](=O)[O-])s3)C2)CN1 ZINC000602638405 673909064 /nfs/dbraw/zinc/90/90/64/673909064.db2.gz CJAUDBKGDHUXJG-GFCCVEGCSA-N 1 2 360.233 2.131 20 5 FEBDLO O=C1C[C@]2(CC[N@H+](Cc3cc(Br)c([N+](=O)[O-])s3)C2)CN1 ZINC000602638405 673909068 /nfs/dbraw/zinc/90/90/68/673909068.db2.gz CJAUDBKGDHUXJG-GFCCVEGCSA-N 1 2 360.233 2.131 20 5 FEBDLO CC(C)[C@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000819904599 675321968 /nfs/dbraw/zinc/32/19/68/675321968.db2.gz AWMOVCXSQXDWGZ-BFQNTYOBSA-N 1 2 350.419 2.249 20 5 FEBDLO CC(C)[C@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000819904599 675321971 /nfs/dbraw/zinc/32/19/71/675321971.db2.gz AWMOVCXSQXDWGZ-BFQNTYOBSA-N 1 2 350.419 2.249 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000748823546 679998342 /nfs/dbraw/zinc/99/83/42/679998342.db2.gz BBODBRPXGKUJRK-UHFFFAOYSA-N 1 2 353.423 2.123 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000748823546 679998349 /nfs/dbraw/zinc/99/83/49/679998349.db2.gz BBODBRPXGKUJRK-UHFFFAOYSA-N 1 2 353.423 2.123 20 5 FEBDLO O=C1NC2(CO1)CC[NH+](Cc1c(Br)cccc1[N+](=O)[O-])CC2 ZINC000753586060 680305282 /nfs/dbraw/zinc/30/52/82/680305282.db2.gz DSXDHUDOJZFYPI-UHFFFAOYSA-N 1 2 370.203 2.432 20 5 FEBDLO O=C1NC2(CO1)CC[NH+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC2 ZINC000753587489 680305449 /nfs/dbraw/zinc/30/54/49/680305449.db2.gz OUODQUOIFSAIJB-UHFFFAOYSA-N 1 2 370.203 2.432 20 5 FEBDLO CC[C@H]1C[N@H+](Cn2nccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000756909826 680504545 /nfs/dbraw/zinc/50/45/45/680504545.db2.gz MIELVUPDBVZGPD-QWHCGFSZSA-N 1 2 353.423 2.374 20 5 FEBDLO CC[C@H]1C[N@@H+](Cn2nccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000756909826 680504546 /nfs/dbraw/zinc/50/45/46/680504546.db2.gz MIELVUPDBVZGPD-QWHCGFSZSA-N 1 2 353.423 2.374 20 5 FEBDLO CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCOCC1 ZINC000841347257 680874201 /nfs/dbraw/zinc/87/42/01/680874201.db2.gz PZXHJLZXPUPJNX-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C(C)(C)C[NH+]1CCOCC1 ZINC000841347920 680874292 /nfs/dbraw/zinc/87/42/92/680874292.db2.gz ZHUQQGLHJUBXNW-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000913386106 685476135 /nfs/dbraw/zinc/47/61/35/685476135.db2.gz NYOCUBURPSSDAS-JTQLQIEISA-N 1 2 352.753 2.463 20 5 FEBDLO O=C(OCCO[C@H]1CC1(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000849792780 681803559 /nfs/dbraw/zinc/80/35/59/681803559.db2.gz BOFIEGIVQSZUOW-ZDUSSCGKSA-N 1 2 353.281 2.362 20 5 FEBDLO COC(=O)N(C)CC[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000852568306 682300577 /nfs/dbraw/zinc/30/05/77/682300577.db2.gz YXBLPNKUKVQAIW-UHFFFAOYSA-N 1 2 360.208 2.487 20 5 FEBDLO COC(=O)N(C)CC[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000852568306 682300582 /nfs/dbraw/zinc/30/05/82/682300582.db2.gz YXBLPNKUKVQAIW-UHFFFAOYSA-N 1 2 360.208 2.487 20 5 FEBDLO C[C@@]1(C(F)F)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000852784319 682342700 /nfs/dbraw/zinc/34/27/00/682342700.db2.gz ITWSBLJCLLFWCG-HNNXBMFYSA-N 1 2 361.320 2.419 20 5 FEBDLO C[C@@]1(C(F)F)C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000852784319 682342702 /nfs/dbraw/zinc/34/27/02/682342702.db2.gz ITWSBLJCLLFWCG-HNNXBMFYSA-N 1 2 361.320 2.419 20 5 FEBDLO Cc1nn(C)c(Cl)c1C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000788006094 682496405 /nfs/dbraw/zinc/49/64/05/682496405.db2.gz MAHJISHGFGFHBV-LBPRGKRZSA-N 1 2 368.821 2.162 20 5 FEBDLO Cc1nn(C)c(Cl)c1C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000788006094 682496411 /nfs/dbraw/zinc/49/64/11/682496411.db2.gz MAHJISHGFGFHBV-LBPRGKRZSA-N 1 2 368.821 2.162 20 5 FEBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000928644307 683479999 /nfs/dbraw/zinc/47/99/99/683479999.db2.gz PXECXSVUCJXOLQ-CHWSQXEVSA-N 1 2 353.394 2.064 20 5 FEBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000928641595 683480339 /nfs/dbraw/zinc/48/03/39/683480339.db2.gz QLPQUOVSOCRLNS-ZDUSSCGKSA-N 1 2 355.822 2.018 20 5 FEBDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891813728 689111525 /nfs/dbraw/zinc/11/15/25/689111525.db2.gz ZLAFXWKPSPTPLA-ZDUSSCGKSA-N 1 2 351.403 2.142 20 5 FEBDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891813728 689111529 /nfs/dbraw/zinc/11/15/29/689111529.db2.gz ZLAFXWKPSPTPLA-ZDUSSCGKSA-N 1 2 351.403 2.142 20 5 FEBDLO COc1c(O)ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1[N+](=O)[O-] ZINC000894124727 689471447 /nfs/dbraw/zinc/47/14/47/689471447.db2.gz OSGNFLZIQQCJJS-PRXAMGSTSA-N 1 2 352.387 2.077 20 5 FEBDLO COc1c(O)ccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1[N+](=O)[O-] ZINC000894124727 689471450 /nfs/dbraw/zinc/47/14/50/689471450.db2.gz OSGNFLZIQQCJJS-PRXAMGSTSA-N 1 2 352.387 2.077 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1[nH+]cnc2c1cnn2C ZINC000011677361 539531859 /nfs/dbraw/zinc/53/18/59/539531859.db2.gz LVGCBVKQUUJNAI-UHFFFAOYSA-N 1 2 358.383 2.311 20 5 FEBDLO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016565560 539633366 /nfs/dbraw/zinc/63/33/66/539633366.db2.gz URVIWPNYADTKPH-HOTGVXAUSA-N 1 2 360.458 2.412 20 5 FEBDLO Cc1cc(C[NH+]2CCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC000022252731 539693583 /nfs/dbraw/zinc/69/35/83/539693583.db2.gz MUAZUKLFWFQATJ-CQSZACIVSA-N 1 2 373.413 2.036 20 5 FEBDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])cn3C)CC2)cc1 ZINC000022428755 539695206 /nfs/dbraw/zinc/69/52/06/539695206.db2.gz DQTJCKICJOTVRQ-UHFFFAOYSA-N 1 2 372.425 2.290 20 5 FEBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1cccc(F)c1 ZINC000024016690 539723886 /nfs/dbraw/zinc/72/38/86/539723886.db2.gz UFNOYJHBOVEAIR-OAHLLOKOSA-N 1 2 357.345 2.325 20 5 FEBDLO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348565 539784523 /nfs/dbraw/zinc/78/45/23/539784523.db2.gz LTYWMPZWNSNWHN-ZDUSSCGKSA-N 1 2 368.393 2.400 20 5 FEBDLO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348565 539784527 /nfs/dbraw/zinc/78/45/27/539784527.db2.gz LTYWMPZWNSNWHN-ZDUSSCGKSA-N 1 2 368.393 2.400 20 5 FEBDLO CN(C(=O)C[N@H+](C)Cc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000029068562 539842094 /nfs/dbraw/zinc/84/20/94/539842094.db2.gz JZMOLPPGNHNWHH-UHFFFAOYSA-N 1 2 357.366 2.418 20 5 FEBDLO CN(C(=O)C[N@@H+](C)Cc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000029068562 539842096 /nfs/dbraw/zinc/84/20/96/539842096.db2.gz JZMOLPPGNHNWHH-UHFFFAOYSA-N 1 2 357.366 2.418 20 5 FEBDLO Nc1nc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc2ccccc12 ZINC000030539014 539885056 /nfs/dbraw/zinc/88/50/56/539885056.db2.gz APKGTLAPGRGZND-UHFFFAOYSA-N 1 2 364.409 2.442 20 5 FEBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000031305217 539904311 /nfs/dbraw/zinc/90/43/11/539904311.db2.gz XJKKPCBMMSIPTE-LLVKDONJSA-N 1 2 352.822 2.037 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000037171512 539996024 /nfs/dbraw/zinc/99/60/24/539996024.db2.gz DWOZUWGRTQEPPO-MRXNPFEDSA-N 1 2 359.382 2.477 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000037171512 539996027 /nfs/dbraw/zinc/99/60/27/539996027.db2.gz DWOZUWGRTQEPPO-MRXNPFEDSA-N 1 2 359.382 2.477 20 5 FEBDLO CCC[C@@](C)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OC ZINC000041811843 540034464 /nfs/dbraw/zinc/03/44/64/540034464.db2.gz UTKNMRLCIDGZMM-QGZVFWFLSA-N 1 2 360.370 2.242 20 5 FEBDLO CC(C)CN(C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000052844772 540493265 /nfs/dbraw/zinc/49/32/65/540493265.db2.gz BBQRARYIRCCRFC-UHFFFAOYSA-N 1 2 360.458 2.364 20 5 FEBDLO Cc1noc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000054677647 540601976 /nfs/dbraw/zinc/60/19/76/540601976.db2.gz OCPTYGCEFOYYIL-AAEUAGOBSA-N 1 2 359.386 2.493 20 5 FEBDLO Cc1noc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000054677647 540601980 /nfs/dbraw/zinc/60/19/80/540601980.db2.gz OCPTYGCEFOYYIL-AAEUAGOBSA-N 1 2 359.386 2.493 20 5 FEBDLO CCN(Cc1cnn(C)c1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000065908302 541271144 /nfs/dbraw/zinc/27/11/44/541271144.db2.gz YFESHSQWPOXTLZ-UHFFFAOYSA-N 1 2 354.370 2.176 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)s1 ZINC000066327602 541302832 /nfs/dbraw/zinc/30/28/32/541302832.db2.gz FOCYJCDGUIDYED-UHFFFAOYSA-N 1 2 372.815 2.436 20 5 FEBDLO C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000066566671 541338210 /nfs/dbraw/zinc/33/82/10/541338210.db2.gz JEIKUENFPKKRTG-AEFFLSMTSA-N 1 2 374.485 2.407 20 5 FEBDLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(N)c([N+](=O)[O-])c1 ZINC000068511844 541601013 /nfs/dbraw/zinc/60/10/13/541601013.db2.gz CUZPVCOTUMOFSG-UHFFFAOYSA-N 1 2 355.398 2.411 20 5 FEBDLO CC[C@@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000078523166 542465239 /nfs/dbraw/zinc/46/52/39/542465239.db2.gz CYTFLDSHZJEBQQ-NSHDSACASA-N 1 2 358.236 2.250 20 5 FEBDLO CCCN(CC(=O)OCC)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000079215023 542506111 /nfs/dbraw/zinc/50/61/11/542506111.db2.gz WADQGTRXNAYGHB-UHFFFAOYSA-N 1 2 360.370 2.196 20 5 FEBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc([N+](=O)[O-])cc(F)c1F ZINC000081248031 542641221 /nfs/dbraw/zinc/64/12/21/542641221.db2.gz NUMQHLMMVGMSTJ-UHFFFAOYSA-N 1 2 350.325 2.378 20 5 FEBDLO Cc1n[nH]c(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1[N+](=O)[O-] ZINC000081318016 542648297 /nfs/dbraw/zinc/64/82/97/542648297.db2.gz RPJGVJAVYJIYBK-ZDUSSCGKSA-N 1 2 354.370 2.074 20 5 FEBDLO C[NH+]1CCN(C[C@H]2CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000087357097 542745011 /nfs/dbraw/zinc/74/50/11/542745011.db2.gz JPIWIMLCUZAFOL-GOSISDBHSA-N 1 2 374.485 2.013 20 5 FEBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000089304486 542760253 /nfs/dbraw/zinc/76/02/53/542760253.db2.gz ANPLERAUONHHBP-UHFFFAOYSA-N 1 2 369.421 2.400 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)c1 ZINC000088719589 542755523 /nfs/dbraw/zinc/75/55/23/542755523.db2.gz PQLJVZFEPWWXEV-OAHLLOKOSA-N 1 2 360.458 2.473 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)c1 ZINC000088699897 542755557 /nfs/dbraw/zinc/75/55/57/542755557.db2.gz IXWSFHDISFOASR-GOSISDBHSA-N 1 2 354.410 2.252 20 5 FEBDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000091896995 542831125 /nfs/dbraw/zinc/83/11/25/542831125.db2.gz HHIWDCUDVFDYQC-ZKKXHLJNSA-N 1 2 353.444 2.010 20 5 FEBDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000091896995 542831127 /nfs/dbraw/zinc/83/11/27/542831127.db2.gz HHIWDCUDVFDYQC-ZKKXHLJNSA-N 1 2 353.444 2.010 20 5 FEBDLO Cc1nn(C)c(C(=O)NCCCn2c(C)[nH+]c3ccccc32)c1[N+](=O)[O-] ZINC000098098544 543021022 /nfs/dbraw/zinc/02/10/22/543021022.db2.gz GKKONYBCJIRFEK-UHFFFAOYSA-N 1 2 356.386 2.115 20 5 FEBDLO NC(=O)C[N@H+](CCC1CCCCC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000101567827 543034471 /nfs/dbraw/zinc/03/44/71/543034471.db2.gz ROEPZSJOAOOYIB-UHFFFAOYSA-N 1 2 362.430 2.291 20 5 FEBDLO NC(=O)C[N@@H+](CCC1CCCCC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000101567827 543034473 /nfs/dbraw/zinc/03/44/73/543034473.db2.gz ROEPZSJOAOOYIB-UHFFFAOYSA-N 1 2 362.430 2.291 20 5 FEBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c[nH+]cn1C ZINC000121270174 543691530 /nfs/dbraw/zinc/69/15/30/543691530.db2.gz ZSNRBWDHNSAMJR-UHFFFAOYSA-N 1 2 364.427 2.039 20 5 FEBDLO COc1cc(OCC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000123304286 543753892 /nfs/dbraw/zinc/75/38/92/543753892.db2.gz LUEJJNOTEQSYFG-CZUORRHYSA-N 1 2 374.397 2.288 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000126168141 543922008 /nfs/dbraw/zinc/92/20/08/543922008.db2.gz BOHWGZNKTYZVFZ-WBVHZDCISA-N 1 2 364.423 2.470 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000126168141 543922009 /nfs/dbraw/zinc/92/20/09/543922009.db2.gz BOHWGZNKTYZVFZ-WBVHZDCISA-N 1 2 364.423 2.470 20 5 FEBDLO CC(C)c1ccc(CN2CC[NH+](CC(=O)N3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000127878306 544018600 /nfs/dbraw/zinc/01/86/00/544018600.db2.gz SVEIOEAHWFKGOU-UHFFFAOYSA-N 1 2 374.485 2.458 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC(n3cc[nH+]c3)CC2)s1 ZINC000129152143 544093335 /nfs/dbraw/zinc/09/33/35/544093335.db2.gz HLWIUSGVYRSFFN-UHFFFAOYSA-N 1 2 356.429 2.098 20 5 FEBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC(=O)NCc1ccco1 ZINC000130158209 544140528 /nfs/dbraw/zinc/14/05/28/544140528.db2.gz SFLDURCCVDCOHR-UHFFFAOYSA-N 1 2 372.381 2.178 20 5 FEBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC(=O)NCc1ccco1 ZINC000130158209 544140531 /nfs/dbraw/zinc/14/05/31/544140531.db2.gz SFLDURCCVDCOHR-UHFFFAOYSA-N 1 2 372.381 2.178 20 5 FEBDLO CC(C)C[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000132415732 544230423 /nfs/dbraw/zinc/23/04/23/544230423.db2.gz OTGZZOWQHDJZQU-CQSZACIVSA-N 1 2 353.394 2.211 20 5 FEBDLO O=C1NCCCN1C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000135411766 544346020 /nfs/dbraw/zinc/34/60/20/544346020.db2.gz FVMJLKBYDPJZPP-UHFFFAOYSA-N 1 2 359.386 2.116 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](CCO)Cc3cccnc3)o2)cc1 ZINC000152313592 544637334 /nfs/dbraw/zinc/63/73/34/544637334.db2.gz NILQGDDFGDYZKW-UHFFFAOYSA-N 1 2 355.354 2.034 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](CCO)Cc3cccnc3)o2)cc1 ZINC000152313592 544637338 /nfs/dbraw/zinc/63/73/38/544637338.db2.gz NILQGDDFGDYZKW-UHFFFAOYSA-N 1 2 355.354 2.034 20 5 FEBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCCOc1cccc(F)c1 ZINC000153330125 544762518 /nfs/dbraw/zinc/76/25/18/544762518.db2.gz UPPBJTUEMSIXJU-UHFFFAOYSA-N 1 2 373.384 2.287 20 5 FEBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCCOc1cccc(F)c1 ZINC000153330125 544762521 /nfs/dbraw/zinc/76/25/21/544762521.db2.gz UPPBJTUEMSIXJU-UHFFFAOYSA-N 1 2 373.384 2.287 20 5 FEBDLO O=[N+]([O-])c1ccc(OC[C@@H](O)C[NH+]2CCOCC2)c(Cc2ccccc2)c1 ZINC000153708370 544811847 /nfs/dbraw/zinc/81/18/47/544811847.db2.gz CDVOROQOYKNUTK-IBGZPJMESA-N 1 2 372.421 2.258 20 5 FEBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000155257144 545006437 /nfs/dbraw/zinc/00/64/37/545006437.db2.gz POOSBUJWCFCDMU-UHFFFAOYSA-N 1 2 356.382 2.316 20 5 FEBDLO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000184669901 327878094 /nfs/dbraw/zinc/87/80/94/327878094.db2.gz NCRSSEFVKMIMLZ-UHFFFAOYSA-N 1 2 356.382 2.090 20 5 FEBDLO CCOc1ccc(NC(=O)C[NH2+][C@H](CCO)c2ccco2)c([N+](=O)[O-])c1 ZINC000185076061 327898173 /nfs/dbraw/zinc/89/81/73/327898173.db2.gz RJWRDLJLULJYCC-CQSZACIVSA-N 1 2 363.370 2.238 20 5 FEBDLO CCOCC[NH+]1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000188152520 328069694 /nfs/dbraw/zinc/06/96/94/328069694.db2.gz JYHNLAAEOZNQDH-UHFFFAOYSA-N 1 2 353.444 2.111 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189141343 328130854 /nfs/dbraw/zinc/13/08/54/328130854.db2.gz DDNSLMVHLFAEJT-MRXNPFEDSA-N 1 2 363.414 2.433 20 5 FEBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@H](O)COc3ccccc3F)C2)cc1 ZINC000189461894 328149606 /nfs/dbraw/zinc/14/96/06/328149606.db2.gz HEZDTCXNWFOUAZ-AWEZNQCLSA-N 1 2 362.357 2.237 20 5 FEBDLO Cc1ccccc1OC[C@H](O)C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000189463623 328150100 /nfs/dbraw/zinc/15/01/00/328150100.db2.gz LTMDEABRANLLEC-MRXNPFEDSA-N 1 2 358.394 2.406 20 5 FEBDLO COc1ccc(OC)c(C[NH+]2CCN(c3ncc([N+](=O)[O-])s3)CC2)c1 ZINC000190313418 328199875 /nfs/dbraw/zinc/19/98/75/328199875.db2.gz BQTNBNQKAMJXBS-UHFFFAOYSA-N 1 2 364.427 2.391 20 5 FEBDLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000016482964 324385713 /nfs/dbraw/zinc/38/57/13/324385713.db2.gz HOJGIMLPVUPMQE-LLVKDONJSA-N 1 2 369.805 2.462 20 5 FEBDLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000016482964 324385717 /nfs/dbraw/zinc/38/57/17/324385717.db2.gz HOJGIMLPVUPMQE-LLVKDONJSA-N 1 2 369.805 2.462 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000116060933 325989994 /nfs/dbraw/zinc/98/99/94/325989994.db2.gz WIOPITUWSLXFHJ-UHFFFAOYSA-N 1 2 372.429 2.192 20 5 FEBDLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866997 326109931 /nfs/dbraw/zinc/10/99/31/326109931.db2.gz QGEXKEZXZYVIQW-OAHLLOKOSA-N 1 2 355.398 2.423 20 5 FEBDLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866997 326109932 /nfs/dbraw/zinc/10/99/32/326109932.db2.gz QGEXKEZXZYVIQW-OAHLLOKOSA-N 1 2 355.398 2.423 20 5 FEBDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000127450636 326506656 /nfs/dbraw/zinc/50/66/56/326506656.db2.gz YVSDRWYQGBNUQE-UHFFFAOYSA-N 1 2 365.411 2.448 20 5 FEBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000170629356 327089721 /nfs/dbraw/zinc/08/97/21/327089721.db2.gz VZRPGXADHUIGLX-CYBMUJFWSA-N 1 2 367.471 2.302 20 5 FEBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000170629356 327089723 /nfs/dbraw/zinc/08/97/23/327089723.db2.gz VZRPGXADHUIGLX-CYBMUJFWSA-N 1 2 367.471 2.302 20 5 FEBDLO C[C@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000171103211 327118179 /nfs/dbraw/zinc/11/81/79/327118179.db2.gz XFMRKSDIVQFZME-ZDUSSCGKSA-N 1 2 350.419 2.066 20 5 FEBDLO C[C@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000171103211 327118181 /nfs/dbraw/zinc/11/81/81/327118181.db2.gz XFMRKSDIVQFZME-ZDUSSCGKSA-N 1 2 350.419 2.066 20 5 FEBDLO C[C@H]([NH2+][C@@H](C)c1nnc2ccccn21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000172620670 327212023 /nfs/dbraw/zinc/21/20/23/327212023.db2.gz NSSBIFZMXVYNEC-RYUDHWBXSA-N 1 2 354.370 2.315 20 5 FEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172765896 327217801 /nfs/dbraw/zinc/21/78/01/327217801.db2.gz FVCAOOFLMCMSAO-DZGCQCFKSA-N 1 2 365.455 2.009 20 5 FEBDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000174356384 327321666 /nfs/dbraw/zinc/32/16/66/327321666.db2.gz UKUMXGFQGDNZBT-LBPRGKRZSA-N 1 2 354.794 2.233 20 5 FEBDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000174356384 327321667 /nfs/dbraw/zinc/32/16/67/327321667.db2.gz UKUMXGFQGDNZBT-LBPRGKRZSA-N 1 2 354.794 2.233 20 5 FEBDLO Cc1ccc(C(=O)N2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000178573105 327593160 /nfs/dbraw/zinc/59/31/60/327593160.db2.gz VBISGFYZRWYBCQ-IBGZPJMESA-N 1 2 369.421 2.395 20 5 FEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266289942 329208356 /nfs/dbraw/zinc/20/83/56/329208356.db2.gz JCNODLVAOCXNIQ-AWEZNQCLSA-N 1 2 373.413 2.433 20 5 FEBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000267533421 329336094 /nfs/dbraw/zinc/33/60/94/329336094.db2.gz LQKZNQCQBWTRFA-UHFFFAOYSA-N 1 2 357.292 2.089 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000268055842 329380937 /nfs/dbraw/zinc/38/09/37/329380937.db2.gz NOHWLEKSAUESKG-JTQLQIEISA-N 1 2 354.363 2.025 20 5 FEBDLO COc1cc(N2CC[NH+](Cc3cc(C)no3)CC2)c([N+](=O)[O-])cc1F ZINC000268225529 329398820 /nfs/dbraw/zinc/39/88/20/329398820.db2.gz RGWYYGUUEZWEKG-UHFFFAOYSA-N 1 2 350.350 2.361 20 5 FEBDLO CC1(C)C[NH+]=C(N2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])CC2)S1 ZINC000272766744 329811930 /nfs/dbraw/zinc/81/19/30/329811930.db2.gz WSDBMQRKEKLLRH-UHFFFAOYSA-N 1 2 364.431 2.021 20 5 FEBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000273488067 329868863 /nfs/dbraw/zinc/86/88/63/329868863.db2.gz RVMGFHZUHOQXLT-ZDUSSCGKSA-N 1 2 352.366 2.062 20 5 FEBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000275097366 330010239 /nfs/dbraw/zinc/01/02/39/330010239.db2.gz ICLVNEIJHSBLKB-UHFFFAOYSA-N 1 2 372.381 2.088 20 5 FEBDLO COCc1noc(CN2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000275610448 330069783 /nfs/dbraw/zinc/06/97/83/330069783.db2.gz SLECEORCHXDQFT-CYBMUJFWSA-N 1 2 361.402 2.003 20 5 FEBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCOC[C@@H]1C1CC1 ZINC000367239685 330234742 /nfs/dbraw/zinc/23/47/42/330234742.db2.gz FCJKPNKPGOEINS-GOSISDBHSA-N 1 2 359.426 2.197 20 5 FEBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCOC[C@@H]1C1CC1 ZINC000367239685 330234743 /nfs/dbraw/zinc/23/47/43/330234743.db2.gz FCJKPNKPGOEINS-GOSISDBHSA-N 1 2 359.426 2.197 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000369337820 330241407 /nfs/dbraw/zinc/24/14/07/330241407.db2.gz DZOGQECRONDWAE-ZDUSSCGKSA-N 1 2 364.427 2.205 20 5 FEBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000805473191 674339033 /nfs/dbraw/zinc/33/90/33/674339033.db2.gz SNJCJCDXGZDFTF-CYBMUJFWSA-N 1 2 373.203 2.121 20 5 FEBDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000805473191 674339035 /nfs/dbraw/zinc/33/90/35/674339035.db2.gz SNJCJCDXGZDFTF-CYBMUJFWSA-N 1 2 373.203 2.121 20 5 FEBDLO CCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000156109606 545600554 /nfs/dbraw/zinc/60/05/54/545600554.db2.gz MTUWMEYKKPEJRP-GXTWGEPZSA-N 1 2 351.403 2.431 20 5 FEBDLO CCO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000156109606 545600556 /nfs/dbraw/zinc/60/05/56/545600556.db2.gz MTUWMEYKKPEJRP-GXTWGEPZSA-N 1 2 351.403 2.431 20 5 FEBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000159536675 545961672 /nfs/dbraw/zinc/96/16/72/545961672.db2.gz OXWOHVHGLKFIFJ-WBVHZDCISA-N 1 2 362.382 2.391 20 5 FEBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000159536675 545961676 /nfs/dbraw/zinc/96/16/76/545961676.db2.gz OXWOHVHGLKFIFJ-WBVHZDCISA-N 1 2 362.382 2.391 20 5 FEBDLO C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000480390350 561208256 /nfs/dbraw/zinc/20/82/56/561208256.db2.gz VJATZCJCZXWRID-KUHUBIRLSA-N 1 2 361.442 2.431 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000177280897 546585759 /nfs/dbraw/zinc/58/57/59/546585759.db2.gz MUNUFKJPWSQCOW-IINYFYTJSA-N 1 2 361.320 2.229 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@](O)(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000177280897 546585761 /nfs/dbraw/zinc/58/57/61/546585761.db2.gz MUNUFKJPWSQCOW-IINYFYTJSA-N 1 2 361.320 2.229 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc(N(C)C)[nH+]c2)c1C ZINC000480938136 561220644 /nfs/dbraw/zinc/22/06/44/561220644.db2.gz XKZWHOLKRPPHJI-UHFFFAOYSA-N 1 2 364.427 2.151 20 5 FEBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000178062258 546732419 /nfs/dbraw/zinc/73/24/19/546732419.db2.gz FTQAKIUPDXBJRC-UHFFFAOYSA-N 1 2 363.333 2.014 20 5 FEBDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000481499367 561234320 /nfs/dbraw/zinc/23/43/20/561234320.db2.gz MKGLPANFHJRBQA-SWLSCSKDSA-N 1 2 352.387 2.256 20 5 FEBDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000481499367 561234321 /nfs/dbraw/zinc/23/43/21/561234321.db2.gz MKGLPANFHJRBQA-SWLSCSKDSA-N 1 2 352.387 2.256 20 5 FEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cn1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000178766222 546846392 /nfs/dbraw/zinc/84/63/92/546846392.db2.gz NZCJGLOTOBPWOQ-ZDUSSCGKSA-N 1 2 373.438 2.214 20 5 FEBDLO CC(C)CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000481695049 561238873 /nfs/dbraw/zinc/23/88/73/561238873.db2.gz IXRANPVWNMJVLH-ZDUSSCGKSA-N 1 2 355.460 2.211 20 5 FEBDLO COCCO[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000179355573 546938059 /nfs/dbraw/zinc/93/80/59/546938059.db2.gz KMWOEBDNMKBSJT-OAHLLOKOSA-N 1 2 362.386 2.272 20 5 FEBDLO COCCO[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000179355573 546938065 /nfs/dbraw/zinc/93/80/65/546938065.db2.gz KMWOEBDNMKBSJT-OAHLLOKOSA-N 1 2 362.386 2.272 20 5 FEBDLO COCCO[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000179360492 546938848 /nfs/dbraw/zinc/93/88/48/546938848.db2.gz OQQBXUNUBJUYCC-CYBMUJFWSA-N 1 2 371.821 2.314 20 5 FEBDLO COCCO[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000179360492 546938849 /nfs/dbraw/zinc/93/88/49/546938849.db2.gz OQQBXUNUBJUYCC-CYBMUJFWSA-N 1 2 371.821 2.314 20 5 FEBDLO O=C(NCCNc1cccc[nH+]1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000481898070 561244942 /nfs/dbraw/zinc/24/49/42/561244942.db2.gz HBCVWXVGNLZDQW-UHFFFAOYSA-N 1 2 352.354 2.017 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000483936598 561287335 /nfs/dbraw/zinc/28/73/35/561287335.db2.gz ARMGMWCILOUCST-XHDPSFHLSA-N 1 2 352.366 2.061 20 5 FEBDLO Cc1ccc([C@@H]2C[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000182254599 547461901 /nfs/dbraw/zinc/46/19/01/547461901.db2.gz UGRHGMSFECVNKB-KSSFIOAISA-N 1 2 362.382 2.309 20 5 FEBDLO Cc1ccc([C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000182254599 547461905 /nfs/dbraw/zinc/46/19/05/547461905.db2.gz UGRHGMSFECVNKB-KSSFIOAISA-N 1 2 362.382 2.309 20 5 FEBDLO C[C@@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@H]1n1cc[nH+]c1 ZINC000182397602 547484861 /nfs/dbraw/zinc/48/48/61/547484861.db2.gz FEWNJMRVHBQUGM-BXUZGUMPSA-N 1 2 358.354 2.243 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000183265472 547630487 /nfs/dbraw/zinc/63/04/87/547630487.db2.gz UETKQEVLTWMQJK-KRWDZBQOSA-N 1 2 374.485 2.422 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000183265472 547630493 /nfs/dbraw/zinc/63/04/93/547630493.db2.gz UETKQEVLTWMQJK-KRWDZBQOSA-N 1 2 374.485 2.422 20 5 FEBDLO COc1cc(CN2CCC[C@H]2C[NH+]2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184224142 547790285 /nfs/dbraw/zinc/79/02/85/547790285.db2.gz PRKRVNUGLXEPKJ-AWEZNQCLSA-N 1 2 353.394 2.039 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000485420933 561318811 /nfs/dbraw/zinc/31/88/11/561318811.db2.gz NJIXKVTUMVGYQS-MRXNPFEDSA-N 1 2 373.413 2.338 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000485420933 561318812 /nfs/dbraw/zinc/31/88/12/561318812.db2.gz NJIXKVTUMVGYQS-MRXNPFEDSA-N 1 2 373.413 2.338 20 5 FEBDLO C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2cn3ccccc3[nH+]2)C1=O ZINC000192803385 548373987 /nfs/dbraw/zinc/37/39/87/548373987.db2.gz IJCISRDPNQXWFL-SFHVURJKSA-N 1 2 365.349 2.210 20 5 FEBDLO O=C1CCCCN1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000194021544 548423894 /nfs/dbraw/zinc/42/38/94/548423894.db2.gz AJMLLMOKPMKRPV-UHFFFAOYSA-N 1 2 362.386 2.480 20 5 FEBDLO CN1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccc[nH+]c21 ZINC000487113623 561364133 /nfs/dbraw/zinc/36/41/33/561364133.db2.gz MQWJEVYJNXHVPN-UHFFFAOYSA-N 1 2 368.802 2.288 20 5 FEBDLO Cc1ccn2cc(CNC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)[nH+]c2c1 ZINC000487740125 561374845 /nfs/dbraw/zinc/37/48/45/561374845.db2.gz DHQIIEAQECJAKJ-UHFFFAOYSA-N 1 2 354.322 2.210 20 5 FEBDLO C[C@H]1C[C@H]1[N@@H+]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488747023 561395884 /nfs/dbraw/zinc/39/58/84/561395884.db2.gz NSEXCBCFGJSGEX-SDDRHHMPSA-N 1 2 373.500 2.226 20 5 FEBDLO C[C@H]1C[C@H]1[N@H+]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488747023 561395885 /nfs/dbraw/zinc/39/58/85/561395885.db2.gz NSEXCBCFGJSGEX-SDDRHHMPSA-N 1 2 373.500 2.226 20 5 FEBDLO O=C(C[N@@H+]1CCS[C@H]2COCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000246735728 549200396 /nfs/dbraw/zinc/20/03/96/549200396.db2.gz GKQLGKUVBQVGRJ-KGLIPLIRSA-N 1 2 371.846 2.393 20 5 FEBDLO O=C(C[N@H+]1CCS[C@H]2COCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000246735728 549200397 /nfs/dbraw/zinc/20/03/97/549200397.db2.gz GKQLGKUVBQVGRJ-KGLIPLIRSA-N 1 2 371.846 2.393 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000251512485 549647422 /nfs/dbraw/zinc/64/74/22/549647422.db2.gz CFHMJBKJNNYLBF-WBMJQRKESA-N 1 2 351.403 2.289 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000251512485 549647425 /nfs/dbraw/zinc/64/74/25/549647425.db2.gz CFHMJBKJNNYLBF-WBMJQRKESA-N 1 2 351.403 2.289 20 5 FEBDLO C[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1n1cc[nH+]c1 ZINC000268395915 550059147 /nfs/dbraw/zinc/05/91/47/550059147.db2.gz SBBCINHAMCKMNO-DOMZBBRYSA-N 1 2 372.381 2.286 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000269600708 550209562 /nfs/dbraw/zinc/20/95/62/550209562.db2.gz PLTNADBGYBKCQT-INIZCTEOSA-N 1 2 359.382 2.207 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000269600708 550209563 /nfs/dbraw/zinc/20/95/63/550209563.db2.gz PLTNADBGYBKCQT-INIZCTEOSA-N 1 2 359.382 2.207 20 5 FEBDLO COc1ccc(OC)c2c1C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]2O ZINC000269656865 550214419 /nfs/dbraw/zinc/21/44/19/550214419.db2.gz OTMLPMNKQGSOGF-CVEARBPZSA-N 1 2 374.393 2.195 20 5 FEBDLO COc1ccc(OC)c2c1C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]2O ZINC000269656865 550214420 /nfs/dbraw/zinc/21/44/20/550214420.db2.gz OTMLPMNKQGSOGF-CVEARBPZSA-N 1 2 374.393 2.195 20 5 FEBDLO COc1cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc([N+](=O)[O-])c1OC ZINC000269878547 550233070 /nfs/dbraw/zinc/23/30/70/550233070.db2.gz WOYJKRSSXZAGJO-CYBMUJFWSA-N 1 2 372.381 2.016 20 5 FEBDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000270078105 550247681 /nfs/dbraw/zinc/24/76/81/550247681.db2.gz JBUTXDXVNYBCQF-AWEZNQCLSA-N 1 2 368.397 2.141 20 5 FEBDLO COC(=O)CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC(OC)OC ZINC000274362026 550534506 /nfs/dbraw/zinc/53/45/06/550534506.db2.gz ZURJAFJLUGSJQE-UHFFFAOYSA-N 1 2 360.794 2.232 20 5 FEBDLO COC(=O)CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC(OC)OC ZINC000274362026 550534507 /nfs/dbraw/zinc/53/45/07/550534507.db2.gz ZURJAFJLUGSJQE-UHFFFAOYSA-N 1 2 360.794 2.232 20 5 FEBDLO COCC[NH+]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000275598613 550573246 /nfs/dbraw/zinc/57/32/46/550573246.db2.gz SDPURVUHJJHAOA-UHFFFAOYSA-N 1 2 365.433 2.498 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000277014357 550622045 /nfs/dbraw/zinc/62/20/45/550622045.db2.gz YQRVNICYYUIQNT-NSHDSACASA-N 1 2 372.381 2.089 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000277014357 550622047 /nfs/dbraw/zinc/62/20/47/550622047.db2.gz YQRVNICYYUIQNT-NSHDSACASA-N 1 2 372.381 2.089 20 5 FEBDLO CN(Cc1[nH+]ccn1C)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000277958525 550733086 /nfs/dbraw/zinc/73/30/86/550733086.db2.gz UBLMSHNCNKUQAU-UHFFFAOYSA-N 1 2 359.205 2.425 20 5 FEBDLO Cc1nc(N2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000278458318 550788573 /nfs/dbraw/zinc/78/85/73/550788573.db2.gz SLPZBRKLBQRLNR-UHFFFAOYSA-N 1 2 368.319 2.434 20 5 FEBDLO CCOc1cc(N2CC[NH+](C[C@H](O)C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000280332840 550981840 /nfs/dbraw/zinc/98/18/40/550981840.db2.gz ZYKMAHZAJWKDGA-AWEZNQCLSA-N 1 2 363.336 2.039 20 5 FEBDLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@]2(CCOC2)O1 ZINC000280505148 551001558 /nfs/dbraw/zinc/00/15/58/551001558.db2.gz NGONGFLDYMIEFM-SJCJKPOMSA-N 1 2 360.370 2.025 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@]2(CCOC2)O1 ZINC000280505148 551001560 /nfs/dbraw/zinc/00/15/60/551001560.db2.gz NGONGFLDYMIEFM-SJCJKPOMSA-N 1 2 360.370 2.025 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCN1C ZINC000280518355 551002754 /nfs/dbraw/zinc/00/27/54/551002754.db2.gz QNNSWSNGYULLDA-GFCCVEGCSA-N 1 2 370.335 2.235 20 5 FEBDLO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])[C@H](C)C1 ZINC000280893101 551043037 /nfs/dbraw/zinc/04/30/37/551043037.db2.gz GWZPDQSQJJGMKS-HIFRSBDPSA-N 1 2 365.430 2.167 20 5 FEBDLO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])[C@H](C)C1 ZINC000280893101 551043038 /nfs/dbraw/zinc/04/30/38/551043038.db2.gz GWZPDQSQJJGMKS-HIFRSBDPSA-N 1 2 365.430 2.167 20 5 FEBDLO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000280893104 551043181 /nfs/dbraw/zinc/04/31/81/551043181.db2.gz GWZPDQSQJJGMKS-ZFWWWQNUSA-N 1 2 365.430 2.167 20 5 FEBDLO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000280893104 551043183 /nfs/dbraw/zinc/04/31/83/551043183.db2.gz GWZPDQSQJJGMKS-ZFWWWQNUSA-N 1 2 365.430 2.167 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000280966095 551050004 /nfs/dbraw/zinc/05/00/04/551050004.db2.gz LMKMGLBFYVAFAO-UHFFFAOYSA-N 1 2 357.370 2.384 20 5 FEBDLO COC(=O)[C@]1(C)C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000282268261 551204169 /nfs/dbraw/zinc/20/41/69/551204169.db2.gz DEIVOVYRILBUSJ-QLJPJBMISA-N 1 2 369.805 2.318 20 5 FEBDLO COC(=O)[C@]1(C)C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000282268261 551204171 /nfs/dbraw/zinc/20/41/71/551204171.db2.gz DEIVOVYRILBUSJ-QLJPJBMISA-N 1 2 369.805 2.318 20 5 FEBDLO CC(C)(C)n1ncnc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000282652729 551256145 /nfs/dbraw/zinc/25/61/45/551256145.db2.gz LHHCOFFKLNGKKH-UHFFFAOYSA-N 1 2 369.385 2.057 20 5 FEBDLO CC(C)(C)n1ncnc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000283104032 551312413 /nfs/dbraw/zinc/31/24/13/551312413.db2.gz TZBCBNHSBFWWQH-UHFFFAOYSA-N 1 2 355.358 2.379 20 5 FEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C[C@@H]1C ZINC000497963210 561512436 /nfs/dbraw/zinc/51/24/36/561512436.db2.gz ATPDZARMXIWDRO-QWHCGFSZSA-N 1 2 355.460 2.315 20 5 FEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C[C@@H]1C ZINC000497963210 561512437 /nfs/dbraw/zinc/51/24/37/561512437.db2.gz ATPDZARMXIWDRO-QWHCGFSZSA-N 1 2 355.460 2.315 20 5 FEBDLO Cc1cc(F)c(NC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000283832507 551434879 /nfs/dbraw/zinc/43/48/79/551434879.db2.gz GXTKQHUGEPPWHB-UHFFFAOYSA-N 1 2 354.382 2.275 20 5 FEBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C[C@H]21 ZINC000283986600 551462331 /nfs/dbraw/zinc/46/23/31/551462331.db2.gz HPVSXRGGNCTWQB-ZIAGYGMSSA-N 1 2 361.423 2.355 20 5 FEBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C[C@H]21 ZINC000283986600 551462332 /nfs/dbraw/zinc/46/23/32/551462332.db2.gz HPVSXRGGNCTWQB-ZIAGYGMSSA-N 1 2 361.423 2.355 20 5 FEBDLO CS(=O)(=O)c1ccc(N2CC[NH+](CCCCCF)CC2)c([N+](=O)[O-])c1 ZINC000284312098 551521574 /nfs/dbraw/zinc/52/15/74/551521574.db2.gz ZXOICZDSNJAYDY-UHFFFAOYSA-N 1 2 373.450 2.260 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000286236011 551864463 /nfs/dbraw/zinc/86/44/63/551864463.db2.gz DYYJUCKWDNGPMR-QWRGUYRKSA-N 1 2 359.473 2.123 20 5 FEBDLO CC[N@@H+]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000286461800 551888192 /nfs/dbraw/zinc/88/81/92/551888192.db2.gz VBIIEZRTVVGJFN-SNVBAGLBSA-N 1 2 363.386 2.122 20 5 FEBDLO CC[N@H+]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000286461800 551888194 /nfs/dbraw/zinc/88/81/94/551888194.db2.gz VBIIEZRTVVGJFN-SNVBAGLBSA-N 1 2 363.386 2.122 20 5 FEBDLO Cc1nc(N2CCN(c3ncnc4sc([N+](=O)[O-])cc43)CC2)cc[nH+]1 ZINC000287042027 551955325 /nfs/dbraw/zinc/95/53/25/551955325.db2.gz WPFWIUWVFUBBLL-UHFFFAOYSA-N 1 2 357.399 2.025 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000287172266 551972658 /nfs/dbraw/zinc/97/26/58/551972658.db2.gz HAMPPHUGGOQLGA-QWHCGFSZSA-N 1 2 365.455 2.252 20 5 FEBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000288110795 552093467 /nfs/dbraw/zinc/09/34/67/552093467.db2.gz KQEHOCNKPFEKJW-LBPRGKRZSA-N 1 2 360.418 2.352 20 5 FEBDLO CC1(C)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1[C@@H]1CCCO1 ZINC000289795902 552379741 /nfs/dbraw/zinc/37/97/41/552379741.db2.gz NMXUOBVUIILDLK-FUHWJXTLSA-N 1 2 359.426 2.373 20 5 FEBDLO CC1(C)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1[C@@H]1CCCO1 ZINC000289795902 552379743 /nfs/dbraw/zinc/37/97/43/552379743.db2.gz NMXUOBVUIILDLK-FUHWJXTLSA-N 1 2 359.426 2.373 20 5 FEBDLO CC(C)(NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000291897197 552672754 /nfs/dbraw/zinc/67/27/54/552672754.db2.gz POMJPOWYULEMAY-UHFFFAOYSA-N 1 2 364.446 2.240 20 5 FEBDLO CC(C)(NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000291897197 552672755 /nfs/dbraw/zinc/67/27/55/552672755.db2.gz POMJPOWYULEMAY-UHFFFAOYSA-N 1 2 364.446 2.240 20 5 FEBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCn2c[nH+]cc2C1 ZINC000292094671 552693278 /nfs/dbraw/zinc/69/32/78/552693278.db2.gz OCXXUUYLFFBAEZ-UHFFFAOYSA-N 1 2 350.762 2.256 20 5 FEBDLO C[C@@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000292216925 552705425 /nfs/dbraw/zinc/70/54/25/552705425.db2.gz HTZYOQNCEQWBHJ-ZIAGYGMSSA-N 1 2 364.446 2.238 20 5 FEBDLO COc1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c([N+](=O)[O-])cc1F ZINC000294400144 552903229 /nfs/dbraw/zinc/90/32/29/552903229.db2.gz JEKLSFGYMSAPLQ-UHFFFAOYSA-N 1 2 366.374 2.439 20 5 FEBDLO COc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c([N+](=O)[O-])cc1F ZINC000294400144 552903230 /nfs/dbraw/zinc/90/32/30/552903230.db2.gz JEKLSFGYMSAPLQ-UHFFFAOYSA-N 1 2 366.374 2.439 20 5 FEBDLO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000294895584 552942203 /nfs/dbraw/zinc/94/22/03/552942203.db2.gz WVVCTDCCPNSNBL-VWLOTQADSA-N 1 2 368.455 2.179 20 5 FEBDLO Cc1cc(Cl)c(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000295254520 552976674 /nfs/dbraw/zinc/97/66/74/552976674.db2.gz KSXFJBFCXCHLFT-OLZOCXBDSA-N 1 2 367.833 2.492 20 5 FEBDLO CCn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000295735785 553052363 /nfs/dbraw/zinc/05/23/63/553052363.db2.gz LXKPPQGQJUSBFO-UHFFFAOYSA-N 1 2 364.427 2.480 20 5 FEBDLO COc1ccc(OC)c(C[NH+]2CCN(c3ncc([N+](=O)[O-])c(C)n3)CC2)c1 ZINC000296279431 553134386 /nfs/dbraw/zinc/13/43/86/553134386.db2.gz HGMZLEXNSQPSQR-UHFFFAOYSA-N 1 2 373.413 2.033 20 5 FEBDLO COC(=O)Cc1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000297411757 553289046 /nfs/dbraw/zinc/28/90/46/553289046.db2.gz GKWOZNVUXJJJIK-CQSZACIVSA-N 1 2 356.382 2.396 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000297444257 553292925 /nfs/dbraw/zinc/29/29/25/553292925.db2.gz OMQQVBFJVNISIQ-GFCCVEGCSA-N 1 2 366.418 2.378 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000297444257 553292926 /nfs/dbraw/zinc/29/29/26/553292926.db2.gz OMQQVBFJVNISIQ-GFCCVEGCSA-N 1 2 366.418 2.378 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000298471475 553428714 /nfs/dbraw/zinc/42/87/14/553428714.db2.gz CHXKHNKIUNJONR-VIFPVBQESA-N 1 2 358.807 2.120 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000298471470 553428974 /nfs/dbraw/zinc/42/89/74/553428974.db2.gz CHXKHNKIUNJONR-SECBINFHSA-N 1 2 358.807 2.120 20 5 FEBDLO CC(C)C(=O)NC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000298583008 553444197 /nfs/dbraw/zinc/44/41/97/553444197.db2.gz VOUWFLCDQXANGM-UHFFFAOYSA-N 1 2 373.413 2.381 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000298800181 553474766 /nfs/dbraw/zinc/47/47/66/553474766.db2.gz NNJFDOIHZUTORP-NXEZZACHSA-N 1 2 355.778 2.070 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000298800181 553474767 /nfs/dbraw/zinc/47/47/67/553474767.db2.gz NNJFDOIHZUTORP-NXEZZACHSA-N 1 2 355.778 2.070 20 5 FEBDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301197449 553629961 /nfs/dbraw/zinc/62/99/61/553629961.db2.gz OASUJVISIXFLJM-CYBMUJFWSA-N 1 2 364.421 2.303 20 5 FEBDLO O=C1COc2cc([N+](=O)[O-])c(NC3CCN(c4cccc[nH+]4)CC3)cc2N1 ZINC000301617143 553666187 /nfs/dbraw/zinc/66/61/87/553666187.db2.gz KHCNVKYHLNZGIE-UHFFFAOYSA-N 1 2 369.381 2.402 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000301944317 553693518 /nfs/dbraw/zinc/69/35/18/553693518.db2.gz ZFHROKYXLQKTMT-LLVKDONJSA-N 1 2 369.424 2.113 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000302109009 553704604 /nfs/dbraw/zinc/70/46/04/553704604.db2.gz STYXCSGTHZHRRB-UHFFFAOYSA-N 1 2 356.382 2.099 20 5 FEBDLO CCOC(=O)c1ccnc(N2CCCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000302210861 553710826 /nfs/dbraw/zinc/71/08/26/553710826.db2.gz GQSMFJMPPDSVGK-UHFFFAOYSA-N 1 2 371.397 2.278 20 5 FEBDLO O=C1CCc2cc([N+](=O)[O-])c(N3CCC([C@@H](O)c4[nH]cc[nH+]4)CC3)cc2N1 ZINC000302786747 553732694 /nfs/dbraw/zinc/73/26/94/553732694.db2.gz WGZUJEWXXYKPHE-QGZVFWFLSA-N 1 2 371.397 2.153 20 5 FEBDLO COC(=O)c1cnc(NC2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000302787370 553732980 /nfs/dbraw/zinc/73/29/80/553732980.db2.gz XAPDHZICPVMVRQ-UHFFFAOYSA-N 1 2 357.370 2.252 20 5 FEBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000508066539 561749818 /nfs/dbraw/zinc/74/98/18/561749818.db2.gz CMIBWXZHEJUJFG-UHFFFAOYSA-N 1 2 373.394 2.177 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000331470065 554269788 /nfs/dbraw/zinc/26/97/88/554269788.db2.gz FHTZYOCAHSYPQV-GOSISDBHSA-N 1 2 363.414 2.112 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000331470065 554269789 /nfs/dbraw/zinc/26/97/89/554269789.db2.gz FHTZYOCAHSYPQV-GOSISDBHSA-N 1 2 363.414 2.112 20 5 FEBDLO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1cccc(S(N)(=O)=O)c1 ZINC000508993170 561780616 /nfs/dbraw/zinc/78/06/16/561780616.db2.gz XWXUSVUJCHGBPE-SECBINFHSA-N 1 2 371.365 2.371 20 5 FEBDLO CC[C@@H]1C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@]2(CCOC2)O1 ZINC000331506077 554276822 /nfs/dbraw/zinc/27/68/22/554276822.db2.gz IIMVMIQJBGEDMI-CRAIPNDOSA-N 1 2 363.414 2.112 20 5 FEBDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@]2(CCOC2)O1 ZINC000331506077 554276824 /nfs/dbraw/zinc/27/68/24/554276824.db2.gz IIMVMIQJBGEDMI-CRAIPNDOSA-N 1 2 363.414 2.112 20 5 FEBDLO Cc1cc(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332518022 554460772 /nfs/dbraw/zinc/46/07/72/554460772.db2.gz KUKJUYPQSFJUGI-CABCVRRESA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1cc(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332518022 554460777 /nfs/dbraw/zinc/46/07/77/554460777.db2.gz KUKJUYPQSFJUGI-CABCVRRESA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c1 ZINC000332555493 554471073 /nfs/dbraw/zinc/47/10/73/554471073.db2.gz SMGXILMRAIPXDQ-ZFWWWQNUSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)c1 ZINC000332555493 554471075 /nfs/dbraw/zinc/47/10/75/554471075.db2.gz SMGXILMRAIPXDQ-ZFWWWQNUSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)c1C ZINC000510434462 561834544 /nfs/dbraw/zinc/83/45/44/561834544.db2.gz DMOXMVHFSFPORF-CQSZACIVSA-N 1 2 364.427 2.375 20 5 FEBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000511104166 561857094 /nfs/dbraw/zinc/85/70/94/561857094.db2.gz AQRWLFJOIUVDAW-UHFFFAOYSA-N 1 2 374.422 2.091 20 5 FEBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000511104166 561857095 /nfs/dbraw/zinc/85/70/95/561857095.db2.gz AQRWLFJOIUVDAW-UHFFFAOYSA-N 1 2 374.422 2.091 20 5 FEBDLO CCCCNC(=O)Cc1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000351086816 554835704 /nfs/dbraw/zinc/83/57/04/554835704.db2.gz ZUAULKSDSRNCPU-UHFFFAOYSA-N 1 2 370.369 2.289 20 5 FEBDLO C[NH+](C)CCOc1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000511482433 561870485 /nfs/dbraw/zinc/87/04/85/561870485.db2.gz PFTXVJVJJOXCDY-UHFFFAOYSA-N 1 2 359.382 2.171 20 5 FEBDLO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1SC ZINC000361277617 554913950 /nfs/dbraw/zinc/91/39/50/554913950.db2.gz CQJAOVAVOWREJA-SECBINFHSA-N 1 2 362.411 2.336 20 5 FEBDLO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1SC ZINC000361277617 554913951 /nfs/dbraw/zinc/91/39/51/554913951.db2.gz CQJAOVAVOWREJA-SECBINFHSA-N 1 2 362.411 2.336 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC000363455053 555109958 /nfs/dbraw/zinc/10/99/58/555109958.db2.gz ALOBXQUDDJNIHB-ZDUSSCGKSA-N 1 2 374.441 2.303 20 5 FEBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363546915 555133842 /nfs/dbraw/zinc/13/38/42/555133842.db2.gz SGQXGYXJXZCWEA-UKRRQHHQSA-N 1 2 365.455 2.009 20 5 FEBDLO Nc1ncnc2sc3c(c21)CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C3 ZINC000364079186 555245764 /nfs/dbraw/zinc/24/57/64/555245764.db2.gz KRUPCADRNQLJRU-ZDUSSCGKSA-N 1 2 371.422 2.273 20 5 FEBDLO Nc1ncnc2sc3c(c21)CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C3 ZINC000364079186 555245765 /nfs/dbraw/zinc/24/57/65/555245765.db2.gz KRUPCADRNQLJRU-ZDUSSCGKSA-N 1 2 371.422 2.273 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000364327995 555292116 /nfs/dbraw/zinc/29/21/16/555292116.db2.gz LGHGFJVWIYIIAH-UHFFFAOYSA-N 1 2 363.414 2.435 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCOCC2(CCCC2)C1 ZINC000364327995 555292117 /nfs/dbraw/zinc/29/21/17/555292117.db2.gz LGHGFJVWIYIIAH-UHFFFAOYSA-N 1 2 363.414 2.435 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(Oc2cnccn2)CC1 ZINC000365853137 555683629 /nfs/dbraw/zinc/68/36/29/555683629.db2.gz MLDVEWFURKVWTN-ZDUSSCGKSA-N 1 2 371.397 2.255 20 5 FEBDLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000366248030 555792184 /nfs/dbraw/zinc/79/21/84/555792184.db2.gz GVPTYHIHFLOLPM-RDTXWAMCSA-N 1 2 366.414 2.382 20 5 FEBDLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000366248030 555792185 /nfs/dbraw/zinc/79/21/85/555792185.db2.gz GVPTYHIHFLOLPM-RDTXWAMCSA-N 1 2 366.414 2.382 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366372511 555825464 /nfs/dbraw/zinc/82/54/64/555825464.db2.gz CTEOCIPVNQINDW-CQSZACIVSA-N 1 2 356.444 2.393 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366372511 555825467 /nfs/dbraw/zinc/82/54/67/555825467.db2.gz CTEOCIPVNQINDW-CQSZACIVSA-N 1 2 356.444 2.393 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@](F)(c3cccc(Cl)c3)C2)c1 ZINC000366981815 555988505 /nfs/dbraw/zinc/98/85/05/555988505.db2.gz LFKYUGOLHYQRAL-HOTGVXAUSA-N 1 2 368.796 2.376 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@](F)(c3cccc(Cl)c3)C2)c1 ZINC000366981815 555988506 /nfs/dbraw/zinc/98/85/06/555988506.db2.gz LFKYUGOLHYQRAL-HOTGVXAUSA-N 1 2 368.796 2.376 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000367015052 555997894 /nfs/dbraw/zinc/99/78/94/555997894.db2.gz HYAVHJQUNXYMNQ-QGZVFWFLSA-N 1 2 365.434 2.304 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000367015052 555997897 /nfs/dbraw/zinc/99/78/97/555997897.db2.gz HYAVHJQUNXYMNQ-QGZVFWFLSA-N 1 2 365.434 2.304 20 5 FEBDLO NS(=O)(=O)c1c(NCc2cccc(-c3[nH]cc[nH+]3)c2)cccc1[N+](=O)[O-] ZINC000514686937 561974037 /nfs/dbraw/zinc/97/40/37/561974037.db2.gz ORXCCTYDSGPJQD-UHFFFAOYSA-N 1 2 373.394 2.244 20 5 FEBDLO COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)c2[nH+]ccn2C)cc1 ZINC000514714644 561975616 /nfs/dbraw/zinc/97/56/16/561975616.db2.gz WFHITDUUPVHQLP-INIZCTEOSA-N 1 2 369.381 2.195 20 5 FEBDLO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000367663220 556108607 /nfs/dbraw/zinc/10/86/07/556108607.db2.gz DLTHBDDLJZUECW-HNNXBMFYSA-N 1 2 357.366 2.096 20 5 FEBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000368017696 556196553 /nfs/dbraw/zinc/19/65/53/556196553.db2.gz FUYMDMCCCLUFSZ-UHFFFAOYSA-N 1 2 361.427 2.028 20 5 FEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000368148819 556230747 /nfs/dbraw/zinc/23/07/47/556230747.db2.gz PWLDECQXOBQLNB-FUHWJXTLSA-N 1 2 361.442 2.097 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368427385 556305657 /nfs/dbraw/zinc/30/56/57/556305657.db2.gz UKGPXMKGLISIOZ-INIZCTEOSA-N 1 2 366.381 2.454 20 5 FEBDLO CC1(C)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@]2(CCOC2)O1 ZINC000368447456 556312188 /nfs/dbraw/zinc/31/21/88/556312188.db2.gz RUDCXQLRMAJDRL-GOSISDBHSA-N 1 2 374.397 2.415 20 5 FEBDLO CC1(C)C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@]2(CCOC2)O1 ZINC000368447456 556312190 /nfs/dbraw/zinc/31/21/90/556312190.db2.gz RUDCXQLRMAJDRL-GOSISDBHSA-N 1 2 374.397 2.415 20 5 FEBDLO O=C(NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000368858957 556431312 /nfs/dbraw/zinc/43/13/12/556431312.db2.gz KNNWWVPZXWMCOJ-IAGOWNOFSA-N 1 2 370.409 2.087 20 5 FEBDLO O=C(NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000368858959 556431534 /nfs/dbraw/zinc/43/15/34/556431534.db2.gz KNNWWVPZXWMCOJ-SJORKVTESA-N 1 2 370.409 2.087 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NC1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000368897414 556441983 /nfs/dbraw/zinc/44/19/83/556441983.db2.gz ZERQSCNMPGEHDW-UHFFFAOYSA-N 1 2 371.397 2.101 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000370035769 556763595 /nfs/dbraw/zinc/76/35/95/556763595.db2.gz GWNMMZFKDUAJQC-UHFFFAOYSA-N 1 2 361.377 2.318 20 5 FEBDLO O=C1OCCC12CC[NH+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)CC2 ZINC000370086903 556776830 /nfs/dbraw/zinc/77/68/30/556776830.db2.gz MHDPIIUXRVOTMK-UHFFFAOYSA-N 1 2 358.354 2.174 20 5 FEBDLO Cc1cc(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3C)CC2)nc[nH+]1 ZINC000370272592 556826902 /nfs/dbraw/zinc/82/69/02/556826902.db2.gz JPGPOMGQYUJCAD-UHFFFAOYSA-N 1 2 355.398 2.400 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000370349426 556847370 /nfs/dbraw/zinc/84/73/70/556847370.db2.gz QIWJGXBCEJUAGO-HOTGVXAUSA-N 1 2 352.387 2.016 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000370349426 556847374 /nfs/dbraw/zinc/84/73/74/556847374.db2.gz QIWJGXBCEJUAGO-HOTGVXAUSA-N 1 2 352.387 2.016 20 5 FEBDLO Cc1sc(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000370545774 556904823 /nfs/dbraw/zinc/90/48/23/556904823.db2.gz IFHPRXRRPWPNLO-QWHCGFSZSA-N 1 2 353.444 2.338 20 5 FEBDLO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(F)c2F)C[C@@H]1[NH+]1CCOCC1 ZINC000371061079 557061969 /nfs/dbraw/zinc/06/19/69/557061969.db2.gz DNNJPKLZBWMANQ-ABAIWWIYSA-N 1 2 369.368 2.056 20 5 FEBDLO C[C@H](C(=O)NCc1cccs1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372281462 557428637 /nfs/dbraw/zinc/42/86/37/557428637.db2.gz ITDXIZVHQXXOLT-OLZOCXBDSA-N 1 2 363.443 2.195 20 5 FEBDLO C[C@H](C(=O)NCc1cccs1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372281462 557428640 /nfs/dbraw/zinc/42/86/40/557428640.db2.gz ITDXIZVHQXXOLT-OLZOCXBDSA-N 1 2 363.443 2.195 20 5 FEBDLO COc1cc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)c([N+](=O)[O-])cc1F ZINC000372519830 557491066 /nfs/dbraw/zinc/49/10/66/557491066.db2.gz BSBIVPMVHMAHOG-ZBINZKHDSA-N 1 2 351.378 2.361 20 5 FEBDLO COc1cc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)c([N+](=O)[O-])cc1F ZINC000372519830 557491071 /nfs/dbraw/zinc/49/10/71/557491071.db2.gz BSBIVPMVHMAHOG-ZBINZKHDSA-N 1 2 351.378 2.361 20 5 FEBDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000372856149 557576213 /nfs/dbraw/zinc/57/62/13/557576213.db2.gz IBTXGZCYYAPMSP-GOEBONIOSA-N 1 2 362.336 2.443 20 5 FEBDLO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000372856149 557576214 /nfs/dbraw/zinc/57/62/14/557576214.db2.gz IBTXGZCYYAPMSP-GOEBONIOSA-N 1 2 362.336 2.443 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000374000884 557805113 /nfs/dbraw/zinc/80/51/13/557805113.db2.gz FZDJFBLDWMAJJO-UHFFFAOYSA-N 1 2 372.429 2.012 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCOC[C@H]2c2ccccc2)c1 ZINC000374119917 557826977 /nfs/dbraw/zinc/82/69/77/557826977.db2.gz NNWVAIXUFGSOMI-MJGOQNOKSA-N 1 2 358.394 2.408 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCOC[C@H]2c2ccccc2)c1 ZINC000374119917 557826978 /nfs/dbraw/zinc/82/69/78/557826978.db2.gz NNWVAIXUFGSOMI-MJGOQNOKSA-N 1 2 358.394 2.408 20 5 FEBDLO Cc1c(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000374333510 557867529 /nfs/dbraw/zinc/86/75/29/557867529.db2.gz RGXIPNVMDKODKG-LBPRGKRZSA-N 1 2 373.369 2.483 20 5 FEBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000374807201 557934523 /nfs/dbraw/zinc/93/45/23/557934523.db2.gz ANKUETDMMDTVJE-HNNXBMFYSA-N 1 2 362.336 2.242 20 5 FEBDLO O=C1NC[C@]2(CCC[N@@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)O1 ZINC000375556013 558047651 /nfs/dbraw/zinc/04/76/51/558047651.db2.gz DEHFUZJPIREICI-AWEZNQCLSA-N 1 2 370.203 2.432 20 5 FEBDLO O=C1NC[C@]2(CCC[N@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)O1 ZINC000375556013 558047653 /nfs/dbraw/zinc/04/76/53/558047653.db2.gz DEHFUZJPIREICI-AWEZNQCLSA-N 1 2 370.203 2.432 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000375948874 558103948 /nfs/dbraw/zinc/10/39/48/558103948.db2.gz QZWPQAXVBZPOTL-JTQLQIEISA-N 1 2 372.410 2.353 20 5 FEBDLO O=[N+]([O-])c1ccc2c(c1NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cncnc1)CCN2 ZINC000376471998 558177725 /nfs/dbraw/zinc/17/77/25/558177725.db2.gz BZWBOHRNAWAWFL-KBPBESRZSA-N 1 2 372.404 2.377 20 5 FEBDLO O=[N+]([O-])c1ccc2c(c1NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cncnc1)CCN2 ZINC000376471998 558177726 /nfs/dbraw/zinc/17/77/26/558177726.db2.gz BZWBOHRNAWAWFL-KBPBESRZSA-N 1 2 372.404 2.377 20 5 FEBDLO Cc1cccn2cc(CC(=O)NCCNc3ccccc3[N+](=O)[O-])[nH+]c12 ZINC000522961576 562206431 /nfs/dbraw/zinc/20/64/31/562206431.db2.gz GKKTYCUWAZIQTC-UHFFFAOYSA-N 1 2 353.382 2.322 20 5 FEBDLO COc1cc(OCC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000378077088 558475423 /nfs/dbraw/zinc/47/54/23/558475423.db2.gz MAEVGGYYALELPX-UHFFFAOYSA-N 1 2 360.370 2.112 20 5 FEBDLO COc1cc(OCC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000378077088 558475426 /nfs/dbraw/zinc/47/54/26/558475426.db2.gz MAEVGGYYALELPX-UHFFFAOYSA-N 1 2 360.370 2.112 20 5 FEBDLO CC(C)(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)n1cc([N+](=O)[O-])cn1 ZINC000523284816 562210401 /nfs/dbraw/zinc/21/04/01/562210401.db2.gz GFPNBMWEVLFONV-UHFFFAOYSA-N 1 2 368.397 2.088 20 5 FEBDLO Cc1cc(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000408183648 558654673 /nfs/dbraw/zinc/65/46/73/558654673.db2.gz SYDCVBIFLXOURD-ZIAGYGMSSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1cc(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000408183648 558654676 /nfs/dbraw/zinc/65/46/76/558654676.db2.gz SYDCVBIFLXOURD-ZIAGYGMSSA-N 1 2 353.444 2.151 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000411937290 558991533 /nfs/dbraw/zinc/99/15/33/558991533.db2.gz JBFAVEFJPJKXMH-RHSMWYFYSA-N 1 2 371.393 2.350 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000411937290 558991535 /nfs/dbraw/zinc/99/15/35/558991535.db2.gz JBFAVEFJPJKXMH-RHSMWYFYSA-N 1 2 371.393 2.350 20 5 FEBDLO CN(Cc1noc(C2CC2)n1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000412947649 559066339 /nfs/dbraw/zinc/06/63/39/559066339.db2.gz ASOLQIPLAFQTPD-UHFFFAOYSA-N 1 2 368.353 2.313 20 5 FEBDLO O=[N+]([O-])c1cnc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c(F)c1 ZINC000413269353 559094198 /nfs/dbraw/zinc/09/41/98/559094198.db2.gz NIFAELKLIPNCAB-SJORKVTESA-N 1 2 358.373 2.219 20 5 FEBDLO O=[N+]([O-])c1cnc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c(F)c1 ZINC000413269353 559094199 /nfs/dbraw/zinc/09/41/99/559094199.db2.gz NIFAELKLIPNCAB-SJORKVTESA-N 1 2 358.373 2.219 20 5 FEBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000413790096 559130532 /nfs/dbraw/zinc/13/05/32/559130532.db2.gz ZPHZEOHBHZCVKK-KSZLIROESA-N 1 2 352.394 2.266 20 5 FEBDLO CCN1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000421881016 559555388 /nfs/dbraw/zinc/55/53/88/559555388.db2.gz ZCHWNULUOGYFGU-MRXNPFEDSA-N 1 2 357.414 2.454 20 5 FEBDLO CC[C@H]1C[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000427740941 559761366 /nfs/dbraw/zinc/76/13/66/559761366.db2.gz KUQNNHAEHIMUMR-AWEZNQCLSA-N 1 2 355.822 2.018 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000427740941 559761367 /nfs/dbraw/zinc/76/13/67/559761367.db2.gz KUQNNHAEHIMUMR-AWEZNQCLSA-N 1 2 355.822 2.018 20 5 FEBDLO CC(C)CCC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000428927679 559786116 /nfs/dbraw/zinc/78/61/16/559786116.db2.gz FVKYEBKCUZDTOQ-UHFFFAOYSA-N 1 2 355.460 2.337 20 5 FEBDLO O=C(NC1CC1)[C@@H](O)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000434709663 559907096 /nfs/dbraw/zinc/90/70/96/559907096.db2.gz HMFNGCAZCVJGOY-INIZCTEOSA-N 1 2 367.833 2.100 20 5 FEBDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000438143426 559974662 /nfs/dbraw/zinc/97/46/62/559974662.db2.gz UYAZXBOBONHNBO-AWEZNQCLSA-N 1 2 355.398 2.437 20 5 FEBDLO NC(=O)c1cccc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000439107703 559988697 /nfs/dbraw/zinc/98/86/97/559988697.db2.gz PYANQNHJALQNMD-QGZVFWFLSA-N 1 2 370.409 2.179 20 5 FEBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000443784833 560092675 /nfs/dbraw/zinc/09/26/75/560092675.db2.gz PREDYNNDOAPXHI-UHFFFAOYSA-N 1 2 372.406 2.400 20 5 FEBDLO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000447381219 560161159 /nfs/dbraw/zinc/16/11/59/560161159.db2.gz GFYKHEZGOOYVLI-WFASDCNBSA-N 1 2 358.822 2.094 20 5 FEBDLO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000447381219 560161160 /nfs/dbraw/zinc/16/11/60/560161160.db2.gz GFYKHEZGOOYVLI-WFASDCNBSA-N 1 2 358.822 2.094 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC[C@@H](n2cccn2)C1 ZINC000447817964 560170020 /nfs/dbraw/zinc/17/00/20/560170020.db2.gz ULNRKNDEIKEEMP-QGZVFWFLSA-N 1 2 371.441 2.465 20 5 FEBDLO COC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCCC1 ZINC000448752444 560197795 /nfs/dbraw/zinc/19/77/95/560197795.db2.gz RYEVGMCWFACNHU-UHFFFAOYSA-N 1 2 372.381 2.386 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N(C[C@H]1CCOC1)C1CC1 ZINC000448796875 560199830 /nfs/dbraw/zinc/19/98/30/560199830.db2.gz SERVLCBTMGTQPC-CYBMUJFWSA-N 1 2 356.382 2.422 20 5 FEBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449649900 560235556 /nfs/dbraw/zinc/23/55/56/560235556.db2.gz JZQABOJJUNJSMI-MNOVXSKESA-N 1 2 359.398 2.436 20 5 FEBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H](O)C(F)(F)F ZINC000450315449 560258258 /nfs/dbraw/zinc/25/82/58/560258258.db2.gz DKVWPBIJSJJHHT-GXFFZTMASA-N 1 2 372.303 2.212 20 5 FEBDLO CCC(=O)c1ccc(NC[C@H]2CCC[N@H+](CC(=O)OC)C2)c([N+](=O)[O-])c1 ZINC000450541483 560265505 /nfs/dbraw/zinc/26/55/05/560265505.db2.gz SKFQNWMJPGGSFQ-CYBMUJFWSA-N 1 2 363.414 2.484 20 5 FEBDLO CCC(=O)c1ccc(NC[C@H]2CCC[N@@H+](CC(=O)OC)C2)c([N+](=O)[O-])c1 ZINC000450541483 560265506 /nfs/dbraw/zinc/26/55/06/560265506.db2.gz SKFQNWMJPGGSFQ-CYBMUJFWSA-N 1 2 363.414 2.484 20 5 FEBDLO C[C@H](Cc1cnn(C)c1)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000450847579 560275484 /nfs/dbraw/zinc/27/54/84/560275484.db2.gz VSSLCLXZZUMYLH-CQSZACIVSA-N 1 2 359.430 2.204 20 5 FEBDLO COCCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CCO[C@H]1C ZINC000451472736 560309086 /nfs/dbraw/zinc/30/90/86/560309086.db2.gz UBOXJWAFSXQGFR-DZGCQCFKSA-N 1 2 374.397 2.047 20 5 FEBDLO COc1ccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3OC)CC2)nc1 ZINC000452066371 560349156 /nfs/dbraw/zinc/34/91/56/560349156.db2.gz KYOGOWZLIHRXQW-UHFFFAOYSA-N 1 2 358.398 2.329 20 5 FEBDLO O=C(N[C@H]([C@H](CO)C1CC1)C1CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000452906778 560377479 /nfs/dbraw/zinc/37/74/79/560377479.db2.gz CEZJFZJLVFBUGV-QAPCUYQASA-N 1 2 370.409 2.307 20 5 FEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000453976565 560418447 /nfs/dbraw/zinc/41/84/47/560418447.db2.gz OCUOARFLWVEQRU-SECBINFHSA-N 1 2 365.777 2.281 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@]2(CCOC2)C1 ZINC000456687656 560528990 /nfs/dbraw/zinc/52/89/90/560528990.db2.gz GANSKDIYGFXHLB-GOSISDBHSA-N 1 2 356.382 2.423 20 5 FEBDLO CC(C)[NH+]1CC(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000457751437 560585866 /nfs/dbraw/zinc/58/58/66/560585866.db2.gz SKPYXZZFODXOJR-UHFFFAOYSA-N 1 2 361.320 2.358 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000458024028 560599630 /nfs/dbraw/zinc/59/96/30/560599630.db2.gz WSSPPPBYDQMPHY-YOEHRIQHSA-N 1 2 368.393 2.422 20 5 FEBDLO COc1ccc(-c2ccc(C[NH+]3CC(N4CCNC4=O)C3)o2)c([N+](=O)[O-])c1 ZINC000459550224 560693671 /nfs/dbraw/zinc/69/36/71/560693671.db2.gz PINWMWQIAULYDD-UHFFFAOYSA-N 1 2 372.381 2.073 20 5 FEBDLO COC[C@](C)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000464504692 560843543 /nfs/dbraw/zinc/84/35/43/560843543.db2.gz LFDDYUOWBZOVJG-AWEZNQCLSA-N 1 2 372.303 2.478 20 5 FEBDLO O=C(NCCc1[nH]cc[nH+]1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000469162897 560948666 /nfs/dbraw/zinc/94/86/66/560948666.db2.gz WXVXJKDVSAAZIT-UHFFFAOYSA-N 1 2 358.276 2.232 20 5 FEBDLO COC(=O)[C@@H](CC(C)C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000475087053 561090028 /nfs/dbraw/zinc/09/00/28/561090028.db2.gz JBZSBUYGBGEUJL-SWLSCSKDSA-N 1 2 351.403 2.489 20 5 FEBDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000531887751 562460003 /nfs/dbraw/zinc/46/00/03/562460003.db2.gz SIDAXSKOEDWZOK-GOSISDBHSA-N 1 2 370.409 2.102 20 5 FEBDLO O=C(C[N@@H+]1CCCOCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000532938945 562493150 /nfs/dbraw/zinc/49/31/50/562493150.db2.gz WCKXBEWLDZLICV-UHFFFAOYSA-N 1 2 362.411 2.379 20 5 FEBDLO O=C(C[N@H+]1CCCOCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000532938945 562493151 /nfs/dbraw/zinc/49/31/51/562493151.db2.gz WCKXBEWLDZLICV-UHFFFAOYSA-N 1 2 362.411 2.379 20 5 FEBDLO O=C(C[N@H+]1CC[C@@H](CCO)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533437598 562508694 /nfs/dbraw/zinc/50/86/94/562508694.db2.gz OJRNSGBHWAIMBA-JTQLQIEISA-N 1 2 372.219 2.000 20 5 FEBDLO O=C(C[N@@H+]1CC[C@@H](CCO)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533437598 562508695 /nfs/dbraw/zinc/50/86/95/562508695.db2.gz OJRNSGBHWAIMBA-JTQLQIEISA-N 1 2 372.219 2.000 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000535148538 562552079 /nfs/dbraw/zinc/55/20/79/562552079.db2.gz KWTLYOIUHMIPRD-NSHDSACASA-N 1 2 367.365 2.212 20 5 FEBDLO Cc1cc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(C)c[nH+]1 ZINC000535773858 562567584 /nfs/dbraw/zinc/56/75/84/562567584.db2.gz GSGTYCALCOODCO-UHFFFAOYSA-N 1 2 355.398 2.383 20 5 FEBDLO Cc1cc(Br)cn2cc(CNc3ncc([N+](=O)[O-])cn3)[nH+]c12 ZINC000546180671 562634798 /nfs/dbraw/zinc/63/47/98/562634798.db2.gz LQWUUXGSGKITHL-UHFFFAOYSA-N 1 2 363.175 2.716 20 5 FEBDLO CC(C)Oc1nc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000568415514 568032068 /nfs/dbraw/zinc/03/20/68/568032068.db2.gz WDUHSBFMFFQGBG-KBPBESRZSA-N 1 2 350.419 2.076 20 5 FEBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cccc([N+](=O)[O-])c1Br ZINC000807684734 674424216 /nfs/dbraw/zinc/42/42/16/674424216.db2.gz FJQXLCMFCHXIRT-VIFPVBQESA-N 1 2 365.187 2.299 20 5 FEBDLO CCS(=O)(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000809736209 674507702 /nfs/dbraw/zinc/50/77/02/674507702.db2.gz KCIIIZWBVLMPCG-UHFFFAOYSA-N 1 2 361.851 2.152 20 5 FEBDLO O=[N+]([O-])c1ccc2nc(NCCCn3cc[nH+]c3)cc(-c3nn[nH]n3)c2c1 ZINC000826499225 608365364 /nfs/dbraw/zinc/36/53/64/608365364.db2.gz AAWWJEFXCKFZJE-UHFFFAOYSA-N 1 2 365.357 2.022 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2COc3ccc(F)cc32)cc1 ZINC000564131444 674976157 /nfs/dbraw/zinc/97/61/57/674976157.db2.gz NPRINLPQMKXLMC-OAHLLOKOSA-N 1 2 366.370 2.231 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@H](OC(F)F)C1 ZINC000571989736 670947964 /nfs/dbraw/zinc/94/79/64/670947964.db2.gz XCBKSHJJSZWMHK-NSHDSACASA-N 1 2 352.297 2.234 20 5 FEBDLO O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000119655607 671905306 /nfs/dbraw/zinc/90/53/06/671905306.db2.gz RHGSDRGZZNXZTK-UHFFFAOYSA-N 1 2 364.408 2.321 20 5 FEBDLO C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000610912389 676005103 /nfs/dbraw/zinc/00/51/03/676005103.db2.gz DPTGJEUAZARSAV-ZANVPECISA-N 1 2 361.320 2.063 20 5 FEBDLO C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000610912389 676005106 /nfs/dbraw/zinc/00/51/06/676005106.db2.gz DPTGJEUAZARSAV-ZANVPECISA-N 1 2 361.320 2.063 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCN(CC(F)F)CC2)c1 ZINC000589516354 672529815 /nfs/dbraw/zinc/52/98/15/672529815.db2.gz PHUYSLHEGXVFCK-UHFFFAOYSA-N 1 2 357.357 2.154 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCN(CC(F)F)CC2)c1 ZINC000589516354 672529817 /nfs/dbraw/zinc/52/98/17/672529817.db2.gz PHUYSLHEGXVFCK-UHFFFAOYSA-N 1 2 357.357 2.154 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1C[NH+](C)C ZINC000733868948 673441448 /nfs/dbraw/zinc/44/14/48/673441448.db2.gz RCROLEAFFVJFAW-UHFFFAOYSA-N 1 2 365.411 2.466 20 5 FEBDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000539841062 673509035 /nfs/dbraw/zinc/50/90/35/673509035.db2.gz OBTFJWXLNRXIDZ-AWEZNQCLSA-N 1 2 355.460 2.232 20 5 FEBDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000539841062 673509036 /nfs/dbraw/zinc/50/90/36/673509036.db2.gz OBTFJWXLNRXIDZ-AWEZNQCLSA-N 1 2 355.460 2.232 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000598650023 673594218 /nfs/dbraw/zinc/59/42/18/673594218.db2.gz XHMRIIQMMHAJQH-CYBMUJFWSA-N 1 2 351.403 2.025 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC(C)(C)CC[C@@H]1CO ZINC000598650023 673594219 /nfs/dbraw/zinc/59/42/19/673594219.db2.gz XHMRIIQMMHAJQH-CYBMUJFWSA-N 1 2 351.403 2.025 20 5 FEBDLO Cn1ncc(Br)c1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000602803109 673911377 /nfs/dbraw/zinc/91/13/77/673911377.db2.gz WFFWAOUAXLAKSU-UHFFFAOYSA-N 1 2 352.192 2.044 20 5 FEBDLO Cn1ncc(Br)c1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000602803109 673911380 /nfs/dbraw/zinc/91/13/80/673911380.db2.gz WFFWAOUAXLAKSU-UHFFFAOYSA-N 1 2 352.192 2.044 20 5 FEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](OCCO)C2)c1Br ZINC000839494997 680756716 /nfs/dbraw/zinc/75/67/16/680756716.db2.gz QOTQYIOSDSYKKQ-GFCCVEGCSA-N 1 2 359.220 2.331 20 5 FEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](OCCO)C2)c1Br ZINC000839494997 680756717 /nfs/dbraw/zinc/75/67/17/680756717.db2.gz QOTQYIOSDSYKKQ-GFCCVEGCSA-N 1 2 359.220 2.331 20 5 FEBDLO O=C(C[NH2+][C@@H](CCO)c1ccco1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839562165 680761845 /nfs/dbraw/zinc/76/18/45/680761845.db2.gz ZTNUPJNQJWFDTL-NSHDSACASA-N 1 2 353.762 2.493 20 5 FEBDLO C[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC000840154063 680802853 /nfs/dbraw/zinc/80/28/53/680802853.db2.gz BMEWXEHJRCFYOH-QWHCGFSZSA-N 1 2 353.423 2.232 20 5 FEBDLO C[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC000840154063 680802854 /nfs/dbraw/zinc/80/28/54/680802854.db2.gz BMEWXEHJRCFYOH-QWHCGFSZSA-N 1 2 353.423 2.232 20 5 FEBDLO CC[C@H]1C[N@H+](Cn2cc([N+](=O)[O-])cn2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000756908551 680504478 /nfs/dbraw/zinc/50/44/78/680504478.db2.gz HKJZGWYBQVJAMS-GXTWGEPZSA-N 1 2 353.423 2.374 20 5 FEBDLO CC[C@H]1C[N@@H+](Cn2cc([N+](=O)[O-])cn2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000756908551 680504481 /nfs/dbraw/zinc/50/44/81/680504481.db2.gz HKJZGWYBQVJAMS-GXTWGEPZSA-N 1 2 353.423 2.374 20 5 FEBDLO O=C(NC1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002783339 680508005 /nfs/dbraw/zinc/50/80/05/680508005.db2.gz QYUCCFNFXQZMRP-IUODEOHRSA-N 1 2 355.797 2.225 20 5 FEBDLO CCCc1nc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001005377286 680573331 /nfs/dbraw/zinc/57/33/31/680573331.db2.gz ZXEIJQZHRFUEPN-HUUCEWRRSA-N 1 2 366.487 2.184 20 5 FEBDLO C[C@H]1CC2(C[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1)CCOCC2 ZINC000842639684 680956526 /nfs/dbraw/zinc/95/65/26/680956526.db2.gz SKYMZPOUAKQPMM-JTQLQIEISA-N 1 2 359.224 2.402 20 5 FEBDLO C[C@H]1CC2(C[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1)CCOCC2 ZINC000842639684 680956528 /nfs/dbraw/zinc/95/65/28/680956528.db2.gz SKYMZPOUAKQPMM-JTQLQIEISA-N 1 2 359.224 2.402 20 5 FEBDLO CC1(C)CN=C(N2CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)S1 ZINC000776276694 681378903 /nfs/dbraw/zinc/37/89/03/681378903.db2.gz IXLOJRQEFHBUFH-HNNXBMFYSA-N 1 2 364.471 2.127 20 5 FEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@@H]1C ZINC000778034163 681561517 /nfs/dbraw/zinc/56/15/17/681561517.db2.gz ZYHDVVJMZLGELS-NWDGAFQWSA-N 1 2 359.423 2.146 20 5 FEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@@H]1C ZINC000778034163 681561525 /nfs/dbraw/zinc/56/15/25/681561525.db2.gz ZYHDVVJMZLGELS-NWDGAFQWSA-N 1 2 359.423 2.146 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000778091550 681570010 /nfs/dbraw/zinc/57/00/10/681570010.db2.gz VWSGCNJWRJGQMB-SNVBAGLBSA-N 1 2 370.818 2.046 20 5 FEBDLO O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@H]1CCc2c[nH+]cn2C1 ZINC000913386572 685476094 /nfs/dbraw/zinc/47/60/94/685476094.db2.gz WJXSDHOOJDKDLM-JTQLQIEISA-N 1 2 352.753 2.463 20 5 FEBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000790944099 682714874 /nfs/dbraw/zinc/71/48/74/682714874.db2.gz WASSUHLQWPPFIK-JTQLQIEISA-N 1 2 352.753 2.258 20 5 FEBDLO Nc1cc(COC(=O)c2cc(Br)ncc2[N+](=O)[O-])cc[nH+]1 ZINC000792088222 682788204 /nfs/dbraw/zinc/78/82/04/682788204.db2.gz RRBDKAJXFWNMIK-UHFFFAOYSA-N 1 2 353.132 2.087 20 5 FEBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857979467 682929548 /nfs/dbraw/zinc/92/95/48/682929548.db2.gz CBCPBYLGSDNZRG-ZDUSSCGKSA-N 1 2 362.411 2.405 20 5 FEBDLO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000859661989 683140673 /nfs/dbraw/zinc/14/06/73/683140673.db2.gz MJRPOYPHORTRAI-LBPRGKRZSA-N 1 2 353.806 2.185 20 5 FEBDLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000860196816 683214861 /nfs/dbraw/zinc/21/48/61/683214861.db2.gz KHSKCWLIJBOVGQ-NSHDSACASA-N 1 2 361.851 2.009 20 5 FEBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000860196816 683214866 /nfs/dbraw/zinc/21/48/66/683214866.db2.gz KHSKCWLIJBOVGQ-NSHDSACASA-N 1 2 361.851 2.009 20 5 FEBDLO O=C(NC1CC([NH+]2CCOCC2)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000862107967 683531361 /nfs/dbraw/zinc/53/13/61/683531361.db2.gz QUNDOEKSNALUGV-UHFFFAOYSA-N 1 2 374.224 2.495 20 5 FEBDLO C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872046969 684916993 /nfs/dbraw/zinc/91/69/93/684916993.db2.gz AJHLUVMGYDXTMC-FZMZJTMJSA-N 1 2 351.378 2.164 20 5 FEBDLO CC(C)(O)C[C@@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000878570890 686610077 /nfs/dbraw/zinc/61/00/77/686610077.db2.gz IEOWCXABZJBYFC-SNVBAGLBSA-N 1 2 373.247 2.237 20 5 FEBDLO CC(C)(O)C[C@@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000878570890 686610081 /nfs/dbraw/zinc/61/00/81/686610081.db2.gz IEOWCXABZJBYFC-SNVBAGLBSA-N 1 2 373.247 2.237 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000888288072 688578385 /nfs/dbraw/zinc/57/83/85/688578385.db2.gz AUJQJCUYRQLDQU-LBPRGKRZSA-N 1 2 369.853 2.314 20 5 FEBDLO C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000895246118 689683159 /nfs/dbraw/zinc/68/31/59/689683159.db2.gz LMTYKZVICHFYTN-YGRLFVJLSA-N 1 2 357.252 2.404 20 5 FEBDLO C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000895246118 689683162 /nfs/dbraw/zinc/68/31/62/689683162.db2.gz LMTYKZVICHFYTN-YGRLFVJLSA-N 1 2 357.252 2.404 20 5 FEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000902649405 690792791 /nfs/dbraw/zinc/79/27/91/690792791.db2.gz LAOMUSDEBVTYCY-LLVKDONJSA-N 1 2 360.395 2.481 20 5 FEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000902649405 690792794 /nfs/dbraw/zinc/79/27/94/690792794.db2.gz LAOMUSDEBVTYCY-LLVKDONJSA-N 1 2 360.395 2.481 20 5 FEBDLO Cc1nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)ccc1[N+](=O)[O-] ZINC001165009409 721694762 /nfs/dbraw/zinc/69/47/62/721694762.db2.gz PTVLQKHBEZLQEY-UHFFFAOYSA-N 1 2 359.434 2.140 20 5 FEBDLO Cc1nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)ccc1[N+](=O)[O-] ZINC001165009409 721694772 /nfs/dbraw/zinc/69/47/72/721694772.db2.gz PTVLQKHBEZLQEY-UHFFFAOYSA-N 1 2 359.434 2.140 20 5 FEBDLO COC(=O)COc1ccc(CNc2ccc(N(C)C)c[nH+]2)cc1[N+](=O)[O-] ZINC000474346829 822726856 /nfs/dbraw/zinc/72/68/56/822726856.db2.gz FFLXFAHUMMQEJO-UHFFFAOYSA-N 1 2 360.370 2.220 20 5 FEBDLO O=C(C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)NCC1CCCCC1 ZINC000016565251 539633608 /nfs/dbraw/zinc/63/36/08/539633608.db2.gz DDQBDNDCHBMJGG-UHFFFAOYSA-N 1 2 360.458 2.413 20 5 FEBDLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000026484572 539788075 /nfs/dbraw/zinc/78/80/75/539788075.db2.gz JLMBHKUBHJVFIY-OAHLLOKOSA-N 1 2 369.425 2.447 20 5 FEBDLO O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000030698683 539889843 /nfs/dbraw/zinc/88/98/43/539889843.db2.gz ZZNAIUIUABPKLM-SFHVURJKSA-N 1 2 355.394 2.398 20 5 FEBDLO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000030700116 539890201 /nfs/dbraw/zinc/89/02/01/539890201.db2.gz SYZUPAVCLPCNJR-LJQANCHMSA-N 1 2 369.421 2.327 20 5 FEBDLO C[C@H]1CN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3)c[nH+]2)CCO1 ZINC000046716111 540267797 /nfs/dbraw/zinc/26/77/97/540267797.db2.gz YLLAYUVFRUXGNM-ZDUSSCGKSA-N 1 2 356.382 2.145 20 5 FEBDLO O=C(C[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1)NCc1ccccc1 ZINC000047265720 540300419 /nfs/dbraw/zinc/30/04/19/540300419.db2.gz QDFUAEWDKMAEIN-UHFFFAOYSA-N 1 2 374.466 2.090 20 5 FEBDLO CCCCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000051063229 540421688 /nfs/dbraw/zinc/42/16/88/540421688.db2.gz MBSIVOQUKNKXJO-AWEZNQCLSA-N 1 2 362.430 2.162 20 5 FEBDLO CCCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000051063229 540421691 /nfs/dbraw/zinc/42/16/91/540421691.db2.gz MBSIVOQUKNKXJO-AWEZNQCLSA-N 1 2 362.430 2.162 20 5 FEBDLO O=C(C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)N1CCCCCC1 ZINC000052685018 540482070 /nfs/dbraw/zinc/48/20/70/540482070.db2.gz ZSGOEOLBAYCCGY-UHFFFAOYSA-N 1 2 360.458 2.115 20 5 FEBDLO O=C(CN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)N1CCCCCC1 ZINC000052685018 540482073 /nfs/dbraw/zinc/48/20/73/540482073.db2.gz ZSGOEOLBAYCCGY-UHFFFAOYSA-N 1 2 360.458 2.115 20 5 FEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000053808020 540555624 /nfs/dbraw/zinc/55/56/24/540555624.db2.gz WPKUGLIHVSNKSR-GFCCVEGCSA-N 1 2 354.370 2.010 20 5 FEBDLO Cc1cc(N(C)CC(=O)N2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057825879 540817318 /nfs/dbraw/zinc/81/73/18/540817318.db2.gz KIWYIKUHQOEZCN-UHFFFAOYSA-N 1 2 355.398 2.419 20 5 FEBDLO O=C(CCN1CC[NH+](Cc2ccccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000063483454 541170359 /nfs/dbraw/zinc/17/03/59/541170359.db2.gz WHDIUMADFXKZOM-UHFFFAOYSA-N 1 2 369.425 2.136 20 5 FEBDLO CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000067419685 541461985 /nfs/dbraw/zinc/46/19/85/541461985.db2.gz NETWHUPBEHZHHE-LBPRGKRZSA-N 1 2 368.821 2.035 20 5 FEBDLO CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000067419685 541461987 /nfs/dbraw/zinc/46/19/87/541461987.db2.gz NETWHUPBEHZHHE-LBPRGKRZSA-N 1 2 368.821 2.035 20 5 FEBDLO Cc1ccccc1NC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664950 541847228 /nfs/dbraw/zinc/84/72/28/541847228.db2.gz IZSHEVCBGARQPB-AWEZNQCLSA-N 1 2 355.398 2.423 20 5 FEBDLO Cc1ccccc1NC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664950 541847231 /nfs/dbraw/zinc/84/72/31/541847231.db2.gz IZSHEVCBGARQPB-AWEZNQCLSA-N 1 2 355.398 2.423 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000047031854 205141501 /nfs/dbraw/zinc/14/15/01/205141501.db2.gz BUJAKEXIIWSJKF-OAHLLOKOSA-N 1 2 365.411 2.303 20 5 FEBDLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000076047644 542227008 /nfs/dbraw/zinc/22/70/08/542227008.db2.gz FEOVSAWWIOUYOK-UHFFFAOYSA-N 1 2 363.439 2.314 20 5 FEBDLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000076047644 542227011 /nfs/dbraw/zinc/22/70/11/542227011.db2.gz FEOVSAWWIOUYOK-UHFFFAOYSA-N 1 2 363.439 2.314 20 5 FEBDLO Cn1cc[nH+]c1C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000081317517 542648289 /nfs/dbraw/zinc/64/82/89/542648289.db2.gz DUCOIFDIIFKREW-MRXNPFEDSA-N 1 2 368.397 2.015 20 5 FEBDLO CCOC(=O)C1(C)CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000092824856 542889872 /nfs/dbraw/zinc/88/98/72/542889872.db2.gz GISGNLDEAMFMHF-UHFFFAOYSA-N 1 2 363.414 2.223 20 5 FEBDLO CCc1nn(C)c(N2CCC[N@H+](Cc3cscn3)CC2)c1[N+](=O)[O-] ZINC000094154628 542954565 /nfs/dbraw/zinc/95/45/65/542954565.db2.gz RCBSJEKEGCMINA-UHFFFAOYSA-N 1 2 350.448 2.060 20 5 FEBDLO CCc1nn(C)c(N2CCC[N@@H+](Cc3cscn3)CC2)c1[N+](=O)[O-] ZINC000094154628 542954567 /nfs/dbraw/zinc/95/45/67/542954567.db2.gz RCBSJEKEGCMINA-UHFFFAOYSA-N 1 2 350.448 2.060 20 5 FEBDLO O=C(NC[C@@H](O)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000104909180 543150015 /nfs/dbraw/zinc/15/00/15/543150015.db2.gz YEAHAKOQVQZESD-INIZCTEOSA-N 1 2 366.377 2.114 20 5 FEBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCOC1 ZINC000106880389 543252457 /nfs/dbraw/zinc/25/24/57/543252457.db2.gz AFJZEVIWMSXCBR-SNVBAGLBSA-N 1 2 358.192 2.017 20 5 FEBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCOC1 ZINC000106880389 543252460 /nfs/dbraw/zinc/25/24/60/543252460.db2.gz AFJZEVIWMSXCBR-SNVBAGLBSA-N 1 2 358.192 2.017 20 5 FEBDLO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000113299752 543483442 /nfs/dbraw/zinc/48/34/42/543483442.db2.gz IVGQYDVEATZBDJ-UHFFFAOYSA-N 1 2 364.427 2.199 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccnc2)CC1 ZINC000125257762 543870902 /nfs/dbraw/zinc/87/09/02/543870902.db2.gz GFTDKEKBAWCVCO-HNNXBMFYSA-N 1 2 369.425 2.135 20 5 FEBDLO C[N@H+](Cc1ccc(F)cc1)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000129973471 544133973 /nfs/dbraw/zinc/13/39/73/544133973.db2.gz GXCCYQPEYFWENB-MRXNPFEDSA-N 1 2 357.341 2.498 20 5 FEBDLO C[N@@H+](Cc1ccc(F)cc1)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000129973471 544133974 /nfs/dbraw/zinc/13/39/74/544133974.db2.gz GXCCYQPEYFWENB-MRXNPFEDSA-N 1 2 357.341 2.498 20 5 FEBDLO O=c1c2ccccc2ncn1CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131539944 544194536 /nfs/dbraw/zinc/19/45/36/544194536.db2.gz KHUZPLSXNLQJEJ-UHFFFAOYSA-N 1 2 350.378 2.363 20 5 FEBDLO O=c1c2ccccc2ncn1CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131539944 544194538 /nfs/dbraw/zinc/19/45/38/544194538.db2.gz KHUZPLSXNLQJEJ-UHFFFAOYSA-N 1 2 350.378 2.363 20 5 FEBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000132359229 544228593 /nfs/dbraw/zinc/22/85/93/544228593.db2.gz OBIQIVGHNRHXET-ZDUSSCGKSA-N 1 2 371.390 2.217 20 5 FEBDLO Cc1cnc(N(CCC[NH+]2CCOCC2)Cc2ccncc2)c([N+](=O)[O-])c1 ZINC000135452361 544347434 /nfs/dbraw/zinc/34/74/34/544347434.db2.gz GRQZJKJGJWSCQV-UHFFFAOYSA-N 1 2 371.441 2.422 20 5 FEBDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000152013214 544605797 /nfs/dbraw/zinc/60/57/97/544605797.db2.gz JGOKXBQEYQZZOU-UHFFFAOYSA-N 1 2 351.384 2.140 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000153273115 544754937 /nfs/dbraw/zinc/75/49/37/544754937.db2.gz XCQRDZOPABTDPK-AWEZNQCLSA-N 1 2 374.441 2.399 20 5 FEBDLO Cc1cccn2cc(CNS(=O)(=O)CCc3ccccc3[N+](=O)[O-])[nH+]c12 ZINC000180248410 327677918 /nfs/dbraw/zinc/67/79/18/327677918.db2.gz FNZNNLUGQJJIDM-UHFFFAOYSA-N 1 2 374.422 2.213 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182202142 327765418 /nfs/dbraw/zinc/76/54/18/327765418.db2.gz PYOZOSXROHJEFQ-LLVKDONJSA-N 1 2 373.862 2.177 20 5 FEBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000182474587 327776961 /nfs/dbraw/zinc/77/69/61/327776961.db2.gz UAESDALLQUJCRI-GFCCVEGCSA-N 1 2 372.381 2.152 20 5 FEBDLO CC(C)(CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000184356108 327863927 /nfs/dbraw/zinc/86/39/27/327863927.db2.gz ZNZGCPZCWCUPDI-UHFFFAOYSA-N 1 2 370.837 2.158 20 5 FEBDLO CC/C=C/CC[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000184405179 327866249 /nfs/dbraw/zinc/86/62/49/327866249.db2.gz RWULBZCYMWFLBD-ONEGZZNKSA-N 1 2 353.444 2.257 20 5 FEBDLO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000184672314 327878335 /nfs/dbraw/zinc/87/83/35/327878335.db2.gz AFNDPPJAVKRTTE-UHFFFAOYSA-N 1 2 371.393 2.063 20 5 FEBDLO Cn1cc(-c2cc(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)on2)cn1 ZINC000184979913 327893156 /nfs/dbraw/zinc/89/31/56/327893156.db2.gz DEMYVZJLBWOFTE-UHFFFAOYSA-N 1 2 368.397 2.306 20 5 FEBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186366798 327958688 /nfs/dbraw/zinc/95/86/88/327958688.db2.gz SJOPTUSOTLTRDN-UHFFFAOYSA-N 1 2 369.425 2.454 20 5 FEBDLO COCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cccnc1 ZINC000191240187 328255817 /nfs/dbraw/zinc/25/58/17/328255817.db2.gz WGMRETWUWCVIDW-UHFFFAOYSA-N 1 2 370.409 2.028 20 5 FEBDLO COCC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cccnc1 ZINC000191240187 328255818 /nfs/dbraw/zinc/25/58/18/328255818.db2.gz WGMRETWUWCVIDW-UHFFFAOYSA-N 1 2 370.409 2.028 20 5 FEBDLO CS(=O)(=O)c1ccc(N2CC[NH+](CC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000192967607 328349524 /nfs/dbraw/zinc/34/95/24/328349524.db2.gz KSFBRPZWJLLVGR-UHFFFAOYSA-N 1 2 367.471 2.311 20 5 FEBDLO CC(C)C(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193783833 328394934 /nfs/dbraw/zinc/39/49/34/328394934.db2.gz QXGBITRXSDWNCH-UHFFFAOYSA-N 1 2 350.375 2.193 20 5 FEBDLO CC(C)C(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193783833 328394935 /nfs/dbraw/zinc/39/49/35/328394935.db2.gz QXGBITRXSDWNCH-UHFFFAOYSA-N 1 2 350.375 2.193 20 5 FEBDLO Cc1cc(NCCC(=O)N2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000195302555 328469728 /nfs/dbraw/zinc/46/97/28/328469728.db2.gz PSWWTQQSLYHMLU-UHFFFAOYSA-N 1 2 371.397 2.021 20 5 FEBDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000079954225 325111383 /nfs/dbraw/zinc/11/13/83/325111383.db2.gz PGHFZHBONVUEOS-QGZVFWFLSA-N 1 2 374.485 2.156 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(N2CCCC2=O)CC1 ZINC000104730414 325544374 /nfs/dbraw/zinc/54/43/74/325544374.db2.gz HFOTVQLCTOSWKP-ZDUSSCGKSA-N 1 2 360.414 2.009 20 5 FEBDLO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000110957866 325697577 /nfs/dbraw/zinc/69/75/77/325697577.db2.gz YVHNEPPZGWYFTE-CQSZACIVSA-N 1 2 351.378 2.061 20 5 FEBDLO Cc1cc[nH+]c(N2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000120057283 326225998 /nfs/dbraw/zinc/22/59/98/326225998.db2.gz XDAJTHJODZMBDM-UHFFFAOYSA-N 1 2 369.425 2.367 20 5 FEBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000120305133 326248057 /nfs/dbraw/zinc/24/80/57/326248057.db2.gz HYXBHOVHZPBZFP-AWEZNQCLSA-N 1 2 358.398 2.188 20 5 FEBDLO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156308533 326825901 /nfs/dbraw/zinc/82/59/01/326825901.db2.gz MMVFGGMOWKWPTA-GFCCVEGCSA-N 1 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C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](OCCO)C1 ZINC000172294586 327193238 /nfs/dbraw/zinc/19/32/38/327193238.db2.gz MTJVQZQFFLHOCR-YPMHNXCESA-N 1 2 371.821 2.049 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](OCCO)C1 ZINC000172294586 327193240 /nfs/dbraw/zinc/19/32/40/327193240.db2.gz MTJVQZQFFLHOCR-YPMHNXCESA-N 1 2 371.821 2.049 20 5 FEBDLO C[C@@H]([NH2+][C@@H](C)c1nnc2ccccn21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000172620676 327212005 /nfs/dbraw/zinc/21/20/05/327212005.db2.gz NSSBIFZMXVYNEC-NWDGAFQWSA-N 1 2 354.370 2.315 20 5 FEBDLO CCc1ccc(C(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC000174163911 327310080 /nfs/dbraw/zinc/31/00/80/327310080.db2.gz YFXRWMOZXRRCKJ-UHFFFAOYSA-N 1 2 361.402 2.267 20 5 FEBDLO CCc1cnc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000175516269 327397127 /nfs/dbraw/zinc/39/71/27/327397127.db2.gz WCBPZHLUVOGQCG-CYBMUJFWSA-N 1 2 351.428 2.485 20 5 FEBDLO CCc1cnc(C[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000175516269 327397128 /nfs/dbraw/zinc/39/71/28/327397128.db2.gz WCBPZHLUVOGQCG-CYBMUJFWSA-N 1 2 351.428 2.485 20 5 FEBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000265216650 329103226 /nfs/dbraw/zinc/10/32/26/329103226.db2.gz NHVNDXNWMSNULV-WCQYABFASA-N 1 2 371.821 2.049 20 5 FEBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@H](OCCO)C1 ZINC000265216650 329103229 /nfs/dbraw/zinc/10/32/29/329103229.db2.gz NHVNDXNWMSNULV-WCQYABFASA-N 1 2 371.821 2.049 20 5 FEBDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC2)S1 ZINC000266077324 329187879 /nfs/dbraw/zinc/18/78/79/329187879.db2.gz KAHOOMMDGZUBAW-NSHDSACASA-N 1 2 373.438 2.325 20 5 FEBDLO CN(c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000267054977 329287322 /nfs/dbraw/zinc/28/73/22/329287322.db2.gz FTMFRUMDUACRSS-SNVBAGLBSA-N 1 2 363.386 2.122 20 5 FEBDLO CN(c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000267054977 329287324 /nfs/dbraw/zinc/28/73/24/329287324.db2.gz FTMFRUMDUACRSS-SNVBAGLBSA-N 1 2 363.386 2.122 20 5 FEBDLO Cc1n[nH]c(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)c1[N+](=O)[O-] ZINC000267668235 329348285 /nfs/dbraw/zinc/34/82/85/329348285.db2.gz KXLOVTZHYDHVET-UHFFFAOYSA-N 1 2 368.397 2.386 20 5 FEBDLO COc1ccc(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000272768406 329812074 /nfs/dbraw/zinc/81/20/74/329812074.db2.gz BNUBJUKWWFSIRO-UHFFFAOYSA-N 1 2 371.397 2.348 20 5 FEBDLO Cc1cc(NC(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000276128333 330122143 /nfs/dbraw/zinc/12/21/43/330122143.db2.gz YECNUBZYTXSDRO-INIZCTEOSA-N 1 2 362.430 2.478 20 5 FEBDLO Cc1cc(NC(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000276128333 330122144 /nfs/dbraw/zinc/12/21/44/330122144.db2.gz YECNUBZYTXSDRO-INIZCTEOSA-N 1 2 362.430 2.478 20 5 FEBDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000276486469 330157145 /nfs/dbraw/zinc/15/71/45/330157145.db2.gz UGQNGBNMQRCOLM-UVBJJODRSA-N 1 2 362.382 2.235 20 5 FEBDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000276486469 330157146 /nfs/dbraw/zinc/15/71/46/330157146.db2.gz UGQNGBNMQRCOLM-UVBJJODRSA-N 1 2 362.382 2.235 20 5 FEBDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000367040171 330210314 /nfs/dbraw/zinc/21/03/14/330210314.db2.gz FZRFOZPZVSVBFM-RHSMWYFYSA-N 1 2 354.410 2.421 20 5 FEBDLO Cc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000367121840 330219467 /nfs/dbraw/zinc/21/94/67/330219467.db2.gz TYJCHRIUJXIFBL-UHFFFAOYSA-N 1 2 353.338 2.120 20 5 FEBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000155815262 545571968 /nfs/dbraw/zinc/57/19/68/545571968.db2.gz KMNYSVFPOSAHSB-CQSZACIVSA-N 1 2 350.400 2.375 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000156327785 545618476 /nfs/dbraw/zinc/61/84/76/545618476.db2.gz ZBHAFOPDQHRIEK-GUYCJALGSA-N 1 2 356.382 2.470 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000156327785 545618479 /nfs/dbraw/zinc/61/84/79/545618479.db2.gz ZBHAFOPDQHRIEK-GUYCJALGSA-N 1 2 356.382 2.470 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2nc(C)cc(C)n2)CC1 ZINC000159026216 545915716 /nfs/dbraw/zinc/91/57/16/545915716.db2.gz ZMFFDBKZRDDNJK-UHFFFAOYSA-N 1 2 357.414 2.332 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000159577624 545964362 /nfs/dbraw/zinc/96/43/62/545964362.db2.gz FISYZIRYFMNLCA-OAHLLOKOSA-N 1 2 363.414 2.017 20 5 FEBDLO O=C(NC[C@H](CO)c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000176496677 546454786 /nfs/dbraw/zinc/45/47/86/546454786.db2.gz YWDVFACUOKENFE-MRXNPFEDSA-N 1 2 366.377 2.286 20 5 FEBDLO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000177651514 546660417 /nfs/dbraw/zinc/66/04/17/546660417.db2.gz JMUSKXDFNKVYGG-OAHLLOKOSA-N 1 2 356.444 2.393 20 5 FEBDLO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000177651514 546660421 /nfs/dbraw/zinc/66/04/21/546660421.db2.gz JMUSKXDFNKVYGG-OAHLLOKOSA-N 1 2 356.444 2.393 20 5 FEBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178439861 546795047 /nfs/dbraw/zinc/79/50/47/546795047.db2.gz LWYVCYWSLAGQGN-UHFFFAOYSA-N 1 2 373.384 2.457 20 5 FEBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000178471702 546798896 /nfs/dbraw/zinc/79/88/96/546798896.db2.gz KQMXEQZCFHAKPS-UHFFFAOYSA-N 1 2 371.397 2.457 20 5 FEBDLO C[N@H+](CC(=O)N1CCOCC1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000179675987 546995645 /nfs/dbraw/zinc/99/56/45/546995645.db2.gz JQENSPVZUJMLDS-UHFFFAOYSA-N 1 2 359.382 2.145 20 5 FEBDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000179675987 546995646 /nfs/dbraw/zinc/99/56/46/546995646.db2.gz JQENSPVZUJMLDS-UHFFFAOYSA-N 1 2 359.382 2.145 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000483936597 561287411 /nfs/dbraw/zinc/28/74/11/561287411.db2.gz ARMGMWCILOUCST-NHYWBVRUSA-N 1 2 352.366 2.061 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183838605 547727959 /nfs/dbraw/zinc/72/79/59/547727959.db2.gz JUFUODKZNYDFKA-UHFFFAOYSA-N 1 2 369.425 2.449 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCN(c2ccccn2)CC1 ZINC000183838605 547727961 /nfs/dbraw/zinc/72/79/61/547727961.db2.gz JUFUODKZNYDFKA-UHFFFAOYSA-N 1 2 369.425 2.449 20 5 FEBDLO COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)[NH+](C)C)c1 ZINC000184606743 547853710 /nfs/dbraw/zinc/85/37/10/547853710.db2.gz IJIRWFGMRKISAE-INIZCTEOSA-N 1 2 359.382 2.342 20 5 FEBDLO Cc1nc(N2CCN(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc[nH+]1 ZINC000184959033 547907526 /nfs/dbraw/zinc/90/75/26/547907526.db2.gz LFFDPQJACNIXAD-CYBMUJFWSA-N 1 2 370.413 2.286 20 5 FEBDLO CCc1n[nH]c(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1[N+](=O)[O-] ZINC000185488816 547991599 /nfs/dbraw/zinc/99/15/99/547991599.db2.gz UUVRWKABMOQXQR-NSHDSACASA-N 1 2 363.443 2.461 20 5 FEBDLO CCc1[nH]nc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1[N+](=O)[O-] ZINC000185488816 547991604 /nfs/dbraw/zinc/99/16/04/547991604.db2.gz UUVRWKABMOQXQR-NSHDSACASA-N 1 2 363.443 2.461 20 5 FEBDLO CC1(C)C[N@H+](CCNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000185819940 548039395 /nfs/dbraw/zinc/03/93/95/548039395.db2.gz HYFWPTPRWJOMKA-UHFFFAOYSA-N 1 2 370.837 2.158 20 5 FEBDLO CC1(C)C[N@@H+](CCNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000185819940 548039401 /nfs/dbraw/zinc/03/94/01/548039401.db2.gz HYFWPTPRWJOMKA-UHFFFAOYSA-N 1 2 370.837 2.158 20 5 FEBDLO COc1cc(C[N@@H+]2CCCC[C@]2(C)C(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000185966559 548066742 /nfs/dbraw/zinc/06/67/42/548066742.db2.gz BNTGYWKFJKWKGZ-MRXNPFEDSA-N 1 2 373.356 2.435 20 5 FEBDLO COc1cc(C[N@H+]2CCCC[C@]2(C)C(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000185966559 548066744 /nfs/dbraw/zinc/06/67/44/548066744.db2.gz BNTGYWKFJKWKGZ-MRXNPFEDSA-N 1 2 373.356 2.435 20 5 FEBDLO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000186027846 548074459 /nfs/dbraw/zinc/07/44/59/548074459.db2.gz MUKNQBYEVKASAN-UHFFFAOYSA-N 1 2 356.382 2.342 20 5 FEBDLO Cn1c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000485718578 561326491 /nfs/dbraw/zinc/32/64/91/561326491.db2.gz DHBJTWCRRWRRBR-XJKSGUPXSA-N 1 2 364.352 2.387 20 5 FEBDLO Cn1c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000485718578 561326492 /nfs/dbraw/zinc/32/64/92/561326492.db2.gz DHBJTWCRRWRRBR-XJKSGUPXSA-N 1 2 364.352 2.387 20 5 FEBDLO COCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCO[C@H]1C ZINC000488844189 561398049 /nfs/dbraw/zinc/39/80/49/561398049.db2.gz NRDVYTTZEHUXCD-ZFWWWQNUSA-N 1 2 374.397 2.047 20 5 FEBDLO COCC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCO[C@H]1C ZINC000489456480 561411828 /nfs/dbraw/zinc/41/18/28/561411828.db2.gz ORFLWLOQTWMPLJ-WFASDCNBSA-N 1 2 362.386 2.271 20 5 FEBDLO COCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCO[C@H]1C ZINC000489456480 561411829 /nfs/dbraw/zinc/41/18/29/561411829.db2.gz ORFLWLOQTWMPLJ-WFASDCNBSA-N 1 2 362.386 2.271 20 5 FEBDLO COCC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCO[C@@H]1C ZINC000489468284 561412182 /nfs/dbraw/zinc/41/21/82/561412182.db2.gz XJIQYNRXOJLDHP-BXUZGUMPSA-N 1 2 371.821 2.313 20 5 FEBDLO COCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCO[C@@H]1C ZINC000489468284 561412183 /nfs/dbraw/zinc/41/21/83/561412183.db2.gz XJIQYNRXOJLDHP-BXUZGUMPSA-N 1 2 371.821 2.313 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000249079395 549547470 /nfs/dbraw/zinc/54/74/70/549547470.db2.gz MJFWPKOYKGGDJB-IACUBPJLSA-N 1 2 363.414 2.361 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000249079395 549547476 /nfs/dbraw/zinc/54/74/76/549547476.db2.gz MJFWPKOYKGGDJB-IACUBPJLSA-N 1 2 363.414 2.361 20 5 FEBDLO COC(=O)C(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000489899247 561421835 /nfs/dbraw/zinc/42/18/35/561421835.db2.gz URVQSIAPOIWKNB-UHFFFAOYSA-N 1 2 358.398 2.217 20 5 FEBDLO CCN(CC)c1ccc(CNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c[nH+]1 ZINC000263837311 549943756 /nfs/dbraw/zinc/94/37/56/549943756.db2.gz RMRLVYNLJMZOET-UHFFFAOYSA-N 1 2 374.445 2.356 20 5 FEBDLO COc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000492682130 561452294 /nfs/dbraw/zinc/45/22/94/561452294.db2.gz KUHWKSJIYMMRDG-ZBFHGGJFSA-N 1 2 356.444 2.391 20 5 FEBDLO COc1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000492682130 561452295 /nfs/dbraw/zinc/45/22/95/561452295.db2.gz KUHWKSJIYMMRDG-ZBFHGGJFSA-N 1 2 356.444 2.391 20 5 FEBDLO Cc1nn(C)c(C(=O)N(C)[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1[N+](=O)[O-] ZINC000492786286 561452602 /nfs/dbraw/zinc/45/26/02/561452602.db2.gz XYSILTXUCOJOAY-AWEZNQCLSA-N 1 2 354.370 2.221 20 5 FEBDLO COc1cc[nH+]cc1NC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000494048224 561461366 /nfs/dbraw/zinc/46/13/66/561461366.db2.gz KKCNCPYTZQPMOP-LLVKDONJSA-N 1 2 358.354 2.123 20 5 FEBDLO CC(C)c1[nH]nc(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)c1[N+](=O)[O-] ZINC000272570028 550458545 /nfs/dbraw/zinc/45/85/45/550458545.db2.gz CWGKQYKACLRPFB-SNVBAGLBSA-N 1 2 350.379 2.273 20 5 FEBDLO CC(C)c1[nH]nc(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)c1[N+](=O)[O-] ZINC000272570028 550458547 /nfs/dbraw/zinc/45/85/47/550458547.db2.gz CWGKQYKACLRPFB-SNVBAGLBSA-N 1 2 350.379 2.273 20 5 FEBDLO Cc1nc(N2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)cc[nH+]1 ZINC000274011710 550519711 /nfs/dbraw/zinc/51/97/11/550519711.db2.gz QLVVSPLBZCSOMT-UHFFFAOYSA-N 1 2 369.425 2.320 20 5 FEBDLO COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000274800787 550555647 /nfs/dbraw/zinc/55/56/47/550555647.db2.gz OKCZIBDVGCYVHA-WBMJQRKESA-N 1 2 372.381 2.194 20 5 FEBDLO CCOc1cc(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000277843289 550720719 /nfs/dbraw/zinc/72/07/19/550720719.db2.gz SHEBUFVHTDNLKD-AWEZNQCLSA-N 1 2 356.444 2.393 20 5 FEBDLO CCOc1cc(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000277843289 550720721 /nfs/dbraw/zinc/72/07/21/550720721.db2.gz SHEBUFVHTDNLKD-AWEZNQCLSA-N 1 2 356.444 2.393 20 5 FEBDLO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c([N+](=O)[O-])c1 ZINC000278859915 550829861 /nfs/dbraw/zinc/82/98/61/550829861.db2.gz MYMHDQGXYCBLOW-AWEZNQCLSA-N 1 2 374.372 2.271 20 5 FEBDLO NC(=O)c1ccc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)c([N+](=O)[O-])c1 ZINC000278859915 550829862 /nfs/dbraw/zinc/82/98/62/550829862.db2.gz MYMHDQGXYCBLOW-AWEZNQCLSA-N 1 2 374.372 2.271 20 5 FEBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@H](c2ccccc2)C1 ZINC000279185896 550862907 /nfs/dbraw/zinc/86/29/07/550862907.db2.gz IWPRGOCZWIMAPD-KRWDZBQOSA-N 1 2 358.373 2.445 20 5 FEBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@H](c2ccccc2)C1 ZINC000279185896 550862908 /nfs/dbraw/zinc/86/29/08/550862908.db2.gz IWPRGOCZWIMAPD-KRWDZBQOSA-N 1 2 358.373 2.445 20 5 FEBDLO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000279518626 550899025 /nfs/dbraw/zinc/89/90/25/550899025.db2.gz YDSHIVAQANNBIJ-LZWOXQAQSA-N 1 2 358.398 2.349 20 5 FEBDLO CCc1cc(N)nc(SC[C@H](O)COc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000280345914 550983254 /nfs/dbraw/zinc/98/32/54/550983254.db2.gz AQPDFOODDBNTBA-GFCCVEGCSA-N 1 2 350.400 2.061 20 5 FEBDLO COC(=O)c1cc(NCC[N@@H+]2CCN(C)C(C)(C)C2)cc(C)c1[N+](=O)[O-] ZINC000281763589 551140334 /nfs/dbraw/zinc/14/03/34/551140334.db2.gz ZAGQADXJRVGCQG-UHFFFAOYSA-N 1 2 364.446 2.128 20 5 FEBDLO COC(=O)c1cc(NCC[N@H+]2CCN(C)C(C)(C)C2)cc(C)c1[N+](=O)[O-] ZINC000281763589 551140336 /nfs/dbraw/zinc/14/03/36/551140336.db2.gz ZAGQADXJRVGCQG-UHFFFAOYSA-N 1 2 364.446 2.128 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2Cc2cc([N+](=O)[O-])ccc2OC)O1 ZINC000282452446 551230954 /nfs/dbraw/zinc/23/09/54/551230954.db2.gz LYHSPKCRLRUDSU-PREXVCJDSA-N 1 2 364.398 2.287 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2Cc2cc([N+](=O)[O-])ccc2OC)O1 ZINC000282452446 551230955 /nfs/dbraw/zinc/23/09/55/551230955.db2.gz LYHSPKCRLRUDSU-PREXVCJDSA-N 1 2 364.398 2.287 20 5 FEBDLO Cc1nn(C)c(C(=O)NCc2ccc3c(c2)[nH+]c(C2CC2)n3C)c1[N+](=O)[O-] ZINC000282883704 551281365 /nfs/dbraw/zinc/28/13/65/551281365.db2.gz JVUQQSKJNPPCQF-UHFFFAOYSA-N 1 2 368.397 2.331 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)c1 ZINC000283344975 551351378 /nfs/dbraw/zinc/35/13/78/551351378.db2.gz ZYGRQNBHRRLYBX-PXAZEXFGSA-N 1 2 374.397 2.377 20 5 FEBDLO CC(C)(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000283807925 551430818 /nfs/dbraw/zinc/43/08/18/551430818.db2.gz RIKTXXVGWLGHLC-UHFFFAOYSA-N 1 2 355.822 2.018 20 5 FEBDLO Cc1n[nH]c(C(=O)N2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)c1[N+](=O)[O-] ZINC000284649664 551598632 /nfs/dbraw/zinc/59/86/32/551598632.db2.gz PGDMYQXUEWNTGZ-CYBMUJFWSA-N 1 2 358.402 2.216 20 5 FEBDLO Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)c1[N+](=O)[O-] ZINC000284649664 551598633 /nfs/dbraw/zinc/59/86/33/551598633.db2.gz PGDMYQXUEWNTGZ-CYBMUJFWSA-N 1 2 358.402 2.216 20 5 FEBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]21 ZINC000284708238 551613571 /nfs/dbraw/zinc/61/35/71/551613571.db2.gz ZLTZIXOFXLLAHH-KGLIPLIRSA-N 1 2 373.331 2.159 20 5 FEBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]21 ZINC000284708238 551613572 /nfs/dbraw/zinc/61/35/72/551613572.db2.gz ZLTZIXOFXLLAHH-KGLIPLIRSA-N 1 2 373.331 2.159 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000285470809 551761124 /nfs/dbraw/zinc/76/11/24/551761124.db2.gz QFEXABQCWHHYRJ-XKQJLSEDSA-N 1 2 362.430 2.079 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000285470809 551761125 /nfs/dbraw/zinc/76/11/25/551761125.db2.gz QFEXABQCWHHYRJ-XKQJLSEDSA-N 1 2 362.430 2.079 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000285682727 551794627 /nfs/dbraw/zinc/79/46/27/551794627.db2.gz GLLFNHDVUOOWPC-UKRRQHHQSA-N 1 2 365.455 2.009 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000286236000 551864417 /nfs/dbraw/zinc/86/44/17/551864417.db2.gz DYYJUCKWDNGPMR-GHMZBOCLSA-N 1 2 359.473 2.123 20 5 FEBDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000286711854 551917510 /nfs/dbraw/zinc/91/75/10/551917510.db2.gz FRKUZFKFNSYBBZ-AWEZNQCLSA-N 1 2 365.386 2.172 20 5 FEBDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000286711854 551917512 /nfs/dbraw/zinc/91/75/12/551917512.db2.gz FRKUZFKFNSYBBZ-AWEZNQCLSA-N 1 2 365.386 2.172 20 5 FEBDLO CCC[C@]1(CO)CC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000288718681 552200099 /nfs/dbraw/zinc/20/00/99/552200099.db2.gz FTSKAFNNEDUOJB-KRWDZBQOSA-N 1 2 351.403 2.026 20 5 FEBDLO CCC[C@]1(CO)CC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000288718681 552200101 /nfs/dbraw/zinc/20/01/01/552200101.db2.gz FTSKAFNNEDUOJB-KRWDZBQOSA-N 1 2 351.403 2.026 20 5 FEBDLO CCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000500467934 561574034 /nfs/dbraw/zinc/57/40/34/561574034.db2.gz NJEOUMDFXBYRHT-KBPBESRZSA-N 1 2 362.430 2.221 20 5 FEBDLO CCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000500467934 561574035 /nfs/dbraw/zinc/57/40/35/561574035.db2.gz NJEOUMDFXBYRHT-KBPBESRZSA-N 1 2 362.430 2.221 20 5 FEBDLO CCCN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000294829034 552937160 /nfs/dbraw/zinc/93/71/60/552937160.db2.gz ALOVNFLLTLQFCI-UHFFFAOYSA-N 1 2 355.460 2.311 20 5 FEBDLO CCn1cc[nH+]c1CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000295733706 553051603 /nfs/dbraw/zinc/05/16/03/553051603.db2.gz LTUYLZJGADOGEY-UHFFFAOYSA-N 1 2 370.312 2.351 20 5 FEBDLO CC(C)[NH+]1CC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000297191372 553261304 /nfs/dbraw/zinc/26/13/04/553261304.db2.gz VFUROBFTLSQAMU-UHFFFAOYSA-N 1 2 360.183 2.319 20 5 FEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000297555351 553308478 /nfs/dbraw/zinc/30/84/78/553308478.db2.gz APTLNRIKUMPHEQ-INIZCTEOSA-N 1 2 364.352 2.124 20 5 FEBDLO COc1ccc(C(=O)CC[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000298006888 553370166 /nfs/dbraw/zinc/37/01/66/553370166.db2.gz BTLBPSSRTNMVMZ-UHFFFAOYSA-N 1 2 370.409 2.393 20 5 FEBDLO COC(=O)c1ccc(F)c(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000298130388 553387994 /nfs/dbraw/zinc/38/79/94/553387994.db2.gz PXXNUBQEAQJILX-UHFFFAOYSA-N 1 2 374.372 2.238 20 5 FEBDLO CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000298737190 553466318 /nfs/dbraw/zinc/46/63/18/553466318.db2.gz IVMULGGFACUSJW-CHWSQXEVSA-N 1 2 364.402 2.132 20 5 FEBDLO CCOC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000298737190 553466321 /nfs/dbraw/zinc/46/63/21/553466321.db2.gz IVMULGGFACUSJW-CHWSQXEVSA-N 1 2 364.402 2.132 20 5 FEBDLO O=C(CCNc1ccc([N+](=O)[O-])cc1F)N1CCN(c2cccc[nH+]2)CC1 ZINC000301131901 553624278 /nfs/dbraw/zinc/62/42/78/553624278.db2.gz ZXBZODCDBQSZGA-UHFFFAOYSA-N 1 2 373.388 2.280 20 5 FEBDLO Cn1cc[nH+]c1CN1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000301391158 553648033 /nfs/dbraw/zinc/64/80/33/553648033.db2.gz GYSWBTWKKXQWNL-UHFFFAOYSA-N 1 2 367.356 2.252 20 5 FEBDLO Cc1cc(N2CC[NH+](C[C@@H](C)O)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302645387 553724010 /nfs/dbraw/zinc/72/40/10/553724010.db2.gz FPXVQQGAWXSDEC-LLVKDONJSA-N 1 2 358.236 2.169 20 5 FEBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(N3CCCC[C@H]3CO)nc[nH+]1)CC2 ZINC000302903765 553741376 /nfs/dbraw/zinc/74/13/76/553741376.db2.gz RQFKAPZLJZOMQB-KRWDZBQOSA-N 1 2 369.425 2.299 20 5 FEBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(N3CCCC[C@H]3CO)[nH+]cn1)CC2 ZINC000302903765 553741379 /nfs/dbraw/zinc/74/13/79/553741379.db2.gz RQFKAPZLJZOMQB-KRWDZBQOSA-N 1 2 369.425 2.299 20 5 FEBDLO CCC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000506767127 561708116 /nfs/dbraw/zinc/70/81/16/561708116.db2.gz LHAPEYIKJXKGHX-CYBMUJFWSA-N 1 2 372.443 2.011 20 5 FEBDLO CCC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000506767127 561708117 /nfs/dbraw/zinc/70/81/17/561708117.db2.gz LHAPEYIKJXKGHX-CYBMUJFWSA-N 1 2 372.443 2.011 20 5 FEBDLO Cc1ccc(S(=O)(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1[N+](=O)[O-] ZINC000508070152 561750156 /nfs/dbraw/zinc/75/01/56/561750156.db2.gz UWYKULDQOCEFKO-UHFFFAOYSA-N 1 2 373.394 2.344 20 5 FEBDLO Cc1cn2cc(NC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000508468058 561762933 /nfs/dbraw/zinc/76/29/33/561762933.db2.gz PAQGLXDSCAFROX-LBPRGKRZSA-N 1 2 367.365 2.308 20 5 FEBDLO CC(C)c1n[nH]c(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000331563582 554285590 /nfs/dbraw/zinc/28/55/90/554285590.db2.gz JNGOKTGPGQSCEZ-CYBMUJFWSA-N 1 2 361.377 2.367 20 5 FEBDLO CC(C)c1[nH]nc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000331563582 554285592 /nfs/dbraw/zinc/28/55/92/554285592.db2.gz JNGOKTGPGQSCEZ-CYBMUJFWSA-N 1 2 361.377 2.367 20 5 FEBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000509157517 561787474 /nfs/dbraw/zinc/78/74/74/561787474.db2.gz WLECJTPJDUXHAW-UHFFFAOYSA-N 1 2 363.458 2.442 20 5 FEBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000509157517 561787475 /nfs/dbraw/zinc/78/74/75/561787475.db2.gz WLECJTPJDUXHAW-UHFFFAOYSA-N 1 2 363.458 2.442 20 5 FEBDLO Cc1c(Br)cc(C(=O)NCc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000509891454 561817544 /nfs/dbraw/zinc/81/75/44/561817544.db2.gz TWFGURAQBAODBI-UHFFFAOYSA-N 1 2 353.176 2.329 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000363317630 555077259 /nfs/dbraw/zinc/07/72/59/555077259.db2.gz ZWFKOYBMILGUOA-OLZOCXBDSA-N 1 2 365.434 2.302 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000363317630 555077263 /nfs/dbraw/zinc/07/72/63/555077263.db2.gz ZWFKOYBMILGUOA-OLZOCXBDSA-N 1 2 365.434 2.302 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC000363455052 555109845 /nfs/dbraw/zinc/10/98/45/555109845.db2.gz ALOBXQUDDJNIHB-CYBMUJFWSA-N 1 2 374.441 2.303 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)Nc1ccc(Cl)cn1 ZINC000364340127 555294630 /nfs/dbraw/zinc/29/46/30/555294630.db2.gz RMFKKPYOXRPMOZ-GFCCVEGCSA-N 1 2 364.793 2.115 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)Nc1ccc(Cl)cn1 ZINC000364340127 555294631 /nfs/dbraw/zinc/29/46/31/555294631.db2.gz RMFKKPYOXRPMOZ-GFCCVEGCSA-N 1 2 364.793 2.115 20 5 FEBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000364694025 555376774 /nfs/dbraw/zinc/37/67/74/555376774.db2.gz GCVQPRMXHGGLSC-AWEZNQCLSA-N 1 2 373.413 2.413 20 5 FEBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000364694025 555376776 /nfs/dbraw/zinc/37/67/76/555376776.db2.gz GCVQPRMXHGGLSC-AWEZNQCLSA-N 1 2 373.413 2.413 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000365361154 555553366 /nfs/dbraw/zinc/55/33/66/555553366.db2.gz IJPAKVFJPIZJIF-UHFFFAOYSA-N 1 2 350.806 2.465 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+]CCNC(=O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000513703290 561947267 /nfs/dbraw/zinc/94/72/67/561947267.db2.gz STYDZVVJHZXTBC-MRXNPFEDSA-N 1 2 369.381 2.030 20 5 FEBDLO CCOc1cc(C[NH+]2CCN(c3nccnc3C)CC2)ccc1[N+](=O)[O-] ZINC000366929302 555973843 /nfs/dbraw/zinc/97/38/43/555973843.db2.gz YSYJFGHQUOCZKF-UHFFFAOYSA-N 1 2 357.414 2.414 20 5 FEBDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1ccccc1F ZINC000367787774 556139515 /nfs/dbraw/zinc/13/95/15/556139515.db2.gz ZBWWKUHJOIZEIK-OAHLLOKOSA-N 1 2 370.344 2.195 20 5 FEBDLO Cc1noc(C)c1CO[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000368864514 556432427 /nfs/dbraw/zinc/43/24/27/556432427.db2.gz AYLZTGAAXZYWCH-AWEZNQCLSA-N 1 2 374.397 2.429 20 5 FEBDLO Cc1noc(C)c1CO[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000368864514 556432428 /nfs/dbraw/zinc/43/24/28/556432428.db2.gz AYLZTGAAXZYWCH-AWEZNQCLSA-N 1 2 374.397 2.429 20 5 FEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368971448 556463322 /nfs/dbraw/zinc/46/33/22/556463322.db2.gz BQCLLCQRWCEHHX-KCXAZCMYSA-N 1 2 356.382 2.336 20 5 FEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368971448 556463325 /nfs/dbraw/zinc/46/33/25/556463325.db2.gz BQCLLCQRWCEHHX-KCXAZCMYSA-N 1 2 356.382 2.336 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369002560 556473388 /nfs/dbraw/zinc/47/33/88/556473388.db2.gz QSQXPVSOXXQPOF-HIFRSBDPSA-N 1 2 373.413 2.464 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369002560 556473391 /nfs/dbraw/zinc/47/33/91/556473391.db2.gz QSQXPVSOXXQPOF-HIFRSBDPSA-N 1 2 373.413 2.464 20 5 FEBDLO O=C(N[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1)C1CCC1 ZINC000369063227 556493772 /nfs/dbraw/zinc/49/37/72/556493772.db2.gz JRMHIIIEYFOBJT-CQSZACIVSA-N 1 2 371.397 2.135 20 5 FEBDLO O=C(N[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1)C1CCC1 ZINC000369063227 556493775 /nfs/dbraw/zinc/49/37/75/556493775.db2.gz JRMHIIIEYFOBJT-CQSZACIVSA-N 1 2 371.397 2.135 20 5 FEBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@]2(CCCOC2)O1 ZINC000370711755 556946816 /nfs/dbraw/zinc/94/68/16/556946816.db2.gz XXQKJOZFRXXLDI-UGSOOPFHSA-N 1 2 364.398 2.231 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@]2(CCCOC2)O1 ZINC000370711755 556946818 /nfs/dbraw/zinc/94/68/18/556946818.db2.gz XXQKJOZFRXXLDI-UGSOOPFHSA-N 1 2 364.398 2.231 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000372308834 557435587 /nfs/dbraw/zinc/43/55/87/557435587.db2.gz SUKSLXYHGRYLNB-CQSZACIVSA-N 1 2 358.398 2.422 20 5 FEBDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000372856153 557576183 /nfs/dbraw/zinc/57/61/83/557576183.db2.gz IBTXGZCYYAPMSP-ZBFHGGJFSA-N 1 2 362.336 2.443 20 5 FEBDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000372856153 557576185 /nfs/dbraw/zinc/57/61/85/557576185.db2.gz IBTXGZCYYAPMSP-ZBFHGGJFSA-N 1 2 362.336 2.443 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@](F)(c3ccccc3Cl)C2)c1 ZINC000374525124 557895099 /nfs/dbraw/zinc/89/50/99/557895099.db2.gz XZKFGBMCGLRGLH-CJNGLKHVSA-N 1 2 368.796 2.376 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@](F)(c3ccccc3Cl)C2)c1 ZINC000374525124 557895100 /nfs/dbraw/zinc/89/51/00/557895100.db2.gz XZKFGBMCGLRGLH-CJNGLKHVSA-N 1 2 368.796 2.376 20 5 FEBDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374650532 557912229 /nfs/dbraw/zinc/91/22/29/557912229.db2.gz YCNLGCWLWKMSBF-BWUZBNCSSA-N 1 2 357.332 2.021 20 5 FEBDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374650532 557912230 /nfs/dbraw/zinc/91/22/30/557912230.db2.gz YCNLGCWLWKMSBF-BWUZBNCSSA-N 1 2 357.332 2.021 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000374685551 557916782 /nfs/dbraw/zinc/91/67/82/557916782.db2.gz FDLMTLOMDCLCRU-UHFFFAOYSA-N 1 2 359.405 2.495 20 5 FEBDLO O=C([C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1)N1CCSCC1 ZINC000374784796 557931205 /nfs/dbraw/zinc/93/12/05/557931205.db2.gz YWDRUPAJRYLPLJ-HNNXBMFYSA-N 1 2 353.419 2.274 20 5 FEBDLO O=C([C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1)N1CCSCC1 ZINC000374784796 557931206 /nfs/dbraw/zinc/93/12/06/557931206.db2.gz YWDRUPAJRYLPLJ-HNNXBMFYSA-N 1 2 353.419 2.274 20 5 FEBDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000375396189 558020569 /nfs/dbraw/zinc/02/05/69/558020569.db2.gz CFXRBBCKPIPKQR-STQMWFEESA-N 1 2 371.413 2.071 20 5 FEBDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1CCn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000375396189 558020571 /nfs/dbraw/zinc/02/05/71/558020571.db2.gz CFXRBBCKPIPKQR-STQMWFEESA-N 1 2 371.413 2.071 20 5 FEBDLO CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCN(c2cc[nH+]cc2)CC1 ZINC000375689317 558067816 /nfs/dbraw/zinc/06/78/16/558067816.db2.gz PYVFOXBLYHQOKF-UHFFFAOYSA-N 1 2 356.382 2.436 20 5 FEBDLO Cc1nc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000375766771 558079484 /nfs/dbraw/zinc/07/94/84/558079484.db2.gz XVXVJYGEGBISFH-AAEUAGOBSA-N 1 2 359.386 2.493 20 5 FEBDLO Cc1nc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000375766771 558079486 /nfs/dbraw/zinc/07/94/86/558079486.db2.gz XVXVJYGEGBISFH-AAEUAGOBSA-N 1 2 359.386 2.493 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000375928249 558100905 /nfs/dbraw/zinc/10/09/05/558100905.db2.gz RJEOMJFSXIIPHA-GFCCVEGCSA-N 1 2 362.361 2.252 20 5 FEBDLO Cc1nc2n(c1C[NH+]1CCN(c3ccc(N)cc3[N+](=O)[O-])CC1)CCCC2 ZINC000376456872 558175737 /nfs/dbraw/zinc/17/57/37/558175737.db2.gz YNWOUVCLPQYVCT-UHFFFAOYSA-N 1 2 370.457 2.340 20 5 FEBDLO Cc1[nH+]c2n(c1CN1CCN(c3ccc(N)cc3[N+](=O)[O-])CC1)CCCC2 ZINC000376456872 558175739 /nfs/dbraw/zinc/17/57/39/558175739.db2.gz YNWOUVCLPQYVCT-UHFFFAOYSA-N 1 2 370.457 2.340 20 5 FEBDLO CN(C)c1ncnc(Cl)c1C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000376757976 558217642 /nfs/dbraw/zinc/21/76/42/558217642.db2.gz JYCCPIOQNOKVHG-NSHDSACASA-N 1 2 365.825 2.138 20 5 FEBDLO CN(C)c1ncnc(Cl)c1C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000376757976 558217644 /nfs/dbraw/zinc/21/76/44/558217644.db2.gz JYCCPIOQNOKVHG-NSHDSACASA-N 1 2 365.825 2.138 20 5 FEBDLO Cc1ccc(NCCCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC000376937693 558241721 /nfs/dbraw/zinc/24/17/21/558241721.db2.gz QCQSIVATDUXJHP-CQSZACIVSA-N 1 2 357.414 2.281 20 5 FEBDLO Cc1cc(N2CCC(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)nc[nH+]1 ZINC000378045804 558469086 /nfs/dbraw/zinc/46/90/86/558469086.db2.gz UTLYJYAVMXABBR-VOTSOKGWSA-N 1 2 367.409 2.492 20 5 FEBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000378315007 558527541 /nfs/dbraw/zinc/52/75/41/558527541.db2.gz WAWWSEQNQFCJOL-SNVBAGLBSA-N 1 2 365.187 2.368 20 5 FEBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000378315007 558527542 /nfs/dbraw/zinc/52/75/42/558527542.db2.gz WAWWSEQNQFCJOL-SNVBAGLBSA-N 1 2 365.187 2.368 20 5 FEBDLO COc1cc(C[N@@H+]2CC[C@H](NC(=O)C3CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000378349599 558535904 /nfs/dbraw/zinc/53/59/04/558535904.db2.gz KIIOPRKWCNTTIH-AWEZNQCLSA-N 1 2 363.414 2.103 20 5 FEBDLO COc1cc(C[N@H+]2CC[C@H](NC(=O)C3CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000378349599 558535905 /nfs/dbraw/zinc/53/59/05/558535905.db2.gz KIIOPRKWCNTTIH-AWEZNQCLSA-N 1 2 363.414 2.103 20 5 FEBDLO CN(C(=O)c1c(N)cccc1[N+](=O)[O-])C1CCN(c2cccc[nH+]2)CC1 ZINC000378529759 558576040 /nfs/dbraw/zinc/57/60/40/558576040.db2.gz CGPHLFNAMDJHQX-UHFFFAOYSA-N 1 2 355.398 2.313 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000408183787 558654823 /nfs/dbraw/zinc/65/48/23/558654823.db2.gz UHMQUTQYOGVGDK-DZGCQCFKSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000408183787 558654825 /nfs/dbraw/zinc/65/48/25/558654825.db2.gz UHMQUTQYOGVGDK-DZGCQCFKSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000408183790 558654936 /nfs/dbraw/zinc/65/49/36/558654936.db2.gz UHMQUTQYOGVGDK-ZFWWWQNUSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000408183790 558654939 /nfs/dbraw/zinc/65/49/39/558654939.db2.gz UHMQUTQYOGVGDK-ZFWWWQNUSA-N 1 2 353.444 2.151 20 5 FEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000408315040 558665899 /nfs/dbraw/zinc/66/58/99/558665899.db2.gz FCYOORFCBVYZEU-GHMZBOCLSA-N 1 2 359.423 2.146 20 5 FEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000408315040 558665902 /nfs/dbraw/zinc/66/59/02/558665902.db2.gz FCYOORFCBVYZEU-GHMZBOCLSA-N 1 2 359.423 2.146 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(CC(=O)NCc2ccc[nH+]c2N(C)C)c1F ZINC000411405582 558889108 /nfs/dbraw/zinc/88/91/08/558889108.db2.gz HCNQIBMLDAHPQF-UHFFFAOYSA-N 1 2 362.361 2.062 20 5 FEBDLO COc1cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc([N+](=O)[O-])c1OC ZINC000525580378 562250557 /nfs/dbraw/zinc/25/05/57/562250557.db2.gz QKRWWUZWOPFGRO-UHFFFAOYSA-N 1 2 374.397 2.117 20 5 FEBDLO Cc1nc(C)n(C[C@H]2CN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CCO2)n1 ZINC000413130529 559081162 /nfs/dbraw/zinc/08/11/62/559081162.db2.gz RGXMJYAVYIXLHN-MRXNPFEDSA-N 1 2 368.397 2.257 20 5 FEBDLO C[C@@H](O)[C@@H]1CCN(c2cc(N(C)CCc3cccc([N+](=O)[O-])c3)[nH+]cn2)C1 ZINC000413282149 559095048 /nfs/dbraw/zinc/09/50/48/559095048.db2.gz LNGHJUNTYRGMLR-GDBMZVCRSA-N 1 2 371.441 2.271 20 5 FEBDLO C[C@@H](O)[C@@H]1CCN(c2cc(N(C)CCc3cccc([N+](=O)[O-])c3)nc[nH+]2)C1 ZINC000413282149 559095050 /nfs/dbraw/zinc/09/50/50/559095050.db2.gz LNGHJUNTYRGMLR-GDBMZVCRSA-N 1 2 371.441 2.271 20 5 FEBDLO NS(=O)(=O)c1c(NCc2ccccc2-n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000527199909 562280065 /nfs/dbraw/zinc/28/00/65/562280065.db2.gz IPHPYSIZYPSZQR-UHFFFAOYSA-N 1 2 373.394 2.040 20 5 FEBDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416497078 559317812 /nfs/dbraw/zinc/31/78/12/559317812.db2.gz RDMXRPFCHKUQTC-GFCCVEGCSA-N 1 2 352.416 2.468 20 5 FEBDLO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2cc(F)ccc2C[NH2+]1 ZINC000420460370 559488670 /nfs/dbraw/zinc/48/86/70/559488670.db2.gz MSCLLLUALKYYQF-VIFPVBQESA-N 1 2 371.415 2.482 20 5 FEBDLO CCc1ccc(C[N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000421395130 559541124 /nfs/dbraw/zinc/54/11/24/559541124.db2.gz YFXCSFLEOHHOTN-UHFFFAOYSA-N 1 2 367.427 2.161 20 5 FEBDLO CCc1ccc(C[N@@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000421395130 559541125 /nfs/dbraw/zinc/54/11/25/559541125.db2.gz YFXCSFLEOHHOTN-UHFFFAOYSA-N 1 2 367.427 2.161 20 5 FEBDLO Cc1cc(N2CC[C@@H](c3nnc[nH]3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000425277075 559694560 /nfs/dbraw/zinc/69/45/60/559694560.db2.gz CFFOPUDUXNUGJK-CYBMUJFWSA-N 1 2 351.370 2.472 20 5 FEBDLO Cn1ncc(Br)c1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000425995098 559727094 /nfs/dbraw/zinc/72/70/94/559727094.db2.gz JUPNMZWTHKPNRP-UHFFFAOYSA-N 1 2 365.191 2.257 20 5 FEBDLO Cn1cc(Br)c(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)n1 ZINC000432840108 559866041 /nfs/dbraw/zinc/86/60/41/559866041.db2.gz BDTUIBYQYRVZLE-UHFFFAOYSA-N 1 2 352.192 2.044 20 5 FEBDLO Cn1cc(Br)c(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)n1 ZINC000432840108 559866042 /nfs/dbraw/zinc/86/60/42/559866042.db2.gz BDTUIBYQYRVZLE-UHFFFAOYSA-N 1 2 352.192 2.044 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000439893929 560001609 /nfs/dbraw/zinc/00/16/09/560001609.db2.gz YYCSRBOMEAIINM-UHFFFAOYSA-N 1 2 366.418 2.226 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000439893929 560001610 /nfs/dbraw/zinc/00/16/10/560001610.db2.gz YYCSRBOMEAIINM-UHFFFAOYSA-N 1 2 366.418 2.226 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@]3(CO)CCOc4ccccc43)nc2c1 ZINC000440477269 560011660 /nfs/dbraw/zinc/01/16/60/560011660.db2.gz KRJJDPURRZFJSB-SFHVURJKSA-N 1 2 354.366 2.231 20 5 FEBDLO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000447393387 560161481 /nfs/dbraw/zinc/16/14/81/560161481.db2.gz JPKLYFAJSWIGFD-QWHCGFSZSA-N 1 2 358.822 2.094 20 5 FEBDLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000447393387 560161482 /nfs/dbraw/zinc/16/14/82/560161482.db2.gz JPKLYFAJSWIGFD-QWHCGFSZSA-N 1 2 358.822 2.094 20 5 FEBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H](O)C(F)(F)F ZINC000450315451 560258270 /nfs/dbraw/zinc/25/82/70/560258270.db2.gz DKVWPBIJSJJHHT-MFKMUULPSA-N 1 2 372.303 2.212 20 5 FEBDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)c2ncc([N+](=O)[O-])c(C)n2)on1 ZINC000450467853 560263364 /nfs/dbraw/zinc/26/33/64/560263364.db2.gz MGJDOTPPEFQJRC-STQMWFEESA-N 1 2 364.381 2.038 20 5 FEBDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)c2ncc([N+](=O)[O-])c(C)n2)on1 ZINC000450467853 560263365 /nfs/dbraw/zinc/26/33/65/560263365.db2.gz MGJDOTPPEFQJRC-STQMWFEESA-N 1 2 364.381 2.038 20 5 FEBDLO CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450821365 560274786 /nfs/dbraw/zinc/27/47/86/560274786.db2.gz QMXIDXPUAHUSNW-NEPJUHHUSA-N 1 2 360.370 2.098 20 5 FEBDLO Cc1cncc(-c2nc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)no2)c1 ZINC000450882167 560276647 /nfs/dbraw/zinc/27/66/47/560276647.db2.gz NGHWOQQEYGUBKY-UHFFFAOYSA-N 1 2 369.385 2.382 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)c1nnc2n1CCCC2 ZINC000451404291 560304789 /nfs/dbraw/zinc/30/47/89/560304789.db2.gz NKNSYPYJKMPIFS-UHFFFAOYSA-N 1 2 372.429 2.294 20 5 FEBDLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451680879 560321737 /nfs/dbraw/zinc/32/17/37/560321737.db2.gz ULNCSMJULRGTHC-LGEZUQEUSA-N 1 2 368.393 2.276 20 5 FEBDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000451931609 560338560 /nfs/dbraw/zinc/33/85/60/560338560.db2.gz LLWBOYWNVLGDFW-AWEZNQCLSA-N 1 2 355.460 2.316 20 5 FEBDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000451931609 560338561 /nfs/dbraw/zinc/33/85/61/560338561.db2.gz LLWBOYWNVLGDFW-AWEZNQCLSA-N 1 2 355.460 2.316 20 5 FEBDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 ZINC000451967356 560341079 /nfs/dbraw/zinc/34/10/79/560341079.db2.gz GWCUCBOLRBLMQP-CYBMUJFWSA-N 1 2 355.460 2.316 20 5 FEBDLO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1c[nH+]c2n1CCCC2 ZINC000452335152 560358439 /nfs/dbraw/zinc/35/84/39/560358439.db2.gz PMBDLNKIYVCKPC-UHFFFAOYSA-N 1 2 358.354 2.080 20 5 FEBDLO C[C@@H]1C[C@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c2[nH+]ccn21 ZINC000455492167 560484322 /nfs/dbraw/zinc/48/43/22/560484322.db2.gz XRGNGBRFVUCLNI-CJNGLKHVSA-N 1 2 370.413 2.329 20 5 FEBDLO CCc1ccc(C(=O)NC(C)(C)C[NH+]2CCN(CC)CC2)cc1[N+](=O)[O-] ZINC000456897937 560536369 /nfs/dbraw/zinc/53/63/69/560536369.db2.gz KSUOZGBFCFZRSB-UHFFFAOYSA-N 1 2 362.474 2.303 20 5 FEBDLO CC(C)OC1CC([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000459294006 560677970 /nfs/dbraw/zinc/67/79/70/560677970.db2.gz GJAJMGXQKPJBCM-UHFFFAOYSA-N 1 2 353.444 2.370 20 5 FEBDLO CCOC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000459710980 560703700 /nfs/dbraw/zinc/70/37/00/560703700.db2.gz LQDAMKXCEYCNSS-ZDUSSCGKSA-N 1 2 351.403 2.433 20 5 FEBDLO CCOC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000459710980 560703701 /nfs/dbraw/zinc/70/37/01/560703701.db2.gz LQDAMKXCEYCNSS-ZDUSSCGKSA-N 1 2 351.403 2.433 20 5 FEBDLO CCC(CC)[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000461251336 560764831 /nfs/dbraw/zinc/76/48/31/560764831.db2.gz COOKXVUICOKFBL-SFHVURJKSA-N 1 2 363.458 2.391 20 5 FEBDLO CC/C=C\CC[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000466801096 560896044 /nfs/dbraw/zinc/89/60/44/560896044.db2.gz LHDGDFUZSZDYAB-PLNGDYQASA-N 1 2 367.471 2.477 20 5 FEBDLO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1cccc2[nH+]ccn21 ZINC000467094650 560903525 /nfs/dbraw/zinc/90/35/25/560903525.db2.gz JPJDBWLNHZDMBT-UHFFFAOYSA-N 1 2 354.322 2.195 20 5 FEBDLO CN(Cc1ccc(N)[nH+]c1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000468437527 560929941 /nfs/dbraw/zinc/92/99/41/560929941.db2.gz TVPPLUCBXNBQCX-UHFFFAOYSA-N 1 2 366.381 2.173 20 5 FEBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000469176071 560949044 /nfs/dbraw/zinc/94/90/44/560949044.db2.gz ZBOUNENKWJWVEG-GASCZTMLSA-N 1 2 363.458 2.440 20 5 FEBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000469176071 560949045 /nfs/dbraw/zinc/94/90/45/560949045.db2.gz ZBOUNENKWJWVEG-GASCZTMLSA-N 1 2 363.458 2.440 20 5 FEBDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000474229399 561068913 /nfs/dbraw/zinc/06/89/13/561068913.db2.gz VUKQPOPMITXKCZ-GOEBONIOSA-N 1 2 366.414 2.141 20 5 FEBDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000474229399 561068914 /nfs/dbraw/zinc/06/89/14/561068914.db2.gz VUKQPOPMITXKCZ-GOEBONIOSA-N 1 2 366.414 2.141 20 5 FEBDLO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[NH+](Cc2cccnc2)CC1 ZINC000534245257 562528372 /nfs/dbraw/zinc/52/83/72/562528372.db2.gz HCCMKGMYIUQDEW-UHFFFAOYSA-N 1 2 365.393 2.429 20 5 FEBDLO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[NH+](Cc2ccccn2)CC1 ZINC000534983256 562546901 /nfs/dbraw/zinc/54/69/01/562546901.db2.gz QNCQWPYXQGVBCU-UHFFFAOYSA-N 1 2 365.393 2.429 20 5 FEBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000535021116 562548156 /nfs/dbraw/zinc/54/81/56/562548156.db2.gz HVTWSUFIYPYXLK-GOEBONIOSA-N 1 2 364.352 2.387 20 5 FEBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000535021116 562548157 /nfs/dbraw/zinc/54/81/57/562548157.db2.gz HVTWSUFIYPYXLK-GOEBONIOSA-N 1 2 364.352 2.387 20 5 FEBDLO CCOC(=O)[C@@H](CC(C)C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000541072253 562602182 /nfs/dbraw/zinc/60/21/82/562602182.db2.gz ZAQQNAJXODFVSP-OAHLLOKOSA-N 1 2 350.419 2.090 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](CCO)c1ccccc1Br ZINC000541953952 562624312 /nfs/dbraw/zinc/62/43/12/562624312.db2.gz YFJUWFGNGHQKRO-LBPRGKRZSA-N 1 2 369.219 2.304 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601727633 567827888 /nfs/dbraw/zinc/82/78/88/567827888.db2.gz HGEVHPKFRIBSLY-UHFFFAOYSA-N 1 2 359.357 2.398 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000821845235 607478833 /nfs/dbraw/zinc/47/88/33/607478833.db2.gz DHCDGVLCXYGEAI-UHFFFAOYSA-N 1 2 358.333 2.212 20 5 FEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000809844868 674516110 /nfs/dbraw/zinc/51/61/10/674516110.db2.gz XHGHPWHLIIQTFQ-SECBINFHSA-N 1 2 365.814 2.102 20 5 FEBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000809844868 674516111 /nfs/dbraw/zinc/51/61/11/674516111.db2.gz XHGHPWHLIIQTFQ-SECBINFHSA-N 1 2 365.814 2.102 20 5 FEBDLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000809883900 674518520 /nfs/dbraw/zinc/51/85/20/674518520.db2.gz XIWILZVDWAUJGV-UHFFFAOYSA-N 1 2 354.164 2.413 20 5 FEBDLO C[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000820728055 607047555 /nfs/dbraw/zinc/04/75/55/607047555.db2.gz RVNYJGDZVMNKPY-ABAIWWIYSA-N 1 2 354.374 2.059 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1 ZINC000815142598 674923687 /nfs/dbraw/zinc/92/36/87/674923687.db2.gz WGRXJOGMZWHQLN-AWEZNQCLSA-N 1 2 351.794 2.169 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1 ZINC000815142598 674923689 /nfs/dbraw/zinc/92/36/89/674923689.db2.gz WGRXJOGMZWHQLN-AWEZNQCLSA-N 1 2 351.794 2.169 20 5 FEBDLO C[C@@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C)[NH+]1CCOCC1 ZINC000104975981 670797449 /nfs/dbraw/zinc/79/74/49/670797449.db2.gz ULWBGXGJUSDFQV-GHMZBOCLSA-N 1 2 356.810 2.479 20 5 FEBDLO Cc1ccc(S(=O)(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1[N+](=O)[O-] ZINC000608909048 675906824 /nfs/dbraw/zinc/90/68/24/675906824.db2.gz NZFULDPRVDBHPW-UHFFFAOYSA-N 1 2 359.367 2.285 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000129519467 672062921 /nfs/dbraw/zinc/06/29/21/672062921.db2.gz RRHKKSQNYNGTPL-UHFFFAOYSA-N 1 2 361.851 2.271 20 5 FEBDLO CC(C)(O)C[NH+]1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596105203 673359316 /nfs/dbraw/zinc/35/93/16/673359316.db2.gz SRBJXJOSAMBWLY-UHFFFAOYSA-N 1 2 358.236 2.250 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000597993548 673527443 /nfs/dbraw/zinc/52/74/43/673527443.db2.gz GYBHYEPTVMXZRV-VXGBXAGGSA-N 1 2 355.822 2.396 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000597993548 673527446 /nfs/dbraw/zinc/52/74/46/673527446.db2.gz GYBHYEPTVMXZRV-VXGBXAGGSA-N 1 2 355.822 2.396 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])s1 ZINC000601370521 673849838 /nfs/dbraw/zinc/84/98/38/673849838.db2.gz TXHLLTKXFAXBES-CMPLNLGQSA-N 1 2 370.456 2.433 20 5 FEBDLO CO[C@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@](C)(CO)C1 ZINC000602962356 673914889 /nfs/dbraw/zinc/91/48/89/673914889.db2.gz JRFCGAMELAVVAF-OCCSQVGLSA-N 1 2 359.220 2.329 20 5 FEBDLO CO[C@H]1C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@](C)(CO)C1 ZINC000602962356 673914892 /nfs/dbraw/zinc/91/48/92/673914892.db2.gz JRFCGAMELAVVAF-OCCSQVGLSA-N 1 2 359.220 2.329 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000822709722 675501857 /nfs/dbraw/zinc/50/18/57/675501857.db2.gz BYZPRYWJDCWGGV-UHFFFAOYSA-N 1 2 353.444 2.157 20 5 FEBDLO O=C(NC[C@H]1CSCCS1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000826753204 675703545 /nfs/dbraw/zinc/70/35/45/675703545.db2.gz OOPRAZPFXRDHIB-LBPRGKRZSA-N 1 2 364.452 2.359 20 5 FEBDLO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000839720189 680774349 /nfs/dbraw/zinc/77/43/49/680774349.db2.gz IRWBHNVPGDLFSV-MSQAHXEGSA-N 1 2 353.369 2.270 20 5 FEBDLO CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000839720189 680774350 /nfs/dbraw/zinc/77/43/50/680774350.db2.gz IRWBHNVPGDLFSV-MSQAHXEGSA-N 1 2 353.369 2.270 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1Cl ZINC000836568432 680484776 /nfs/dbraw/zinc/48/47/76/680484776.db2.gz WFKQBRDVBZSKLQ-UHFFFAOYSA-N 1 2 355.822 2.397 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1Cl ZINC000836568432 680484779 /nfs/dbraw/zinc/48/47/79/680484779.db2.gz WFKQBRDVBZSKLQ-UHFFFAOYSA-N 1 2 355.822 2.397 20 5 FEBDLO CC[C@@H]1C[N@H+](Cn2nccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000756909753 680504459 /nfs/dbraw/zinc/50/44/59/680504459.db2.gz MIELVUPDBVZGPD-CHWSQXEVSA-N 1 2 353.423 2.374 20 5 FEBDLO CC[C@@H]1C[N@@H+](Cn2nccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000756909753 680504463 /nfs/dbraw/zinc/50/44/63/680504463.db2.gz MIELVUPDBVZGPD-CHWSQXEVSA-N 1 2 353.423 2.374 20 5 FEBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCCc2ccc(Cl)cc2)C1 ZINC001042710723 680539575 /nfs/dbraw/zinc/53/95/75/680539575.db2.gz GVSQFLRERYOZDI-HZPDHXFCSA-N 1 2 351.834 2.080 20 5 FEBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC001005377307 680573300 /nfs/dbraw/zinc/57/33/00/680573300.db2.gz ANRORBFWWFLUGM-CZUORRHYSA-N 1 2 353.369 2.053 20 5 FEBDLO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC001045436179 680629328 /nfs/dbraw/zinc/62/93/28/680629328.db2.gz LJXJSUPMLURNTA-UKRRQHHQSA-N 1 2 353.369 2.101 20 5 FEBDLO COc1cccc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)c1[N+](=O)[O-] ZINC000767968628 680933635 /nfs/dbraw/zinc/93/36/35/680933635.db2.gz FTEGQLCPVQQMFW-UHFFFAOYSA-N 1 2 357.357 2.405 20 5 FEBDLO COc1cccc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)c1[N+](=O)[O-] ZINC000767968628 680933638 /nfs/dbraw/zinc/93/36/38/680933638.db2.gz FTEGQLCPVQQMFW-UHFFFAOYSA-N 1 2 357.357 2.405 20 5 FEBDLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000842961369 680977465 /nfs/dbraw/zinc/97/74/65/680977465.db2.gz HQJLYECTOVVVFJ-DGCLKSJQSA-N 1 2 372.805 2.141 20 5 FEBDLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000842961369 680977467 /nfs/dbraw/zinc/97/74/67/680977467.db2.gz HQJLYECTOVVVFJ-DGCLKSJQSA-N 1 2 372.805 2.141 20 5 FEBDLO COCC1(O)CC[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774638260 681214491 /nfs/dbraw/zinc/21/44/91/681214491.db2.gz FLDKOPSSEGGGLG-UHFFFAOYSA-N 1 2 354.794 2.029 20 5 FEBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000874700682 685448882 /nfs/dbraw/zinc/44/88/82/685448882.db2.gz SABQYFNPQRSISO-GFCCVEGCSA-N 1 2 353.444 2.157 20 5 FEBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000874700682 685448885 /nfs/dbraw/zinc/44/88/85/685448885.db2.gz SABQYFNPQRSISO-GFCCVEGCSA-N 1 2 353.444 2.157 20 5 FEBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000874700683 685449123 /nfs/dbraw/zinc/44/91/23/685449123.db2.gz SABQYFNPQRSISO-LBPRGKRZSA-N 1 2 353.444 2.157 20 5 FEBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000874700683 685449128 /nfs/dbraw/zinc/44/91/28/685449128.db2.gz SABQYFNPQRSISO-LBPRGKRZSA-N 1 2 353.444 2.157 20 5 FEBDLO O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000913385305 685476138 /nfs/dbraw/zinc/47/61/38/685476138.db2.gz XGMAZWJBCUOZKN-SNVBAGLBSA-N 1 2 352.753 2.463 20 5 FEBDLO O=C(OCCO[C@@H]1CC1(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000849766709 681800045 /nfs/dbraw/zinc/80/00/45/681800045.db2.gz PUGZSZCLQQAZML-CYBMUJFWSA-N 1 2 353.281 2.362 20 5 FEBDLO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000851820700 682147838 /nfs/dbraw/zinc/14/78/38/682147838.db2.gz FTTUKRDXXPBGDF-SECBINFHSA-N 1 2 365.814 2.150 20 5 FEBDLO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000851820700 682147843 /nfs/dbraw/zinc/14/78/43/682147843.db2.gz FTTUKRDXXPBGDF-SECBINFHSA-N 1 2 365.814 2.150 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000784913926 682260683 /nfs/dbraw/zinc/26/06/83/682260683.db2.gz IBTFKGOXUTXWTK-LBPRGKRZSA-N 1 2 372.805 2.281 20 5 FEBDLO Cc1cc(Cl)c(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000854249440 682529448 /nfs/dbraw/zinc/52/94/48/682529448.db2.gz CKWCRPATAQZARB-ZDUSSCGKSA-N 1 2 367.833 2.493 20 5 FEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)[C@@H](C)C1 ZINC000796070717 683124641 /nfs/dbraw/zinc/12/46/41/683124641.db2.gz OVWZOUPAWGZUMS-NSHDSACASA-N 1 2 361.851 2.271 20 5 FEBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)[C@@H](C)C1 ZINC000796070717 683124643 /nfs/dbraw/zinc/12/46/43/683124643.db2.gz OVWZOUPAWGZUMS-NSHDSACASA-N 1 2 361.851 2.271 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000930315470 683709613 /nfs/dbraw/zinc/70/96/13/683709613.db2.gz KFKLCBHTQUACSE-CYBMUJFWSA-N 1 2 350.419 2.396 20 5 FEBDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CC[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000931177399 683846849 /nfs/dbraw/zinc/84/68/49/683846849.db2.gz XZDMFZITNRSJKB-GHMZBOCLSA-N 1 2 355.357 2.288 20 5 FEBDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](CC[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000931177399 683846852 /nfs/dbraw/zinc/84/68/52/683846852.db2.gz XZDMFZITNRSJKB-GHMZBOCLSA-N 1 2 355.357 2.288 20 5 FEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000932005833 684387614 /nfs/dbraw/zinc/38/76/14/684387614.db2.gz XNAZOWAMBHIQAN-MNOVXSKESA-N 1 2 369.805 2.270 20 5 FEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000932005833 684387618 /nfs/dbraw/zinc/38/76/18/684387618.db2.gz XNAZOWAMBHIQAN-MNOVXSKESA-N 1 2 369.805 2.270 20 5 FEBDLO Cc1nc([N+](=O)[O-])c(Br)n1Cc1[nH+]ccn1CC(F)F ZINC000871650022 684840821 /nfs/dbraw/zinc/84/08/21/684840821.db2.gz QFFBIGXFWUKSAG-UHFFFAOYSA-N 1 2 350.123 2.372 20 5 FEBDLO C[C@H](NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000876405162 686199303 /nfs/dbraw/zinc/19/93/03/686199303.db2.gz KVNFUDDOHNGEFP-RDBSUJKOSA-N 1 2 350.419 2.064 20 5 FEBDLO C[C@H](NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000876405162 686199306 /nfs/dbraw/zinc/19/93/06/686199306.db2.gz KVNFUDDOHNGEFP-RDBSUJKOSA-N 1 2 350.419 2.064 20 5 FEBDLO Cn1ncc([N+](=O)[O-])c1N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000893057548 689289753 /nfs/dbraw/zinc/28/97/53/689289753.db2.gz ZJOPLLMPSBZCLV-CABCVRRESA-N 1 2 365.821 2.466 20 5 FEBDLO Cn1ncc([N+](=O)[O-])c1N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000893057548 689289755 /nfs/dbraw/zinc/28/97/55/689289755.db2.gz ZJOPLLMPSBZCLV-CABCVRRESA-N 1 2 365.821 2.466 20 5 FEBDLO C[C@H]([C@H](C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000900592644 690535903 /nfs/dbraw/zinc/53/59/03/690535903.db2.gz KRIVJJWPGITMBK-VHSXEESVSA-N 1 2 359.785 2.226 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3nnc(-c4ccccc4)o3)CC2)cn1 ZINC000026483379 539787433 /nfs/dbraw/zinc/78/74/33/539787433.db2.gz LPGSLBKYYRJHOY-UHFFFAOYSA-N 1 2 366.381 2.362 20 5 FEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1F ZINC000030000301 539872387 /nfs/dbraw/zinc/87/23/87/539872387.db2.gz KPTHVUPAFAXSJQ-HNNXBMFYSA-N 1 2 357.345 2.325 20 5 FEBDLO CNC(=O)c1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000033241406 539972221 /nfs/dbraw/zinc/97/22/21/539972221.db2.gz VFRBJRITXSNGDI-UHFFFAOYSA-N 1 2 365.349 2.392 20 5 FEBDLO CCCNC(=O)C1CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000042685497 540074099 /nfs/dbraw/zinc/07/40/99/540074099.db2.gz WUEOGORKGOWCKK-UHFFFAOYSA-N 1 2 362.430 2.080 20 5 FEBDLO CN(C)c1[nH+]cccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000049727207 540392442 /nfs/dbraw/zinc/39/24/42/540392442.db2.gz HBQAFTBNHWHQFQ-UHFFFAOYSA-N 1 2 352.354 2.494 20 5 FEBDLO CCCCNC(=O)C[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000051401285 540433181 /nfs/dbraw/zinc/43/31/81/540433181.db2.gz ARGKTOVWSATCKV-UHFFFAOYSA-N 1 2 371.441 2.181 20 5 FEBDLO Cc1cc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000051476066 540436196 /nfs/dbraw/zinc/43/61/96/540436196.db2.gz QBDQSROGCPCHRF-UHFFFAOYSA-N 1 2 360.458 2.428 20 5 FEBDLO CCCNC(=O)C[N@H+](CCC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000052246844 540460223 /nfs/dbraw/zinc/46/02/23/540460223.db2.gz QNOUBTDLKLHTOR-UHFFFAOYSA-N 1 2 361.402 2.383 20 5 FEBDLO CCCNC(=O)C[N@@H+](CCC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000052246844 540460224 /nfs/dbraw/zinc/46/02/24/540460224.db2.gz QNOUBTDLKLHTOR-UHFFFAOYSA-N 1 2 361.402 2.383 20 5 FEBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccnc2)CC1 ZINC000066312702 541300531 /nfs/dbraw/zinc/30/05/31/541300531.db2.gz JBESGVCVAWHKBL-BQYQJAHWSA-N 1 2 352.394 2.347 20 5 FEBDLO NS(=O)(=O)c1cc(NCc2ccc(-n3cc[nH+]c3)cc2)cc([N+](=O)[O-])c1 ZINC000066372244 541309322 /nfs/dbraw/zinc/30/93/22/541309322.db2.gz LAYPAFVWHDPASO-UHFFFAOYSA-N 1 2 373.394 2.040 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000066472217 541322489 /nfs/dbraw/zinc/32/24/89/541322489.db2.gz LCHINONPZHFSTJ-HNNXBMFYSA-N 1 2 365.455 2.318 20 5 FEBDLO Cc1cccc2[nH+]c(CNC(=O)NCCOc3ccc([N+](=O)[O-])cc3)cn21 ZINC000069149549 541662688 /nfs/dbraw/zinc/66/26/88/541662688.db2.gz OUVUEQSMHRQZFX-UHFFFAOYSA-N 1 2 369.381 2.429 20 5 FEBDLO C[N@@H+](Cc1nccn1C(F)F)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000071951878 541776324 /nfs/dbraw/zinc/77/63/24/541776324.db2.gz AOJZVTFJQXBSKJ-LBPRGKRZSA-N 1 2 356.329 2.058 20 5 FEBDLO C[N@H+](Cc1nccn1C(F)F)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000071951878 541776326 /nfs/dbraw/zinc/77/63/26/541776326.db2.gz AOJZVTFJQXBSKJ-LBPRGKRZSA-N 1 2 356.329 2.058 20 5 FEBDLO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000047031460 205141610 /nfs/dbraw/zinc/14/16/10/205141610.db2.gz YQYPTQVQIZITTK-AWEZNQCLSA-N 1 2 353.400 2.077 20 5 FEBDLO CCn1cc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC000072989231 541904255 /nfs/dbraw/zinc/90/42/55/541904255.db2.gz BJOVCLXICNAKRD-GFCCVEGCSA-N 1 2 361.402 2.279 20 5 FEBDLO CCn1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC000072989231 541904259 /nfs/dbraw/zinc/90/42/59/541904259.db2.gz BJOVCLXICNAKRD-GFCCVEGCSA-N 1 2 361.402 2.279 20 5 FEBDLO C[N@@H+]1CCc2nc(NC(=O)CCNc3ccccc3[N+](=O)[O-])sc2C1 ZINC000105568053 206006691 /nfs/dbraw/zinc/00/66/91/206006691.db2.gz PXJDIQNJFYXHQO-UHFFFAOYSA-N 1 2 361.427 2.480 20 5 FEBDLO C[N@H+]1CCc2nc(NC(=O)CCNc3ccccc3[N+](=O)[O-])sc2C1 ZINC000105568053 206006694 /nfs/dbraw/zinc/00/66/94/206006694.db2.gz PXJDIQNJFYXHQO-UHFFFAOYSA-N 1 2 361.427 2.480 20 5 FEBDLO COc1ccc(CSCC(=O)NCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000075536781 542186620 /nfs/dbraw/zinc/18/66/20/542186620.db2.gz FTUBSEVPXPUPCI-UHFFFAOYSA-N 1 2 364.427 2.240 20 5 FEBDLO O=C(CCNc1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000080971273 542621052 /nfs/dbraw/zinc/62/10/52/542621052.db2.gz GRMXFFHXVUSUGH-UHFFFAOYSA-N 1 2 355.398 2.141 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)c1 ZINC000088698985 542755737 /nfs/dbraw/zinc/75/57/37/542755737.db2.gz VVAKNYTUTNXHBA-UHFFFAOYSA-N 1 2 360.458 2.428 20 5 FEBDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000092510234 542867418 /nfs/dbraw/zinc/86/74/18/542867418.db2.gz LQWVLBCCVZZZTC-CQSZACIVSA-N 1 2 365.430 2.445 20 5 FEBDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000092510234 542867423 /nfs/dbraw/zinc/86/74/23/542867423.db2.gz LQWVLBCCVZZZTC-CQSZACIVSA-N 1 2 365.430 2.445 20 5 FEBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000069002097 136137850 /nfs/dbraw/zinc/13/78/50/136137850.db2.gz NPMFKHFGWUCVMR-UHFFFAOYSA-N 1 2 355.398 2.018 20 5 FEBDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118865982 543659975 /nfs/dbraw/zinc/65/99/75/543659975.db2.gz VHAYFGCWPRRSEJ-YCPHGPKFSA-N 1 2 361.446 2.171 20 5 FEBDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118865982 543659977 /nfs/dbraw/zinc/65/99/77/543659977.db2.gz VHAYFGCWPRRSEJ-YCPHGPKFSA-N 1 2 361.446 2.171 20 5 FEBDLO COc1cc(OCC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000123303879 543754008 /nfs/dbraw/zinc/75/40/08/543754008.db2.gz LUEJJNOTEQSYFG-CJNGLKHVSA-N 1 2 374.397 2.288 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](Cc2ccncc2)CC1 ZINC000124349505 543815656 /nfs/dbraw/zinc/81/56/56/543815656.db2.gz SEUCLCASUFTMHJ-UHFFFAOYSA-N 1 2 358.373 2.016 20 5 FEBDLO CC(C)c1ccc(CN2CC[NH+](CC(=O)NC3CC3)CC2)cc1[N+](=O)[O-] ZINC000127885372 544019434 /nfs/dbraw/zinc/01/94/34/544019434.db2.gz SGLKUMIGCFXLFQ-UHFFFAOYSA-N 1 2 360.458 2.114 20 5 FEBDLO CC(C)c1ccc(C[NH+]2CCN(CC(=O)NC3CC3)CC2)cc1[N+](=O)[O-] ZINC000127885372 544019438 /nfs/dbraw/zinc/01/94/38/544019438.db2.gz SGLKUMIGCFXLFQ-UHFFFAOYSA-N 1 2 360.458 2.114 20 5 FEBDLO C[NH+](C)[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccco1 ZINC000129077594 544089515 /nfs/dbraw/zinc/08/95/15/544089515.db2.gz NAJLFBSMLJBCDB-JTQLQIEISA-N 1 2 359.429 2.368 20 5 FEBDLO O=C(CN1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000129279514 544103044 /nfs/dbraw/zinc/10/30/44/544103044.db2.gz GLJUYXRZDFCTLP-VMPITWQZSA-N 1 2 372.469 2.238 20 5 FEBDLO O=C(CN1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000129279514 544103047 /nfs/dbraw/zinc/10/30/47/544103047.db2.gz GLJUYXRZDFCTLP-VMPITWQZSA-N 1 2 372.469 2.238 20 5 FEBDLO O=C(c1ccc(O)cc1)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000131050652 544175590 /nfs/dbraw/zinc/17/55/90/544175590.db2.gz KQLJVNLRJSCCEC-UHFFFAOYSA-N 1 2 371.393 2.137 20 5 FEBDLO Cn1ccnc1[C@H](NCC[NH+]1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000552247224 674197434 /nfs/dbraw/zinc/19/74/34/674197434.db2.gz GYAYMBISDLYPQB-MRXNPFEDSA-N 1 2 361.471 2.056 20 5 FEBDLO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000131749758 544204859 /nfs/dbraw/zinc/20/48/59/544204859.db2.gz HGRBVQJBKJYPTA-UHFFFAOYSA-N 1 2 360.395 2.404 20 5 FEBDLO CC[C@@H](c1ccccc1)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)OC ZINC000133279730 544263131 /nfs/dbraw/zinc/26/31/31/544263131.db2.gz MLTNTNYDJJOOHI-KRWDZBQOSA-N 1 2 373.409 2.383 20 5 FEBDLO CC[C@@H](c1ccccc1)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)OC ZINC000133279730 544263132 /nfs/dbraw/zinc/26/31/32/544263132.db2.gz MLTNTNYDJJOOHI-KRWDZBQOSA-N 1 2 373.409 2.383 20 5 FEBDLO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000133838850 544285171 /nfs/dbraw/zinc/28/51/71/544285171.db2.gz LSFZBYJSXACWEN-UHFFFAOYSA-N 1 2 358.398 2.082 20 5 FEBDLO Cn1ncc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C(F)(F)F ZINC000151566568 544557318 /nfs/dbraw/zinc/55/73/18/544557318.db2.gz DYOSXMAXULMOTA-NSHDSACASA-N 1 2 370.335 2.429 20 5 FEBDLO Cn1ncc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C(F)(F)F ZINC000151566568 544557322 /nfs/dbraw/zinc/55/73/22/544557322.db2.gz DYOSXMAXULMOTA-NSHDSACASA-N 1 2 370.335 2.429 20 5 FEBDLO COc1ccccc1CNC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153207662 544746199 /nfs/dbraw/zinc/74/61/99/544746199.db2.gz HYFWVAUDJVMJLH-UHFFFAOYSA-N 1 2 355.394 2.278 20 5 FEBDLO COc1ccccc1CNC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153207662 544746203 /nfs/dbraw/zinc/74/62/03/544746203.db2.gz HYFWVAUDJVMJLH-UHFFFAOYSA-N 1 2 355.394 2.278 20 5 FEBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154357543 544895581 /nfs/dbraw/zinc/89/55/81/544895581.db2.gz VNTXXPLHWMXVBY-HNAYVOBHSA-N 1 2 356.426 2.402 20 5 FEBDLO C[C@@H](c1cccnc1)N1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154357543 544895582 /nfs/dbraw/zinc/89/55/82/544895582.db2.gz VNTXXPLHWMXVBY-HNAYVOBHSA-N 1 2 356.426 2.402 20 5 FEBDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804541587 674291378 /nfs/dbraw/zinc/29/13/78/674291378.db2.gz FDRIGVTVKJMCCK-CYBMUJFWSA-N 1 2 366.849 2.381 20 5 FEBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@H](O)COc3ccc(F)cc3)C2)cc1 ZINC000189463669 328149944 /nfs/dbraw/zinc/14/99/44/328149944.db2.gz JLNYSJLPTDOFGZ-HNNXBMFYSA-N 1 2 362.357 2.237 20 5 FEBDLO O=C(NCc1ccn2cc[nH+]c2c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000189951428 328178422 /nfs/dbraw/zinc/17/84/22/328178422.db2.gz CMEMVCRNJMLUMG-UHFFFAOYSA-N 1 2 367.365 2.215 20 5 FEBDLO O=[N+]([O-])c1cnc(NCc2cccc(OCC[NH+]3CCOCC3)c2)s1 ZINC000190321793 328200325 /nfs/dbraw/zinc/20/03/25/328200325.db2.gz AJIMWFRCATVWMM-UHFFFAOYSA-N 1 2 364.427 2.374 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC(=O)Nc2ccccc21 ZINC000193150471 328359901 /nfs/dbraw/zinc/35/99/01/328359901.db2.gz IBGAYCQOGAKMSC-UHFFFAOYSA-N 1 2 363.333 2.379 20 5 FEBDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193699518 328390292 /nfs/dbraw/zinc/39/02/92/328390292.db2.gz LOGGLPBUZPRJRU-LBPRGKRZSA-N 1 2 352.347 2.214 20 5 FEBDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193699518 328390293 /nfs/dbraw/zinc/39/02/93/328390293.db2.gz LOGGLPBUZPRJRU-LBPRGKRZSA-N 1 2 352.347 2.214 20 5 FEBDLO COC(=O)CC1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCC1 ZINC000193909106 328401372 /nfs/dbraw/zinc/40/13/72/328401372.db2.gz HMZHWCJRCMRBOJ-UHFFFAOYSA-N 1 2 372.381 2.386 20 5 FEBDLO Cn1c2ccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)cc2[nH+]c1C(C)(C)C ZINC000089870709 325338026 /nfs/dbraw/zinc/33/80/26/325338026.db2.gz UVTMOKQPHNMKSQ-UHFFFAOYSA-N 1 2 357.374 2.009 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089969382 325346681 /nfs/dbraw/zinc/34/66/81/325346681.db2.gz AXBRLOILCPLVGV-JTQLQIEISA-N 1 2 361.320 2.311 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C2 ZINC000090167885 325355858 /nfs/dbraw/zinc/35/58/58/325355858.db2.gz UDQKFRBWANNJDP-CYBMUJFWSA-N 1 2 364.427 2.010 20 5 FEBDLO CC(C)NC(=O)c1ccc(NCC(C)(C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000105432780 325567273 /nfs/dbraw/zinc/56/72/73/325567273.db2.gz RDFRDNCYXATJFV-UHFFFAOYSA-N 1 2 364.446 2.256 20 5 FEBDLO COCCOC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000116825451 326037073 /nfs/dbraw/zinc/03/70/73/326037073.db2.gz ZFSNQSPVGCVOKX-UHFFFAOYSA-N 1 2 374.397 2.048 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](OCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000119798222 326199627 /nfs/dbraw/zinc/19/96/27/326199627.db2.gz DSFRZBIDDCHVMK-AWEZNQCLSA-N 1 2 351.403 2.289 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](OCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000119798222 326199630 /nfs/dbraw/zinc/19/96/30/326199630.db2.gz DSFRZBIDDCHVMK-AWEZNQCLSA-N 1 2 351.403 2.289 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[NH+](CCO)CC1 ZINC000119923492 326212661 /nfs/dbraw/zinc/21/26/61/326212661.db2.gz NUKOJTBLPHJWEU-UHFFFAOYSA-N 1 2 371.393 2.137 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000121301815 326328162 /nfs/dbraw/zinc/32/81/62/326328162.db2.gz PTNVCASMNXVLOX-SNVBAGLBSA-N 1 2 370.818 2.046 20 5 FEBDLO Cc1cc(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)cc([N+](=O)[O-])c1 ZINC000122043372 326381658 /nfs/dbraw/zinc/38/16/58/326381658.db2.gz WMNCMDQPZHAFJD-CQSZACIVSA-N 1 2 370.409 2.453 20 5 FEBDLO COc1c(C)c[nH+]c(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)c1C ZINC000130865158 326564589 /nfs/dbraw/zinc/56/45/89/326564589.db2.gz LEXPCHCTYQLZTB-UHFFFAOYSA-N 1 2 356.338 2.480 20 5 FEBDLO CN(Cc1ccc(N)[nH+]c1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000135985390 326648901 /nfs/dbraw/zinc/64/89/01/326648901.db2.gz AMFMIVOMHUJRDD-UHFFFAOYSA-N 1 2 372.353 2.205 20 5 FEBDLO C[C@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000151266550 326678256 /nfs/dbraw/zinc/67/82/56/326678256.db2.gz XIEGXJAMUQGRAG-FZMZJTMJSA-N 1 2 368.390 2.202 20 5 FEBDLO C[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000151266490 326678269 /nfs/dbraw/zinc/67/82/69/326678269.db2.gz XIEGXJAMUQGRAG-RISCZKNCSA-N 1 2 368.390 2.202 20 5 FEBDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000159764996 326941261 /nfs/dbraw/zinc/94/12/61/326941261.db2.gz KRXXURXQCRQTAB-LLVKDONJSA-N 1 2 357.407 2.126 20 5 FEBDLO Cc1c(CC(=O)N2CC[NH+](Cc3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000159863211 326944719 /nfs/dbraw/zinc/94/47/19/326944719.db2.gz SDGSGKDVRHBJDM-UHFFFAOYSA-N 1 2 354.410 2.185 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H](C2OCCO2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000171378127 327135662 /nfs/dbraw/zinc/13/56/62/327135662.db2.gz QRMBTKFFWKYDJH-NSHDSACASA-N 1 2 369.805 2.272 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H](C2OCCO2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000171378127 327135663 /nfs/dbraw/zinc/13/56/63/327135663.db2.gz QRMBTKFFWKYDJH-NSHDSACASA-N 1 2 369.805 2.272 20 5 FEBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000171422856 327138446 /nfs/dbraw/zinc/13/84/46/327138446.db2.gz GOWCQEGGIFFTDX-HNNXBMFYSA-N 1 2 364.446 2.236 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000174166559 327309913 /nfs/dbraw/zinc/30/99/13/327309913.db2.gz GZCWJJSEWPMLRQ-UHFFFAOYSA-N 1 2 363.443 2.476 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000174166559 327309915 /nfs/dbraw/zinc/30/99/15/327309915.db2.gz GZCWJJSEWPMLRQ-UHFFFAOYSA-N 1 2 363.443 2.476 20 5 FEBDLO C[C@H]1SCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C ZINC000265463875 329129844 /nfs/dbraw/zinc/12/98/44/329129844.db2.gz HHHSEARJXRCTOC-VHSXEESVSA-N 1 2 353.400 2.088 20 5 FEBDLO C[C@H]1SCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C ZINC000265463875 329129846 /nfs/dbraw/zinc/12/98/46/329129846.db2.gz HHHSEARJXRCTOC-VHSXEESVSA-N 1 2 353.400 2.088 20 5 FEBDLO COc1ccc(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)cc1[N+](=O)[O-] ZINC000265507245 329134345 /nfs/dbraw/zinc/13/43/45/329134345.db2.gz YXSDYEOHOAVWGO-UHFFFAOYSA-N 1 2 370.409 2.025 20 5 FEBDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000267324199 329314949 /nfs/dbraw/zinc/31/49/49/329314949.db2.gz APCNINPAQVDNCQ-CYBMUJFWSA-N 1 2 361.402 2.398 20 5 FEBDLO CO[C@H](C)c1noc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000267324199 329314951 /nfs/dbraw/zinc/31/49/51/329314951.db2.gz APCNINPAQVDNCQ-CYBMUJFWSA-N 1 2 361.402 2.398 20 5 FEBDLO CC(C)OCC[NH+]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000267637324 329345621 /nfs/dbraw/zinc/34/56/21/329345621.db2.gz POMKMSFLWUIEGR-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000270006386 329567642 /nfs/dbraw/zinc/56/76/42/329567642.db2.gz JLKGVVYSMFUXRA-HNNXBMFYSA-N 1 2 365.393 2.340 20 5 FEBDLO CC(C)[C@@H](O)C1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000271859643 329731618 /nfs/dbraw/zinc/73/16/18/329731618.db2.gz KAQDKDFKZGOEET-MRXNPFEDSA-N 1 2 358.398 2.307 20 5 FEBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](Cc2cccnc2)CC1 ZINC000273512450 329870577 /nfs/dbraw/zinc/87/05/77/329870577.db2.gz XEPDADITOONKMZ-UHFFFAOYSA-N 1 2 359.361 2.479 20 5 FEBDLO COc1ccc(NC(=O)C[NH2+][C@H](C)c2nnc(C)s2)c([N+](=O)[O-])c1 ZINC000273651084 329881730 /nfs/dbraw/zinc/88/17/30/329881730.db2.gz WFCHATYXVKPYJI-MRVPVSSYSA-N 1 2 351.388 2.053 20 5 FEBDLO CC(C)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nncn1C ZINC000286429475 330184571 /nfs/dbraw/zinc/18/45/71/330184571.db2.gz MSXMPBWAQIMSQN-HNNXBMFYSA-N 1 2 369.385 2.036 20 5 FEBDLO CSc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000367242471 330235298 /nfs/dbraw/zinc/23/52/98/330235298.db2.gz ANGHOLKNXQJIDF-CQSZACIVSA-N 1 2 358.423 2.498 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(O)(C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000426246813 330271798 /nfs/dbraw/zinc/27/17/98/330271798.db2.gz WMNUQUBOBYAMRO-NSHDSACASA-N 1 2 357.357 2.322 20 5 FEBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3c[nH]nc3[N+](=O)[O-])n2)C1 ZINC000555723868 674373694 /nfs/dbraw/zinc/37/36/94/674373694.db2.gz YPHYORHNKCMDTL-SECBINFHSA-N 1 2 350.404 2.259 20 5 FEBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3c[nH]nc3[N+](=O)[O-])n2)C1 ZINC000555723868 674373697 /nfs/dbraw/zinc/37/36/97/674373697.db2.gz YPHYORHNKCMDTL-SECBINFHSA-N 1 2 350.404 2.259 20 5 FEBDLO CCOCCO[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000157623464 545761588 /nfs/dbraw/zinc/76/15/88/545761588.db2.gz HUTRIINDYHHMIC-HNNXBMFYSA-N 1 2 362.386 2.272 20 5 FEBDLO CCOCCO[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000157623464 545761591 /nfs/dbraw/zinc/76/15/91/545761591.db2.gz HUTRIINDYHHMIC-HNNXBMFYSA-N 1 2 362.386 2.272 20 5 FEBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161252712 546114488 /nfs/dbraw/zinc/11/44/88/546114488.db2.gz CRTGZOIYLXEMAZ-CYBMUJFWSA-N 1 2 358.423 2.477 20 5 FEBDLO Cc1nn(Cc2ccc(C(=O)NCc3c[nH+]c[nH]3)cc2)c(C)c1[N+](=O)[O-] ZINC000479602411 561193108 /nfs/dbraw/zinc/19/31/08/561193108.db2.gz JIYMMISHMDKCQO-UHFFFAOYSA-N 1 2 354.370 2.110 20 5 FEBDLO Cc1nn(Cc2ccc(C(=O)NCc3c[nH]c[nH+]3)cc2)c(C)c1[N+](=O)[O-] ZINC000479602411 561193109 /nfs/dbraw/zinc/19/31/09/561193109.db2.gz JIYMMISHMDKCQO-UHFFFAOYSA-N 1 2 354.370 2.110 20 5 FEBDLO CC[C@@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000176709740 546479206 /nfs/dbraw/zinc/47/92/06/546479206.db2.gz VBNILZFRLIUYMF-DLBZAZTESA-N 1 2 362.430 2.162 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000177082737 546541406 /nfs/dbraw/zinc/54/14/06/546541406.db2.gz UNHSCQJJVWSEMR-MLGOLLRUSA-N 1 2 364.427 2.372 20 5 FEBDLO Nc1c(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000178162731 546748933 /nfs/dbraw/zinc/74/89/33/546748933.db2.gz DQMTUDGJIFBNRY-UHFFFAOYSA-N 1 2 351.366 2.352 20 5 FEBDLO COC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000179131420 546903408 /nfs/dbraw/zinc/90/34/08/546903408.db2.gz NLMDEFPPXCINNV-JTQLQIEISA-N 1 2 355.778 2.214 20 5 FEBDLO COC(=O)C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000179131420 546903410 /nfs/dbraw/zinc/90/34/10/546903410.db2.gz NLMDEFPPXCINNV-JTQLQIEISA-N 1 2 355.778 2.214 20 5 FEBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183645486 547694178 /nfs/dbraw/zinc/69/41/78/547694178.db2.gz IZWCVCKQBFDHHR-ZDUSSCGKSA-N 1 2 356.386 2.296 20 5 FEBDLO COc1cc(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000184197978 547785793 /nfs/dbraw/zinc/78/57/93/547785793.db2.gz NPMHOQCPUGXOJO-UHFFFAOYSA-N 1 2 353.394 2.433 20 5 FEBDLO COc1cc(C[N@H+]2CCCN(C(=O)C(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000184197978 547785798 /nfs/dbraw/zinc/78/57/98/547785798.db2.gz NPMHOQCPUGXOJO-UHFFFAOYSA-N 1 2 353.394 2.433 20 5 FEBDLO C[C@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H](C)O1 ZINC000184698939 547867002 /nfs/dbraw/zinc/86/70/02/547867002.db2.gz IZQPSLKSRQWOMN-YDHLFZDLSA-N 1 2 363.414 2.014 20 5 FEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000184721550 547870898 /nfs/dbraw/zinc/87/08/98/547870898.db2.gz DAERAXPUOPQWIX-INIZCTEOSA-N 1 2 363.458 2.391 20 5 FEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000184721550 547870900 /nfs/dbraw/zinc/87/09/00/547870900.db2.gz DAERAXPUOPQWIX-INIZCTEOSA-N 1 2 363.458 2.391 20 5 FEBDLO C[C@H](C(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000185182684 547947936 /nfs/dbraw/zinc/94/79/36/547947936.db2.gz BPJJAEUCBVSWRC-LBPRGKRZSA-N 1 2 353.394 2.064 20 5 FEBDLO C[C@H](C(=O)NCC[N@H+]1CCOCC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000185182684 547947939 /nfs/dbraw/zinc/94/79/39/547947939.db2.gz BPJJAEUCBVSWRC-LBPRGKRZSA-N 1 2 353.394 2.064 20 5 FEBDLO Cc1nc(N2CCN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)cc[nH+]1 ZINC000185395187 547979553 /nfs/dbraw/zinc/97/95/53/547979553.db2.gz JRILANDNVGTNPF-GFCCVEGCSA-N 1 2 373.388 2.285 20 5 FEBDLO Cc1ccc(NC(=O)C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000194363136 548470737 /nfs/dbraw/zinc/47/07/37/548470737.db2.gz NEOATZOSSQUPLO-INIZCTEOSA-N 1 2 373.409 2.213 20 5 FEBDLO Cc1ccc(NC(=O)C[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000194363136 548470740 /nfs/dbraw/zinc/47/07/40/548470740.db2.gz NEOATZOSSQUPLO-INIZCTEOSA-N 1 2 373.409 2.213 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247002655 549261912 /nfs/dbraw/zinc/26/19/12/549261912.db2.gz DBFOJGQLCMZMMJ-DOMZBBRYSA-N 1 2 364.427 2.372 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000247024317 549268240 /nfs/dbraw/zinc/26/82/40/549268240.db2.gz NBEVTUIZCGNJPZ-CZUORRHYSA-N 1 2 370.409 2.336 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000247024317 549268243 /nfs/dbraw/zinc/26/82/43/549268243.db2.gz NBEVTUIZCGNJPZ-CZUORRHYSA-N 1 2 370.409 2.336 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCOc3ccc(F)cc3C2)c1 ZINC000489213400 561405765 /nfs/dbraw/zinc/40/57/65/561405765.db2.gz CXMQUVXJOSLTRK-INIZCTEOSA-N 1 2 362.357 2.368 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCOc3ccc(F)cc3C2)c1 ZINC000489213400 561405766 /nfs/dbraw/zinc/40/57/66/561405766.db2.gz CXMQUVXJOSLTRK-INIZCTEOSA-N 1 2 362.357 2.368 20 5 FEBDLO COc1cc(C[N@@H+]2CCC[C@H]2C(=O)N2CCSCC2)ccc1[N+](=O)[O-] ZINC000489230564 561406171 /nfs/dbraw/zinc/40/61/71/561406171.db2.gz HFYYWJQUAAJOTA-HNNXBMFYSA-N 1 2 365.455 2.143 20 5 FEBDLO COc1cc(C[N@H+]2CCC[C@H]2C(=O)N2CCSCC2)ccc1[N+](=O)[O-] ZINC000489230564 561406172 /nfs/dbraw/zinc/40/61/72/561406172.db2.gz HFYYWJQUAAJOTA-HNNXBMFYSA-N 1 2 365.455 2.143 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000248474049 549448137 /nfs/dbraw/zinc/44/81/37/549448137.db2.gz XARMNYXRFJSCCW-WMLDXEAASA-N 1 2 364.423 2.470 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000248474049 549448139 /nfs/dbraw/zinc/44/81/39/549448139.db2.gz XARMNYXRFJSCCW-WMLDXEAASA-N 1 2 364.423 2.470 20 5 FEBDLO COCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1scnc1C ZINC000489471089 561412113 /nfs/dbraw/zinc/41/21/13/561412113.db2.gz DHMLGNKISBJUCL-UHFFFAOYSA-N 1 2 364.427 2.447 20 5 FEBDLO COCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1scnc1C ZINC000489471089 561412114 /nfs/dbraw/zinc/41/21/14/561412114.db2.gz DHMLGNKISBJUCL-UHFFFAOYSA-N 1 2 364.427 2.447 20 5 FEBDLO Cc1noc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000249697213 549616323 /nfs/dbraw/zinc/61/63/23/549616323.db2.gz AMWFDMBGRNMCSU-DGCLKSJQSA-N 1 2 359.386 2.493 20 5 FEBDLO Cc1noc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000249697213 549616327 /nfs/dbraw/zinc/61/63/27/549616327.db2.gz AMWFDMBGRNMCSU-DGCLKSJQSA-N 1 2 359.386 2.493 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000251921721 549657479 /nfs/dbraw/zinc/65/74/79/549657479.db2.gz SMEVAYHWYIDDQM-BFQNTYOBSA-N 1 2 351.403 2.287 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000251921721 549657484 /nfs/dbraw/zinc/65/74/84/549657484.db2.gz SMEVAYHWYIDDQM-BFQNTYOBSA-N 1 2 351.403 2.287 20 5 FEBDLO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000255333057 549705211 /nfs/dbraw/zinc/70/52/11/549705211.db2.gz ORLCFZSPCCFZFW-DAXSKMNVSA-N 1 2 368.437 2.088 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC(=O)OC(C)(C)C ZINC000263726154 549926904 /nfs/dbraw/zinc/92/69/04/549926904.db2.gz PCCRVZOGCJCRBN-UHFFFAOYSA-N 1 2 367.402 2.206 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000263726154 549926908 /nfs/dbraw/zinc/92/69/08/549926908.db2.gz PCCRVZOGCJCRBN-UHFFFAOYSA-N 1 2 367.402 2.206 20 5 FEBDLO Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)n1 ZINC000271120659 550342487 /nfs/dbraw/zinc/34/24/87/550342487.db2.gz NVQZMRILBUXKME-UHFFFAOYSA-N 1 2 350.404 2.023 20 5 FEBDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000271136315 550344089 /nfs/dbraw/zinc/34/40/89/550344089.db2.gz OBFRYHSMVZBVBX-GFCCVEGCSA-N 1 2 354.370 2.281 20 5 FEBDLO COc1cc(C[N@@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])cc1OC ZINC000271406910 550372722 /nfs/dbraw/zinc/37/27/22/550372722.db2.gz WUCVAIBFHVEIEB-GFCCVEGCSA-N 1 2 361.402 2.418 20 5 FEBDLO COc1cc(C[N@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])cc1OC ZINC000271406910 550372725 /nfs/dbraw/zinc/37/27/25/550372725.db2.gz WUCVAIBFHVEIEB-GFCCVEGCSA-N 1 2 361.402 2.418 20 5 FEBDLO COc1cc(C[N@@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)c([N+](=O)[O-])cc1OC ZINC000271406910 550372728 /nfs/dbraw/zinc/37/27/28/550372728.db2.gz WUCVAIBFHVEIEB-GFCCVEGCSA-N 1 2 361.402 2.418 20 5 FEBDLO COc1cc(C[N@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)c([N+](=O)[O-])cc1OC ZINC000271406910 550372730 /nfs/dbraw/zinc/37/27/30/550372730.db2.gz WUCVAIBFHVEIEB-GFCCVEGCSA-N 1 2 361.402 2.418 20 5 FEBDLO COc1cc(C[N@@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])cc1OC ZINC000271406910 550372733 /nfs/dbraw/zinc/37/27/33/550372733.db2.gz WUCVAIBFHVEIEB-GFCCVEGCSA-N 1 2 361.402 2.418 20 5 FEBDLO COc1cc(C[N@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])cc1OC ZINC000271406910 550372735 /nfs/dbraw/zinc/37/27/35/550372735.db2.gz WUCVAIBFHVEIEB-GFCCVEGCSA-N 1 2 361.402 2.418 20 5 FEBDLO CC(C)N1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000272539767 550456854 /nfs/dbraw/zinc/45/68/54/550456854.db2.gz JMALZQUXOMPUFF-UHFFFAOYSA-N 1 2 358.398 2.345 20 5 FEBDLO CC(C)N1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000272539767 550456855 /nfs/dbraw/zinc/45/68/55/550456855.db2.gz JMALZQUXOMPUFF-UHFFFAOYSA-N 1 2 358.398 2.345 20 5 FEBDLO COc1ccc(OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000276897293 550608637 /nfs/dbraw/zinc/60/86/37/550608637.db2.gz NWKADSKGYKPCPK-SFHVURJKSA-N 1 2 372.377 2.410 20 5 FEBDLO COc1ccc(OC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000276897293 550608638 /nfs/dbraw/zinc/60/86/38/550608638.db2.gz NWKADSKGYKPCPK-SFHVURJKSA-N 1 2 372.377 2.410 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CCCC[N@@H+]2C2CC2)s1 ZINC000277552022 550683661 /nfs/dbraw/zinc/68/36/61/550683661.db2.gz XRZNLPYYMADXQB-NSHDSACASA-N 1 2 359.473 2.489 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CCCC[N@H+]2C2CC2)s1 ZINC000277552022 550683662 /nfs/dbraw/zinc/68/36/62/550683662.db2.gz XRZNLPYYMADXQB-NSHDSACASA-N 1 2 359.473 2.489 20 5 FEBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000279391716 550884980 /nfs/dbraw/zinc/88/49/80/550884980.db2.gz IUTKFLQRHWVBIN-LBPRGKRZSA-N 1 2 373.388 2.230 20 5 FEBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C[C@@H](C)O2 ZINC000279670693 550914948 /nfs/dbraw/zinc/91/49/48/550914948.db2.gz DKMZMHVPGLUVAP-SNUQEOBHSA-N 1 2 364.398 2.230 20 5 FEBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C[C@@H](C)O2 ZINC000279670693 550914950 /nfs/dbraw/zinc/91/49/50/550914950.db2.gz DKMZMHVPGLUVAP-SNUQEOBHSA-N 1 2 364.398 2.230 20 5 FEBDLO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280506539 551001409 /nfs/dbraw/zinc/00/14/09/551001409.db2.gz CMZAMUDYOMIQOK-MSOLQXFVSA-N 1 2 354.410 2.388 20 5 FEBDLO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280506539 551001411 /nfs/dbraw/zinc/00/14/11/551001411.db2.gz CMZAMUDYOMIQOK-MSOLQXFVSA-N 1 2 354.410 2.388 20 5 FEBDLO COc1cc(C[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)c([N+](=O)[O-])cc1OC ZINC000280613310 551013532 /nfs/dbraw/zinc/01/35/32/551013532.db2.gz ZFTWDMOKERAWAJ-ZDUSSCGKSA-N 1 2 366.414 2.382 20 5 FEBDLO COc1cc(C[N@H+]2C[C@H](C)OC3(CCOCC3)C2)c([N+](=O)[O-])cc1OC ZINC000280613310 551013534 /nfs/dbraw/zinc/01/35/34/551013534.db2.gz ZFTWDMOKERAWAJ-ZDUSSCGKSA-N 1 2 366.414 2.382 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc([NH+]3CCC(O)CC3)cc2)n1 ZINC000281033688 551056686 /nfs/dbraw/zinc/05/66/86/551056686.db2.gz UQSXWWGNWRBANR-UHFFFAOYSA-N 1 2 372.381 2.481 20 5 FEBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]21 ZINC000284708242 551613654 /nfs/dbraw/zinc/61/36/54/551613654.db2.gz ZLTZIXOFXLLAHH-ZIAGYGMSSA-N 1 2 373.331 2.159 20 5 FEBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]21 ZINC000284708242 551613655 /nfs/dbraw/zinc/61/36/55/551613655.db2.gz ZLTZIXOFXLLAHH-ZIAGYGMSSA-N 1 2 373.331 2.159 20 5 FEBDLO CNS(=O)(=O)c1cccc2c1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000284846279 551649309 /nfs/dbraw/zinc/64/93/09/551649309.db2.gz RHAKYNKYBBJKOD-UHFFFAOYSA-N 1 2 361.423 2.061 20 5 FEBDLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000284846279 551649310 /nfs/dbraw/zinc/64/93/10/551649310.db2.gz RHAKYNKYBBJKOD-UHFFFAOYSA-N 1 2 361.423 2.061 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000285882552 551823023 /nfs/dbraw/zinc/82/30/23/551823023.db2.gz QVDWQMNFOAMTLY-DOMZBBRYSA-N 1 2 359.382 2.276 20 5 FEBDLO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H](C)[S@@]1=O ZINC000286074611 551845856 /nfs/dbraw/zinc/84/58/56/551845856.db2.gz SBECFCUPTACZKW-QLYRYJBHSA-N 1 2 371.434 2.294 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H](C)[S@@]1=O ZINC000286074611 551845857 /nfs/dbraw/zinc/84/58/57/551845857.db2.gz SBECFCUPTACZKW-QLYRYJBHSA-N 1 2 371.434 2.294 20 5 FEBDLO O=C(CC[N@@H+]1CCOC[C@@H]1CC(F)F)Nc1cc([N+](=O)[O-])ccc1F ZINC000286362568 551878958 /nfs/dbraw/zinc/87/89/58/551878958.db2.gz HPEKFTBVXPQCCD-NSHDSACASA-N 1 2 361.320 2.419 20 5 FEBDLO O=C(CC[N@H+]1CCOC[C@@H]1CC(F)F)Nc1cc([N+](=O)[O-])ccc1F ZINC000286362568 551878960 /nfs/dbraw/zinc/87/89/60/551878960.db2.gz HPEKFTBVXPQCCD-NSHDSACASA-N 1 2 361.320 2.419 20 5 FEBDLO CCCN(CC[NH+]1CCCC1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000286379733 551880955 /nfs/dbraw/zinc/88/09/55/551880955.db2.gz OGWXQIXFRZBHTA-UHFFFAOYSA-N 1 2 361.489 2.372 20 5 FEBDLO C[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000286691372 551915260 /nfs/dbraw/zinc/91/52/60/551915260.db2.gz IMUJIQPLFKPBMW-KKUMJFAQSA-N 1 2 362.430 2.160 20 5 FEBDLO O=C(C[N@@H+]1CCCc2occc2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000288723389 552200856 /nfs/dbraw/zinc/20/08/56/552200856.db2.gz FZEOKIYYDBAPKS-UHFFFAOYSA-N 1 2 359.338 2.303 20 5 FEBDLO O=C(C[N@H+]1CCCc2occc2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000288723389 552200857 /nfs/dbraw/zinc/20/08/57/552200857.db2.gz FZEOKIYYDBAPKS-UHFFFAOYSA-N 1 2 359.338 2.303 20 5 FEBDLO CN(C(=O)C[N@@H+]1CCC2(C1)Oc1ccccc1O2)c1ccc([N+](=O)[O-])cc1 ZINC000288758924 552206988 /nfs/dbraw/zinc/20/69/88/552206988.db2.gz HDBVVGMEACIHRZ-UHFFFAOYSA-N 1 2 369.377 2.431 20 5 FEBDLO CN(C(=O)C[N@H+]1CCC2(C1)Oc1ccccc1O2)c1ccc([N+](=O)[O-])cc1 ZINC000288758924 552206991 /nfs/dbraw/zinc/20/69/91/552206991.db2.gz HDBVVGMEACIHRZ-UHFFFAOYSA-N 1 2 369.377 2.431 20 5 FEBDLO O=[N+]([O-])c1cc(I)cc(C[NH+]2CCC(O)CC2)c1 ZINC000289778961 552376879 /nfs/dbraw/zinc/37/68/79/552376879.db2.gz KWOIZDSNGFTPFH-UHFFFAOYSA-N 1 2 362.167 2.156 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291869196 552670234 /nfs/dbraw/zinc/67/02/34/552670234.db2.gz PRMZWRMHKQIPKM-GXTWGEPZSA-N 1 2 359.386 2.074 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291869196 552670235 /nfs/dbraw/zinc/67/02/35/552670235.db2.gz PRMZWRMHKQIPKM-GXTWGEPZSA-N 1 2 359.386 2.074 20 5 FEBDLO CC(C)n1cc[nH+]c1CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293022485 552781316 /nfs/dbraw/zinc/78/13/16/552781316.db2.gz FNVLQZNFSDSMOQ-UHFFFAOYSA-N 1 2 357.414 2.330 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000295368952 552995114 /nfs/dbraw/zinc/99/51/14/552995114.db2.gz SLMFSYOEIQYBIC-CYBMUJFWSA-N 1 2 350.400 2.100 20 5 FEBDLO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000295721698 553050007 /nfs/dbraw/zinc/05/00/07/553050007.db2.gz VHNKAXQZSIZNFQ-YMXBGEKHSA-N 1 2 368.455 2.432 20 5 FEBDLO Cc1cc(Cl)c(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000296093812 553103533 /nfs/dbraw/zinc/10/35/33/553103533.db2.gz DCWGOHAGYJRMPK-GFCCVEGCSA-N 1 2 355.822 2.349 20 5 FEBDLO CO[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000296286065 553135007 /nfs/dbraw/zinc/13/50/07/553135007.db2.gz ZFGGGMQYVCKDGY-OAHLLOKOSA-N 1 2 356.444 2.115 20 5 FEBDLO CO[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000296286065 553135009 /nfs/dbraw/zinc/13/50/09/553135009.db2.gz ZFGGGMQYVCKDGY-OAHLLOKOSA-N 1 2 356.444 2.115 20 5 FEBDLO C[C@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296336076 553143684 /nfs/dbraw/zinc/14/36/84/553143684.db2.gz HBLRWSZHIYWLCT-ZDUSSCGKSA-N 1 2 350.419 2.066 20 5 FEBDLO C[C@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296336076 553143687 /nfs/dbraw/zinc/14/36/87/553143687.db2.gz HBLRWSZHIYWLCT-ZDUSSCGKSA-N 1 2 350.419 2.066 20 5 FEBDLO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000296713888 553201848 /nfs/dbraw/zinc/20/18/48/553201848.db2.gz NGIGTHMFYUIOPI-SHZVTRLKSA-N 1 2 368.455 2.432 20 5 FEBDLO O=C1Nc2ccccc2CC[C@@H]1[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298080488 553381342 /nfs/dbraw/zinc/38/13/42/553381342.db2.gz LUOQNVLNFBVYQA-KRWDZBQOSA-N 1 2 367.409 2.065 20 5 FEBDLO O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298164232 553392788 /nfs/dbraw/zinc/39/27/88/553392788.db2.gz SUMQFXJGQOGLQP-UHFFFAOYSA-N 1 2 373.369 2.099 20 5 FEBDLO C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])c4nonc43)c[nH+]2)CCO1 ZINC000298688625 553458989 /nfs/dbraw/zinc/45/89/89/553458989.db2.gz CGJRLDNYYCAVSF-LLVKDONJSA-N 1 2 370.369 2.363 20 5 FEBDLO COCC[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000298802152 553475090 /nfs/dbraw/zinc/47/50/90/553475090.db2.gz YVRBELKYEXRRMY-UHFFFAOYSA-N 1 2 350.400 2.235 20 5 FEBDLO COCC[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000298802152 553475092 /nfs/dbraw/zinc/47/50/92/553475092.db2.gz YVRBELKYEXRRMY-UHFFFAOYSA-N 1 2 350.400 2.235 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000299706231 553604351 /nfs/dbraw/zinc/60/43/51/553604351.db2.gz QYRIJAWTNGRJIS-CQSZACIVSA-N 1 2 370.409 2.453 20 5 FEBDLO C[C@@H](Nc1ncc(Br)cc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000301668397 553670205 /nfs/dbraw/zinc/67/02/05/553670205.db2.gz DFAMPVPHOMASED-NXEZZACHSA-N 1 2 359.224 2.273 20 5 FEBDLO CS(=O)(=O)c1cccc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000301889163 553689030 /nfs/dbraw/zinc/68/90/30/553689030.db2.gz NIGZMTVLAAGGLO-ZDUSSCGKSA-N 1 2 363.395 2.051 20 5 FEBDLO O=C(CCNc1sccc1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000301983541 553696223 /nfs/dbraw/zinc/69/62/23/553696223.db2.gz IONAPODDVSBCSG-UHFFFAOYSA-N 1 2 361.427 2.202 20 5 FEBDLO NS(=O)(=O)c1ccc(NCc2ccccc2-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000301991881 553696752 /nfs/dbraw/zinc/69/67/52/553696752.db2.gz NODLKQGLSKYZQH-UHFFFAOYSA-N 1 2 373.394 2.040 20 5 FEBDLO CCOC(=O)c1cc(N2CCN(c3cc[nH+]c(C)n3)CC2)ccc1[N+](=O)[O-] ZINC000302170949 553708744 /nfs/dbraw/zinc/70/87/44/553708744.db2.gz UNQQXCUBJVYSHV-UHFFFAOYSA-N 1 2 371.397 2.197 20 5 FEBDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)no1 ZINC000507163010 561719779 /nfs/dbraw/zinc/71/97/79/561719779.db2.gz QZFLGJFEKGVVFA-UHFFFAOYSA-N 1 2 373.369 2.451 20 5 FEBDLO CN(C)C(=O)N1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000330701764 554159625 /nfs/dbraw/zinc/15/96/25/554159625.db2.gz ODLCZSWFAVRCCG-UHFFFAOYSA-N 1 2 350.419 2.051 20 5 FEBDLO CN(C)C(=O)N1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000330701764 554159629 /nfs/dbraw/zinc/15/96/29/554159629.db2.gz ODLCZSWFAVRCCG-UHFFFAOYSA-N 1 2 350.419 2.051 20 5 FEBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000330945322 554192421 /nfs/dbraw/zinc/19/24/21/554192421.db2.gz GDULXAVQJPYFDL-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000330945322 554192423 /nfs/dbraw/zinc/19/24/23/554192423.db2.gz GDULXAVQJPYFDL-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO Cc1c(NC(=O)CC[N@@H+]2CC[S@](=O)CC2(C)C)cccc1[N+](=O)[O-] ZINC000330998273 554199105 /nfs/dbraw/zinc/19/91/05/554199105.db2.gz JDGQXSJOJUEKKA-DEOSSOPVSA-N 1 2 353.444 2.075 20 5 FEBDLO Cc1c(NC(=O)CC[N@H+]2CC[S@](=O)CC2(C)C)cccc1[N+](=O)[O-] ZINC000330998273 554199107 /nfs/dbraw/zinc/19/91/07/554199107.db2.gz JDGQXSJOJUEKKA-DEOSSOPVSA-N 1 2 353.444 2.075 20 5 FEBDLO CC(C)c1n[nH]c(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000331436134 554264318 /nfs/dbraw/zinc/26/43/18/554264318.db2.gz WQAHCXPRXGTPBN-GFCCVEGCSA-N 1 2 360.418 2.270 20 5 FEBDLO CC(C)c1[nH]nc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000331436134 554264320 /nfs/dbraw/zinc/26/43/20/554264320.db2.gz WQAHCXPRXGTPBN-GFCCVEGCSA-N 1 2 360.418 2.270 20 5 FEBDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000331589814 554290120 /nfs/dbraw/zinc/29/01/20/554290120.db2.gz PQVTUOAXJLDWAJ-MZMPZRCHSA-N 1 2 363.414 2.192 20 5 FEBDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000331589814 554290122 /nfs/dbraw/zinc/29/01/22/554290122.db2.gz PQVTUOAXJLDWAJ-MZMPZRCHSA-N 1 2 363.414 2.192 20 5 FEBDLO Cc1cc(N[C@@H]2CC(=O)N3CCCC[C@@H]23)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000509480854 561801454 /nfs/dbraw/zinc/80/14/54/561801454.db2.gz TXRWMXWSIHZOIT-CVEARBPZSA-N 1 2 367.409 2.347 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cc1C ZINC000510445796 561834703 /nfs/dbraw/zinc/83/47/03/561834703.db2.gz GNQCDTQDFJAPIB-HNNXBMFYSA-N 1 2 364.427 2.375 20 5 FEBDLO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1SC ZINC000361277618 554913655 /nfs/dbraw/zinc/91/36/55/554913655.db2.gz CQJAOVAVOWREJA-VIFPVBQESA-N 1 2 362.411 2.336 20 5 FEBDLO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1SC ZINC000361277618 554913657 /nfs/dbraw/zinc/91/36/57/554913657.db2.gz CQJAOVAVOWREJA-VIFPVBQESA-N 1 2 362.411 2.336 20 5 FEBDLO CCOc1cc(C[NH+]2CCN([C@H](CC)C(=O)OC)CC2)ccc1[N+](=O)[O-] ZINC000511592863 561873915 /nfs/dbraw/zinc/87/39/15/561873915.db2.gz KDHMJZKSMFTLIC-OAHLLOKOSA-N 1 2 365.430 2.063 20 5 FEBDLO O=C(CCNc1ccccc1[N+](=O)[O-])NCCc1cn2c([nH+]1)CCCC2 ZINC000363100845 555030382 /nfs/dbraw/zinc/03/03/82/555030382.db2.gz QXMZMLJPCMVOQG-UHFFFAOYSA-N 1 2 357.414 2.289 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000363433132 555104638 /nfs/dbraw/zinc/10/46/38/555104638.db2.gz VQUHJZVCNPOQRO-ZDUSSCGKSA-N 1 2 366.381 2.144 20 5 FEBDLO COc1cc(C[N@@H+]2CC[C@H](NC(=O)C3CCC3)C2)c([N+](=O)[O-])cc1F ZINC000364058115 555242147 /nfs/dbraw/zinc/24/21/47/555242147.db2.gz SEPOOOPZWRGVGB-ZDUSSCGKSA-N 1 2 351.378 2.233 20 5 FEBDLO COc1cc(C[N@H+]2CC[C@H](NC(=O)C3CCC3)C2)c([N+](=O)[O-])cc1F ZINC000364058115 555242148 /nfs/dbraw/zinc/24/21/48/555242148.db2.gz SEPOOOPZWRGVGB-ZDUSSCGKSA-N 1 2 351.378 2.233 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)Nc1cc(F)ccc1F ZINC000364323498 555291231 /nfs/dbraw/zinc/29/12/31/555291231.db2.gz IXQMFJXKXHCOIY-LBPRGKRZSA-N 1 2 365.340 2.345 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)Nc1cc(F)ccc1F ZINC000364323498 555291233 /nfs/dbraw/zinc/29/12/33/555291233.db2.gz IXQMFJXKXHCOIY-LBPRGKRZSA-N 1 2 365.340 2.345 20 5 FEBDLO O=C1[C@H]([N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CCN1c1ccccc1F ZINC000364335767 555294083 /nfs/dbraw/zinc/29/40/83/555294083.db2.gz JESTZZSCMYNCNW-SUMWQHHRSA-N 1 2 373.388 2.373 20 5 FEBDLO O=C1[C@H]([N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CCN1c1ccccc1F ZINC000364335767 555294086 /nfs/dbraw/zinc/29/40/86/555294086.db2.gz JESTZZSCMYNCNW-SUMWQHHRSA-N 1 2 373.388 2.373 20 5 FEBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000364695621 555377048 /nfs/dbraw/zinc/37/70/48/555377048.db2.gz KOPLWMSNWQHDGJ-HNNXBMFYSA-N 1 2 373.413 2.413 20 5 FEBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000364695621 555377052 /nfs/dbraw/zinc/37/70/52/555377052.db2.gz KOPLWMSNWQHDGJ-HNNXBMFYSA-N 1 2 373.413 2.413 20 5 FEBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000512712650 561913304 /nfs/dbraw/zinc/91/33/04/561913304.db2.gz SYWNXLVCOQZAMN-GFCCVEGCSA-N 1 2 351.366 2.480 20 5 FEBDLO Cc1n[nH]c(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000365111154 555487889 /nfs/dbraw/zinc/48/78/89/555487889.db2.gz VARQCQDWULPNOU-NSHDSACASA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1nc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000365111154 555487890 /nfs/dbraw/zinc/48/78/90/555487890.db2.gz VARQCQDWULPNOU-NSHDSACASA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1nnc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000365111154 555487891 /nfs/dbraw/zinc/48/78/91/555487891.db2.gz VARQCQDWULPNOU-NSHDSACASA-N 1 2 358.402 2.228 20 5 FEBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000365407800 555567050 /nfs/dbraw/zinc/56/70/50/555567050.db2.gz GUQYMJQJHFGYMH-UHFFFAOYSA-N 1 2 359.342 2.308 20 5 FEBDLO C[C@H]1CCC[C@H](NC(=O)CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000513411874 561937471 /nfs/dbraw/zinc/93/74/71/561937471.db2.gz RACGYPDHNLLWEC-WMZOPIPTSA-N 1 2 374.485 2.407 20 5 FEBDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000513411874 561937472 /nfs/dbraw/zinc/93/74/72/561937472.db2.gz RACGYPDHNLLWEC-WMZOPIPTSA-N 1 2 374.485 2.407 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000513662427 561946245 /nfs/dbraw/zinc/94/62/45/561946245.db2.gz VNBDMCIEJWEOBZ-MRXNPFEDSA-N 1 2 359.430 2.312 20 5 FEBDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000513714004 561947670 /nfs/dbraw/zinc/94/76/70/561947670.db2.gz WOPSFTOXGYRQKD-KRWDZBQOSA-N 1 2 365.393 2.306 20 5 FEBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOc3c(Br)cccc3C2)n1 ZINC000366391928 555831004 /nfs/dbraw/zinc/83/10/04/555831004.db2.gz LYGZIXBOKBAIAN-UHFFFAOYSA-N 1 2 367.203 2.448 20 5 FEBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCOc3c(Br)cccc3C2)n1 ZINC000366391928 555831008 /nfs/dbraw/zinc/83/10/08/555831008.db2.gz LYGZIXBOKBAIAN-UHFFFAOYSA-N 1 2 367.203 2.448 20 5 FEBDLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000366477508 555855289 /nfs/dbraw/zinc/85/52/89/555855289.db2.gz NUSRYVQOUOPZEL-FZKQIMNGSA-N 1 2 366.414 2.382 20 5 FEBDLO COc1cc(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000366477508 555855290 /nfs/dbraw/zinc/85/52/90/555855290.db2.gz NUSRYVQOUOPZEL-FZKQIMNGSA-N 1 2 366.414 2.382 20 5 FEBDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000368028243 556198753 /nfs/dbraw/zinc/19/87/53/556198753.db2.gz ZPIWDSCTXXTWDT-GOSISDBHSA-N 1 2 374.441 2.132 20 5 FEBDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000368028243 556198756 /nfs/dbraw/zinc/19/87/56/556198756.db2.gz ZPIWDSCTXXTWDT-GOSISDBHSA-N 1 2 374.441 2.132 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1CN1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000368213053 556250395 /nfs/dbraw/zinc/25/03/95/556250395.db2.gz RXJHTWCXQQBYRH-UHFFFAOYSA-N 1 2 362.474 2.326 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1CN1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000368213053 556250399 /nfs/dbraw/zinc/25/03/99/556250399.db2.gz RXJHTWCXQQBYRH-UHFFFAOYSA-N 1 2 362.474 2.326 20 5 FEBDLO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000368878306 556436880 /nfs/dbraw/zinc/43/68/80/556436880.db2.gz SXQVVPQYMHFXGH-LYRGGWFBSA-N 1 2 361.398 2.080 20 5 FEBDLO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000368878306 556436882 /nfs/dbraw/zinc/43/68/82/556436882.db2.gz SXQVVPQYMHFXGH-LYRGGWFBSA-N 1 2 361.398 2.080 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369002562 556473526 /nfs/dbraw/zinc/47/35/26/556473526.db2.gz QSQXPVSOXXQPOF-ZFWWWQNUSA-N 1 2 373.413 2.464 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369002562 556473527 /nfs/dbraw/zinc/47/35/27/556473527.db2.gz QSQXPVSOXXQPOF-ZFWWWQNUSA-N 1 2 373.413 2.464 20 5 FEBDLO Cc1cc(OCC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)ccc1[N+](=O)[O-] ZINC000369799931 556698776 /nfs/dbraw/zinc/69/87/76/556698776.db2.gz QAZHLSYMCPHTCI-UHFFFAOYSA-N 1 2 367.365 2.179 20 5 FEBDLO Cc1sc(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000370545772 556904810 /nfs/dbraw/zinc/90/48/10/556904810.db2.gz IFHPRXRRPWPNLO-CHWSQXEVSA-N 1 2 353.444 2.338 20 5 FEBDLO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000370601904 556919506 /nfs/dbraw/zinc/91/95/06/556919506.db2.gz LWGVCHPDFRSWFV-UHFFFAOYSA-N 1 2 356.382 2.090 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000370951752 557026027 /nfs/dbraw/zinc/02/60/27/557026027.db2.gz AQJQJAVFTQAARX-CYBMUJFWSA-N 1 2 364.427 2.264 20 5 FEBDLO Cc1c[nH]c(-c2ccccc2NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)[nH+]1 ZINC000371245568 557118573 /nfs/dbraw/zinc/11/85/73/557118573.db2.gz WVGVWRKTAFQLPW-UHFFFAOYSA-N 1 2 353.338 2.094 20 5 FEBDLO O=C(c1ccncc1)N1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000371444716 557189443 /nfs/dbraw/zinc/18/94/43/557189443.db2.gz CYIDHJNCMHZSHU-UHFFFAOYSA-N 1 2 358.373 2.477 20 5 FEBDLO O=C(c1ccncc1)N1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000371444716 557189445 /nfs/dbraw/zinc/18/94/45/557189445.db2.gz CYIDHJNCMHZSHU-UHFFFAOYSA-N 1 2 358.373 2.477 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000371504175 557202551 /nfs/dbraw/zinc/20/25/51/557202551.db2.gz CXIBNHMLQWRNOQ-INIZCTEOSA-N 1 2 355.398 2.055 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCOC[C@H](C3CCC3)C2)cc1 ZINC000517658968 562094948 /nfs/dbraw/zinc/09/49/48/562094948.db2.gz GNFPLQJVTAKVCM-OAHLLOKOSA-N 1 2 368.455 2.117 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCOC[C@H](C3CCC3)C2)cc1 ZINC000517658968 562094949 /nfs/dbraw/zinc/09/49/49/562094949.db2.gz GNFPLQJVTAKVCM-OAHLLOKOSA-N 1 2 368.455 2.117 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000371681826 557261687 /nfs/dbraw/zinc/26/16/87/557261687.db2.gz TXMXMZCMOJBCES-LPHOPBHVSA-N 1 2 374.393 2.114 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000371681826 557261689 /nfs/dbraw/zinc/26/16/89/557261689.db2.gz TXMXMZCMOJBCES-LPHOPBHVSA-N 1 2 374.393 2.114 20 5 FEBDLO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000372107388 557381241 /nfs/dbraw/zinc/38/12/41/557381241.db2.gz IXTSWLUWUVQDBV-IKGGRYGDSA-N 1 2 369.425 2.242 20 5 FEBDLO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000372107388 557381244 /nfs/dbraw/zinc/38/12/44/557381244.db2.gz IXTSWLUWUVQDBV-IKGGRYGDSA-N 1 2 369.425 2.242 20 5 FEBDLO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)c2ccccc2O1 ZINC000372234992 557417438 /nfs/dbraw/zinc/41/74/38/557417438.db2.gz BNLPKAPXDNLVBN-CYBMUJFWSA-N 1 2 357.366 2.270 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000372361442 557450211 /nfs/dbraw/zinc/45/02/11/557450211.db2.gz ZFVIIWWUIMZZKQ-CQSZACIVSA-N 1 2 359.386 2.076 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000372361442 557450214 /nfs/dbraw/zinc/45/02/14/557450214.db2.gz ZFVIIWWUIMZZKQ-CQSZACIVSA-N 1 2 359.386 2.076 20 5 FEBDLO O=C1NC[C@@]2(CCC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)O1 ZINC000372611431 557520643 /nfs/dbraw/zinc/52/06/43/557520643.db2.gz HNBQLHOYENMJAQ-QGZVFWFLSA-N 1 2 358.354 2.324 20 5 FEBDLO O=C1NC[C@@]2(CCC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)O1 ZINC000372611431 557520646 /nfs/dbraw/zinc/52/06/46/557520646.db2.gz HNBQLHOYENMJAQ-QGZVFWFLSA-N 1 2 358.354 2.324 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000373073656 557622092 /nfs/dbraw/zinc/62/20/92/557622092.db2.gz FWZPWDDYLNLRJC-LLVKDONJSA-N 1 2 358.354 2.077 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)N1CCCc2ccccc21 ZINC000373565817 557719047 /nfs/dbraw/zinc/71/90/47/557719047.db2.gz GEDJXCWLQLEEJC-INIZCTEOSA-N 1 2 369.425 2.408 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)N1CCCc2ccccc21 ZINC000373565817 557719049 /nfs/dbraw/zinc/71/90/49/557719049.db2.gz GEDJXCWLQLEEJC-INIZCTEOSA-N 1 2 369.425 2.408 20 5 FEBDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000374347998 557869255 /nfs/dbraw/zinc/86/92/55/557869255.db2.gz DTUMYXCWTPOYOA-CQSZACIVSA-N 1 2 365.386 2.199 20 5 FEBDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000374347998 557869256 /nfs/dbraw/zinc/86/92/56/557869256.db2.gz DTUMYXCWTPOYOA-CQSZACIVSA-N 1 2 365.386 2.199 20 5 FEBDLO COc1cc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc([N+](=O)[O-])c1C ZINC000374388472 557876939 /nfs/dbraw/zinc/87/69/39/557876939.db2.gz KWRMQMXSWDJDFI-OAHLLOKOSA-N 1 2 356.382 2.094 20 5 FEBDLO O=C(c1ccncc1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000374781983 557930457 /nfs/dbraw/zinc/93/04/57/557930457.db2.gz RHOTWCDDDPRJMK-UHFFFAOYSA-N 1 2 358.373 2.477 20 5 FEBDLO O=C(c1ccncc1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000374781983 557930459 /nfs/dbraw/zinc/93/04/59/557930459.db2.gz RHOTWCDDDPRJMK-UHFFFAOYSA-N 1 2 358.373 2.477 20 5 FEBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3ncnn3-c3ccccc3)C2)c1 ZINC000375612968 558056898 /nfs/dbraw/zinc/05/68/98/558056898.db2.gz PGEJILNPIVRVCB-OAHLLOKOSA-N 1 2 353.386 2.209 20 5 FEBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3ncnn3-c3ccccc3)C2)c1 ZINC000375612968 558056900 /nfs/dbraw/zinc/05/69/00/558056900.db2.gz PGEJILNPIVRVCB-OAHLLOKOSA-N 1 2 353.386 2.209 20 5 FEBDLO Cc1cc(N2CCC[C@H]3C(=O)NC[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000375988585 558110204 /nfs/dbraw/zinc/11/02/04/558110204.db2.gz MYGKMXITYOZDKD-HUUCEWRRSA-N 1 2 353.382 2.075 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1Cn1cccn1 ZINC000376217067 558142733 /nfs/dbraw/zinc/14/27/33/558142733.db2.gz WKFVTRIDIRGSDQ-HNNXBMFYSA-N 1 2 373.413 2.293 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1Cn1cccn1 ZINC000376217067 558142734 /nfs/dbraw/zinc/14/27/34/558142734.db2.gz WKFVTRIDIRGSDQ-HNNXBMFYSA-N 1 2 373.413 2.293 20 5 FEBDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000376908613 558237656 /nfs/dbraw/zinc/23/76/56/558237656.db2.gz FXCMFOJUEDTGQG-UHFFFAOYSA-N 1 2 364.427 2.089 20 5 FEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000377187148 558284202 /nfs/dbraw/zinc/28/42/02/558284202.db2.gz ZILJCRJMAVYZIX-QLJPJBMISA-N 1 2 353.806 2.422 20 5 FEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000377187148 558284204 /nfs/dbraw/zinc/28/42/04/558284204.db2.gz ZILJCRJMAVYZIX-QLJPJBMISA-N 1 2 353.806 2.422 20 5 FEBDLO Cc1cc(N2CCN3C(=O)OC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000378158289 558492793 /nfs/dbraw/zinc/49/27/93/558492793.db2.gz KMXXYKYQOAQQRG-AWEZNQCLSA-N 1 2 355.354 2.001 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)CCC2 ZINC000378254953 558512774 /nfs/dbraw/zinc/51/27/74/558512774.db2.gz VPOIBSPTAYIVOW-ZDUSSCGKSA-N 1 2 364.427 2.264 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000378265660 558515222 /nfs/dbraw/zinc/51/52/22/558515222.db2.gz VIECPWMPYWJJSN-SNVBAGLBSA-N 1 2 370.818 2.160 20 5 FEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000408040408 558641041 /nfs/dbraw/zinc/64/10/41/558641041.db2.gz GNUYNDBTYGQQTF-ZIAGYGMSSA-N 1 2 355.460 2.315 20 5 FEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000408040408 558641042 /nfs/dbraw/zinc/64/10/42/558641042.db2.gz GNUYNDBTYGQQTF-ZIAGYGMSSA-N 1 2 355.460 2.315 20 5 FEBDLO CCN1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000412276845 559024456 /nfs/dbraw/zinc/02/44/56/559024456.db2.gz VBQWISUMJIOSTD-BBWFWOEESA-N 1 2 369.425 2.327 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCO[C@H](C2CCC2)C1 ZINC000412457024 559037011 /nfs/dbraw/zinc/03/70/11/559037011.db2.gz JIYLNRCFWSVBOG-KRWDZBQOSA-N 1 2 356.382 2.422 20 5 FEBDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCCc3cccc([N+](=O)[O-])c3)[nH+]cn2)C1 ZINC000413208707 559088566 /nfs/dbraw/zinc/08/85/66/559088566.db2.gz MZXOYVCWEDUAMB-UKRRQHHQSA-N 1 2 357.414 2.247 20 5 FEBDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCCc3cccc([N+](=O)[O-])c3)nc[nH+]2)C1 ZINC000413208707 559088568 /nfs/dbraw/zinc/08/85/68/559088568.db2.gz MZXOYVCWEDUAMB-UKRRQHHQSA-N 1 2 357.414 2.247 20 5 FEBDLO CS(=O)(=O)NC[C@H]1CCC[C@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413284254 559095329 /nfs/dbraw/zinc/09/53/29/559095329.db2.gz PBKPDNIOEONOKZ-IUODEOHRSA-N 1 2 364.427 2.273 20 5 FEBDLO CCc1cc(NC[C@@]2(C)CCC(=O)N2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413346375 559100556 /nfs/dbraw/zinc/10/05/56/559100556.db2.gz WFXCHFCJKSYLFF-GOSISDBHSA-N 1 2 355.398 2.117 20 5 FEBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000415989218 559287332 /nfs/dbraw/zinc/28/73/32/559287332.db2.gz LDQVTGTZMHYOKA-UHFFFAOYSA-N 1 2 373.356 2.037 20 5 FEBDLO CC[N@@H+]1CCO[C@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 ZINC000420485570 559489972 /nfs/dbraw/zinc/48/99/72/559489972.db2.gz AZADBCYYBPWVFJ-HNNXBMFYSA-N 1 2 357.370 2.443 20 5 FEBDLO CC[N@H+]1CCO[C@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 ZINC000420485570 559489973 /nfs/dbraw/zinc/48/99/73/559489973.db2.gz AZADBCYYBPWVFJ-HNNXBMFYSA-N 1 2 357.370 2.443 20 5 FEBDLO [NH3+][C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1cscn1 ZINC000423226491 559623222 /nfs/dbraw/zinc/62/32/22/559623222.db2.gz QWQGUANAYFPGQF-HNNXBMFYSA-N 1 2 362.411 2.121 20 5 FEBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000425309095 559696138 /nfs/dbraw/zinc/69/61/38/559696138.db2.gz CPMBNBHMJJXPSB-UHFFFAOYSA-N 1 2 368.397 2.300 20 5 FEBDLO CC(C)n1c[nH+]cc1CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000425370301 559698341 /nfs/dbraw/zinc/69/83/41/559698341.db2.gz NSIUADXTKBLDCN-UHFFFAOYSA-N 1 2 357.414 2.330 20 5 FEBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425441172 559702508 /nfs/dbraw/zinc/70/25/08/559702508.db2.gz HYVCGJPWDOUHHB-IUPBHXKESA-N 1 2 368.231 2.443 20 5 FEBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425441172 559702509 /nfs/dbraw/zinc/70/25/09/559702509.db2.gz HYVCGJPWDOUHHB-IUPBHXKESA-N 1 2 368.231 2.443 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](n4ccnn4)C3)n2)cc1 ZINC000425500180 559706004 /nfs/dbraw/zinc/70/60/04/559706004.db2.gz CNRXEDOQGCZKDV-CQSZACIVSA-N 1 2 355.358 2.073 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H](n4ccnn4)C3)n2)cc1 ZINC000425500180 559706005 /nfs/dbraw/zinc/70/60/05/559706005.db2.gz CNRXEDOQGCZKDV-CQSZACIVSA-N 1 2 355.358 2.073 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](n4ccnn4)C3)n2)c1 ZINC000425503292 559706164 /nfs/dbraw/zinc/70/61/64/559706164.db2.gz RXQGBVHSXMYKLF-AWEZNQCLSA-N 1 2 355.358 2.073 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](n4ccnn4)C3)n2)c1 ZINC000425503292 559706165 /nfs/dbraw/zinc/70/61/65/559706165.db2.gz RXQGBVHSXMYKLF-AWEZNQCLSA-N 1 2 355.358 2.073 20 5 FEBDLO CC[C@@](C)(C(=O)OC)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CC1 ZINC000425512392 559707155 /nfs/dbraw/zinc/70/71/55/559707155.db2.gz MZLCUJAXRCVTHT-SFHVURJKSA-N 1 2 363.414 2.247 20 5 FEBDLO CC[C@@](C)(C(=O)OC)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CC1 ZINC000425512392 559707156 /nfs/dbraw/zinc/70/71/56/559707156.db2.gz MZLCUJAXRCVTHT-SFHVURJKSA-N 1 2 363.414 2.247 20 5 FEBDLO CC[C@H]1C[N@H+](CCNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000427755570 559761539 /nfs/dbraw/zinc/76/15/39/559761539.db2.gz ILWQCWITUFFZLF-HIFRSBDPSA-N 1 2 367.471 2.302 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000427755570 559761540 /nfs/dbraw/zinc/76/15/40/559761540.db2.gz ILWQCWITUFFZLF-HIFRSBDPSA-N 1 2 367.471 2.302 20 5 FEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431763107 559845483 /nfs/dbraw/zinc/84/54/83/559845483.db2.gz VCUIIJQQLDXSCM-SECBINFHSA-N 1 2 353.176 2.372 20 5 FEBDLO CCN1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H]1c1[nH]cc[nH+]1 ZINC000433466312 559882323 /nfs/dbraw/zinc/88/23/23/559882323.db2.gz ARFRXOPCMJHMFY-INIZCTEOSA-N 1 2 368.397 2.318 20 5 FEBDLO NC(=O)c1cc([N+](=O)[O-])cnc1NCc1[nH+]ccn1CCc1ccccc1 ZINC000433623663 559885217 /nfs/dbraw/zinc/88/52/17/559885217.db2.gz VXVXFONIKQJQEK-UHFFFAOYSA-N 1 2 366.381 2.140 20 5 FEBDLO O=C(NC1CC1)[C@H](O)C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000434717486 559907540 /nfs/dbraw/zinc/90/75/40/559907540.db2.gz IFDKXBKLKQGKCH-MRXNPFEDSA-N 1 2 367.833 2.100 20 5 FEBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000440645619 560015320 /nfs/dbraw/zinc/01/53/20/560015320.db2.gz QXYTZPVUMITQBM-QGZVFWFLSA-N 1 2 367.450 2.020 20 5 FEBDLO O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442915871 560062154 /nfs/dbraw/zinc/06/21/54/560062154.db2.gz SILZNUNMJCETSA-UHFFFAOYSA-N 1 2 372.406 2.318 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nncn3-c3ccccc3)C2)nc1 ZINC000444659883 560117895 /nfs/dbraw/zinc/11/78/95/560117895.db2.gz QUSLXYQNLVNBSK-CQSZACIVSA-N 1 2 365.397 2.257 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3nncn3-c3ccccc3)C2)nc1 ZINC000444659883 560117896 /nfs/dbraw/zinc/11/78/96/560117896.db2.gz QUSLXYQNLVNBSK-CQSZACIVSA-N 1 2 365.397 2.257 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000447838690 560170728 /nfs/dbraw/zinc/17/07/28/560170728.db2.gz CVNKQPRUFNEKRE-IYOUNJFTSA-N 1 2 363.414 2.110 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000447838690 560170729 /nfs/dbraw/zinc/17/07/29/560170729.db2.gz CVNKQPRUFNEKRE-IYOUNJFTSA-N 1 2 363.414 2.110 20 5 FEBDLO COC(=O)C1(N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCC1 ZINC000450241801 560255367 /nfs/dbraw/zinc/25/53/67/560255367.db2.gz MVQPTQVUKQBLDD-UHFFFAOYSA-N 1 2 372.381 2.338 20 5 FEBDLO COC(=O)C(C)(C)[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450453614 560262701 /nfs/dbraw/zinc/26/27/01/560262701.db2.gz PQJBRXFZRPSCCL-UHFFFAOYSA-N 1 2 358.398 2.217 20 5 FEBDLO O=C(N[C@H](CO)CC1CCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450455318 560262859 /nfs/dbraw/zinc/26/28/59/560262859.db2.gz UMZTWHAQZJZWAT-HNNXBMFYSA-N 1 2 358.398 2.452 20 5 FEBDLO C[C@H]1C[N@H+](CCO)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000450959219 560280012 /nfs/dbraw/zinc/28/00/12/560280012.db2.gz XWQQMLQVMPWPAA-HNNXBMFYSA-N 1 2 369.421 2.329 20 5 FEBDLO C[C@H]1C[N@@H+](CCO)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000450959219 560280013 /nfs/dbraw/zinc/28/00/13/560280013.db2.gz XWQQMLQVMPWPAA-HNNXBMFYSA-N 1 2 369.421 2.329 20 5 FEBDLO CCC[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OCC ZINC000451303233 560299111 /nfs/dbraw/zinc/29/91/11/560299111.db2.gz LZZLWSAXKFCVOX-CQSZACIVSA-N 1 2 374.397 2.490 20 5 FEBDLO COc1cc(C[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000451734220 560325608 /nfs/dbraw/zinc/32/56/08/560325608.db2.gz CHLRKPHGHREBHF-INIZCTEOSA-N 1 2 354.428 2.004 20 5 FEBDLO COc1cc(C[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000451734220 560325609 /nfs/dbraw/zinc/32/56/09/560325609.db2.gz CHLRKPHGHREBHF-INIZCTEOSA-N 1 2 354.428 2.004 20 5 FEBDLO COc1cc(C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)ccc1[N+](=O)[O-] ZINC000451796345 560329046 /nfs/dbraw/zinc/32/90/46/560329046.db2.gz BLMLIGJWYVLAAD-ZDUSSCGKSA-N 1 2 357.357 2.339 20 5 FEBDLO COc1cc(C[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)ccc1[N+](=O)[O-] ZINC000451796345 560329047 /nfs/dbraw/zinc/32/90/47/560329047.db2.gz BLMLIGJWYVLAAD-ZDUSSCGKSA-N 1 2 357.357 2.339 20 5 FEBDLO CO[C@H]1C[C@@H]([N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000451861429 560332952 /nfs/dbraw/zinc/33/29/52/560332952.db2.gz XMGZVTCQAQKSBI-CVEARBPZSA-N 1 2 368.455 2.258 20 5 FEBDLO CO[C@H]1C[C@@H]([N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000451861429 560332953 /nfs/dbraw/zinc/33/29/53/560332953.db2.gz XMGZVTCQAQKSBI-CVEARBPZSA-N 1 2 368.455 2.258 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451904747 560336122 /nfs/dbraw/zinc/33/61/22/560336122.db2.gz KITIJDAIZQKCAY-QMTHXVAHSA-N 1 2 361.320 2.087 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451904747 560336123 /nfs/dbraw/zinc/33/61/23/560336123.db2.gz KITIJDAIZQKCAY-QMTHXVAHSA-N 1 2 361.320 2.087 20 5 FEBDLO C[C@H]1C[C@@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c2[nH+]ccn21 ZINC000455492174 560484517 /nfs/dbraw/zinc/48/45/17/560484517.db2.gz XRGNGBRFVUCLNI-XJKSGUPXSA-N 1 2 370.413 2.329 20 5 FEBDLO COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000456160921 560509226 /nfs/dbraw/zinc/50/92/26/560509226.db2.gz SOFKHNHVZYCXCU-KGLIPLIRSA-N 1 2 372.381 2.242 20 5 FEBDLO CC(C)(C)c1nnc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[nH]1 ZINC000458024667 560599754 /nfs/dbraw/zinc/59/97/54/560599754.db2.gz JUQBTNDDOJAEKV-UHFFFAOYSA-N 1 2 369.385 2.126 20 5 FEBDLO Cc1sc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000467080611 560903236 /nfs/dbraw/zinc/90/32/36/560903236.db2.gz VGNQKGNCFDYPSO-SNVBAGLBSA-N 1 2 356.429 2.256 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)CCC2 ZINC000468698846 560936428 /nfs/dbraw/zinc/93/64/28/560936428.db2.gz CHCMKPGOWYMXCY-GFCCVEGCSA-N 1 2 364.427 2.493 20 5 FEBDLO COc1ccc(CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000469116598 560947559 /nfs/dbraw/zinc/94/75/59/560947559.db2.gz VHZQYFLQWWOJNZ-HNNXBMFYSA-N 1 2 372.381 2.361 20 5 FEBDLO COc1cc(S(=O)(=O)Nc2ccc3c(c2)[nH+]cn3C)ccc1[N+](=O)[O-] ZINC000469346064 560952962 /nfs/dbraw/zinc/95/29/62/560952962.db2.gz RKOUIFAXMRDFEM-UHFFFAOYSA-N 1 2 362.367 2.291 20 5 FEBDLO CCN1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000471060670 560997223 /nfs/dbraw/zinc/99/72/23/560997223.db2.gz BVPXLYRYCNGCFP-XJKSGUPXSA-N 1 2 372.429 2.024 20 5 FEBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473514807 561051671 /nfs/dbraw/zinc/05/16/71/561051671.db2.gz UEQFMXVFSMCPMS-AWEZNQCLSA-N 1 2 371.441 2.180 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000475720266 561103156 /nfs/dbraw/zinc/10/31/56/561103156.db2.gz JXJGQGIJTWHZGB-OAHLLOKOSA-N 1 2 357.414 2.113 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000475720266 561103157 /nfs/dbraw/zinc/10/31/57/561103157.db2.gz JXJGQGIJTWHZGB-OAHLLOKOSA-N 1 2 357.414 2.113 20 5 FEBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2cc([N+](=O)[O-])nn2C)c(C)c1 ZINC000476647407 561125237 /nfs/dbraw/zinc/12/52/37/561125237.db2.gz ZEOAEFQVSOLZLK-OAHLLOKOSA-N 1 2 368.397 2.313 20 5 FEBDLO C[N@@H+]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(C)(C)C ZINC000602873863 568009744 /nfs/dbraw/zinc/00/97/44/568009744.db2.gz MOQPQHPBFMUFDW-INIZCTEOSA-N 1 2 369.487 2.031 20 5 FEBDLO C[N@H+]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(C)(C)C ZINC000602873863 568009746 /nfs/dbraw/zinc/00/97/46/568009746.db2.gz MOQPQHPBFMUFDW-INIZCTEOSA-N 1 2 369.487 2.031 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1(C)C ZINC000568841475 568232276 /nfs/dbraw/zinc/23/22/76/568232276.db2.gz COEKMSUYYQRRAF-CQSZACIVSA-N 1 2 358.354 2.280 20 5 FEBDLO CCCc1[nH]nc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000609476804 568323976 /nfs/dbraw/zinc/32/39/76/568323976.db2.gz VNHOAPZBLXUOEF-UHFFFAOYSA-N 1 2 373.413 2.355 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[C@H](CNc3cccc[nH+]3)C2)cc1-c1nn[nH]n1 ZINC000826498109 607841615 /nfs/dbraw/zinc/84/16/15/607841615.db2.gz HTSLTWFUKPFICV-GFCCVEGCSA-N 1 2 366.385 2.108 20 5 FEBDLO Cc1c(Br)c(=O)n(CCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000563438864 674889025 /nfs/dbraw/zinc/88/90/25/674889025.db2.gz HSOOYWNNWMVVMM-UHFFFAOYSA-N 1 2 355.192 2.194 20 5 FEBDLO CC(C)Oc1nc(N2CCC[C@H]2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000565225024 675103760 /nfs/dbraw/zinc/10/37/60/675103760.db2.gz QFIQAFQMQMMMMH-AWEZNQCLSA-N 1 2 350.419 2.078 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CC2(C)CC2)CC1 ZINC000575112761 671298920 /nfs/dbraw/zinc/29/89/20/671298920.db2.gz YUEGUNZLUPQOOZ-UHFFFAOYSA-N 1 2 353.444 2.010 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)nc1 ZINC000609564251 675926560 /nfs/dbraw/zinc/92/65/60/675926560.db2.gz ZYZMKPBBYMHIQE-MRXNPFEDSA-N 1 2 362.817 2.499 20 5 FEBDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000122510809 671967640 /nfs/dbraw/zinc/96/76/40/671967640.db2.gz DQJOFEGQGVJNCH-STQMWFEESA-N 1 2 353.423 2.374 20 5 FEBDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000122510809 671967644 /nfs/dbraw/zinc/96/76/44/671967644.db2.gz DQJOFEGQGVJNCH-STQMWFEESA-N 1 2 353.423 2.374 20 5 FEBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC(n2cc[nH+]c2)C1 ZINC000610914475 676005248 /nfs/dbraw/zinc/00/52/48/676005248.db2.gz YJQHZFLRJCJFRW-UHFFFAOYSA-N 1 2 351.160 2.251 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000593056124 672869291 /nfs/dbraw/zinc/86/92/91/672869291.db2.gz YMNNXLBGHMYTHG-CQSZACIVSA-N 1 2 351.403 2.431 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000593056124 672869294 /nfs/dbraw/zinc/86/92/94/672869294.db2.gz YMNNXLBGHMYTHG-CQSZACIVSA-N 1 2 351.403 2.431 20 5 FEBDLO COCC(COC)[NH+]1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596269726 673373144 /nfs/dbraw/zinc/37/31/44/673373144.db2.gz DYLYIGGHADEVNU-UHFFFAOYSA-N 1 2 373.837 2.040 20 5 FEBDLO COCC[NH+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000542357566 673577177 /nfs/dbraw/zinc/57/71/77/673577177.db2.gz JMXLBNVHXLMHKR-UHFFFAOYSA-N 1 2 373.862 2.131 20 5 FEBDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598619912 673591447 /nfs/dbraw/zinc/59/14/47/673591447.db2.gz QAZSVXIDXBMMKZ-AWEZNQCLSA-N 1 2 355.460 2.316 20 5 FEBDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598619912 673591448 /nfs/dbraw/zinc/59/14/48/673591448.db2.gz QAZSVXIDXBMMKZ-AWEZNQCLSA-N 1 2 355.460 2.316 20 5 FEBDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CC1 ZINC000598621398 673591674 /nfs/dbraw/zinc/59/16/74/673591674.db2.gz VNEFMGAFNSFEPJ-ZDUSSCGKSA-N 1 2 355.460 2.316 20 5 FEBDLO Cc1c(Br)cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000598945370 673624034 /nfs/dbraw/zinc/62/40/34/673624034.db2.gz ZYESMSSSNZVEEE-JTQLQIEISA-N 1 2 365.187 2.217 20 5 FEBDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000741147275 673673154 /nfs/dbraw/zinc/67/31/54/673673154.db2.gz HTRFFERCDQCSCN-CYBMUJFWSA-N 1 2 353.350 2.090 20 5 FEBDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000741147275 673673156 /nfs/dbraw/zinc/67/31/56/673673156.db2.gz HTRFFERCDQCSCN-CYBMUJFWSA-N 1 2 353.350 2.090 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599464898 673679015 /nfs/dbraw/zinc/67/90/15/673679015.db2.gz WNIZXZMJJSWNPH-GFCCVEGCSA-N 1 2 357.407 2.029 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599464898 673679019 /nfs/dbraw/zinc/67/90/19/673679019.db2.gz WNIZXZMJJSWNPH-GFCCVEGCSA-N 1 2 357.407 2.029 20 5 FEBDLO O=C1NCC2(CC[NH+](Cc3cccc([N+](=O)[O-])c3Br)CC2)O1 ZINC000839573557 680762974 /nfs/dbraw/zinc/76/29/74/680762974.db2.gz COKIMSBEOFNXPW-UHFFFAOYSA-N 1 2 370.203 2.432 20 5 FEBDLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cccc([N+](=O)[O-])c1Br ZINC000839589466 680764180 /nfs/dbraw/zinc/76/41/80/680764180.db2.gz MBWLVRONOVMPIH-JQWIXIFHSA-N 1 2 359.220 2.329 20 5 FEBDLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cccc([N+](=O)[O-])c1Br ZINC000839589466 680764181 /nfs/dbraw/zinc/76/41/81/680764181.db2.gz MBWLVRONOVMPIH-JQWIXIFHSA-N 1 2 359.220 2.329 20 5 FEBDLO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC001045435787 680629447 /nfs/dbraw/zinc/62/94/47/680629447.db2.gz AXSHQBDSOXCMRZ-ZIAGYGMSSA-N 1 2 364.471 2.156 20 5 FEBDLO CCc1[nH]nc(C(=O)Nc2nc(C[NH+](CC)CC)cs2)c1[N+](=O)[O-] ZINC000767687957 680922197 /nfs/dbraw/zinc/92/21/97/680922197.db2.gz VDBHFUFYLSGOEL-UHFFFAOYSA-N 1 2 352.420 2.431 20 5 FEBDLO C[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847181433 681341304 /nfs/dbraw/zinc/34/13/04/681341304.db2.gz ISOKAFHDNNWYMM-UTUOFQBUSA-N 1 2 355.822 2.476 20 5 FEBDLO C[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847181433 681341306 /nfs/dbraw/zinc/34/13/06/681341306.db2.gz ISOKAFHDNNWYMM-UTUOFQBUSA-N 1 2 355.822 2.476 20 5 FEBDLO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000776841803 681440047 /nfs/dbraw/zinc/44/00/47/681440047.db2.gz PFPAZSRMVRWNQV-UHFFFAOYSA-N 1 2 364.431 2.181 20 5 FEBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000777219044 681473160 /nfs/dbraw/zinc/47/31/60/681473160.db2.gz AVOBQCCKBSEAEC-SNVBAGLBSA-N 1 2 352.192 2.396 20 5 FEBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000777219044 681473164 /nfs/dbraw/zinc/47/31/64/681473164.db2.gz AVOBQCCKBSEAEC-SNVBAGLBSA-N 1 2 352.192 2.396 20 5 FEBDLO O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000913386573 685476131 /nfs/dbraw/zinc/47/61/31/685476131.db2.gz WJXSDHOOJDKDLM-SNVBAGLBSA-N 1 2 352.753 2.463 20 5 FEBDLO Cc1nn(C[N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000779859732 681761099 /nfs/dbraw/zinc/76/10/99/681761099.db2.gz YPRJZTZOCOSJCI-ZDUSSCGKSA-N 1 2 353.423 2.294 20 5 FEBDLO Cc1nn(C[N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000779859732 681761103 /nfs/dbraw/zinc/76/11/03/681761103.db2.gz YPRJZTZOCOSJCI-ZDUSSCGKSA-N 1 2 353.423 2.294 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000935712354 681806016 /nfs/dbraw/zinc/80/60/16/681806016.db2.gz CJYKJKMRTPIHRI-ZDUSSCGKSA-N 1 2 369.849 2.360 20 5 FEBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cn3ccc(-c4nccs4)n3)CC2)n1 ZINC000782858513 682088025 /nfs/dbraw/zinc/08/80/25/682088025.db2.gz AMLUSMODQBAPDX-UHFFFAOYSA-N 1 2 359.415 2.406 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000930863519 683794008 /nfs/dbraw/zinc/79/40/08/683794008.db2.gz OUYVCLZDUXSWAR-AWEZNQCLSA-N 1 2 350.419 2.396 20 5 FEBDLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930967033 683811853 /nfs/dbraw/zinc/81/18/53/683811853.db2.gz SVPXKXOZSXWBGT-GFCCVEGCSA-N 1 2 370.203 2.384 20 5 FEBDLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930967033 683811857 /nfs/dbraw/zinc/81/18/57/683811857.db2.gz SVPXKXOZSXWBGT-GFCCVEGCSA-N 1 2 370.203 2.384 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])s1 ZINC000867198695 684224582 /nfs/dbraw/zinc/22/45/82/684224582.db2.gz OVLVDJBJNGZTQK-NSHDSACASA-N 1 2 370.456 2.267 20 5 FEBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932005836 684387844 /nfs/dbraw/zinc/38/78/44/684387844.db2.gz XNAZOWAMBHIQAN-WDEREUQCSA-N 1 2 369.805 2.270 20 5 FEBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932005836 684387850 /nfs/dbraw/zinc/38/78/50/684387850.db2.gz XNAZOWAMBHIQAN-WDEREUQCSA-N 1 2 369.805 2.270 20 5 FEBDLO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CCn2c[nH+]cc2C1 ZINC000868445711 684495461 /nfs/dbraw/zinc/49/54/61/684495461.db2.gz WQWBTJSJYZKEDD-UHFFFAOYSA-N 1 2 365.187 2.139 20 5 FEBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925252365 684544465 /nfs/dbraw/zinc/54/44/65/684544465.db2.gz JSNFOOQYUFCPNS-HIFRSBDPSA-N 1 2 350.419 2.066 20 5 FEBDLO CS(=O)(=O)c1ccc(N2CC[NH+](CCCC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000877909111 686480074 /nfs/dbraw/zinc/48/00/74/686480074.db2.gz FWLCIVUKZVNRKJ-UHFFFAOYSA-N 1 2 367.471 2.311 20 5 FEBDLO COc1cc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000895841685 689778966 /nfs/dbraw/zinc/77/89/66/689778966.db2.gz AQNXFAUISRAWDV-AWEZNQCLSA-N 1 2 364.320 2.359 20 5 FEBDLO COc1cc(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000895841685 689778969 /nfs/dbraw/zinc/77/89/69/689778969.db2.gz AQNXFAUISRAWDV-AWEZNQCLSA-N 1 2 364.320 2.359 20 5 FEBDLO CN(C)CC[NH+]1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000486154754 887225704 /nfs/dbraw/zinc/22/57/04/887225704.db2.gz HIORHALSVXUJBT-UHFFFAOYSA-N 1 2 360.418 2.083 20 5 FEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800201650 674032617 /nfs/dbraw/zinc/03/26/17/674032617.db2.gz KCYCRDYDFHQQEB-GOEBONIOSA-N 1 2 350.415 2.427 20 5 FEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800201650 674032622 /nfs/dbraw/zinc/03/26/22/674032622.db2.gz KCYCRDYDFHQQEB-GOEBONIOSA-N 1 2 350.415 2.427 20 5 FEBDLO CNC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000007995185 539474162 /nfs/dbraw/zinc/47/41/62/539474162.db2.gz MIHSIIANDVZEHJ-UHFFFAOYSA-N 1 2 370.409 2.333 20 5 FEBDLO CNC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000007995185 539474165 /nfs/dbraw/zinc/47/41/65/539474165.db2.gz MIHSIIANDVZEHJ-UHFFFAOYSA-N 1 2 370.409 2.333 20 5 FEBDLO C[N@@H+]1CCCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000015210376 539613546 /nfs/dbraw/zinc/61/35/46/539613546.db2.gz GRWSKWITAMGLQG-UHFFFAOYSA-N 1 2 367.349 2.030 20 5 FEBDLO C[N@H+]1CCCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000015210376 539613550 /nfs/dbraw/zinc/61/35/50/539613550.db2.gz GRWSKWITAMGLQG-UHFFFAOYSA-N 1 2 367.349 2.030 20 5 FEBDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000015572761 539620195 /nfs/dbraw/zinc/62/01/95/539620195.db2.gz DVXVWFLZRCKJPC-CALCHBBNSA-N 1 2 374.485 2.217 20 5 FEBDLO C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000015572761 539620198 /nfs/dbraw/zinc/62/01/98/539620198.db2.gz DVXVWFLZRCKJPC-CALCHBBNSA-N 1 2 374.485 2.217 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000023146140 539707762 /nfs/dbraw/zinc/70/77/62/539707762.db2.gz XFVCEZXFFKPJLO-UHFFFAOYSA-N 1 2 355.394 2.432 20 5 FEBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000030012782 539873002 /nfs/dbraw/zinc/87/30/02/539873002.db2.gz NBJBVESUWNQUJG-UHFFFAOYSA-N 1 2 370.365 2.249 20 5 FEBDLO O=C(NCc1cccnc1-n1cc[nH+]c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000029918364 539869310 /nfs/dbraw/zinc/86/93/10/539869310.db2.gz CLAAMJMEWWYNCQ-UHFFFAOYSA-N 1 2 368.309 2.014 20 5 FEBDLO COc1cccc(N2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)c1 ZINC000030964104 539895128 /nfs/dbraw/zinc/89/51/28/539895128.db2.gz BFBOSLQFYJQUBU-UHFFFAOYSA-N 1 2 370.409 2.025 20 5 FEBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000032315456 539934411 /nfs/dbraw/zinc/93/44/11/539934411.db2.gz DDLYICYDCDRQLG-UHFFFAOYSA-N 1 2 366.381 2.396 20 5 FEBDLO CN(C)c1[nH+]cccc1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000032690461 539947429 /nfs/dbraw/zinc/94/74/29/539947429.db2.gz YQVXXRSAPJJSCD-UHFFFAOYSA-N 1 2 366.381 2.172 20 5 FEBDLO CC(C)(CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000043343070 540098485 /nfs/dbraw/zinc/09/84/85/540098485.db2.gz ZGRJBCTZXZQOKZ-UHFFFAOYSA-N 1 2 356.810 2.481 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000045632455 540218904 /nfs/dbraw/zinc/21/89/04/540218904.db2.gz ULQMCSGNKGWCSS-AWEZNQCLSA-N 1 2 374.441 2.256 20 5 FEBDLO O=C(C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)Nc1cccc(F)c1 ZINC000047743343 540327177 /nfs/dbraw/zinc/32/71/77/540327177.db2.gz BHDZKBICUHKLMZ-UHFFFAOYSA-N 1 2 358.373 2.495 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047866016 540331256 /nfs/dbraw/zinc/33/12/56/540331256.db2.gz FYSCZKBRIHHGRZ-JTQLQIEISA-N 1 2 374.344 2.038 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)ccc1NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000052433720 540466015 /nfs/dbraw/zinc/46/60/15/540466015.db2.gz AOXQMLOWLNQMHO-UHFFFAOYSA-N 1 2 362.821 2.272 20 5 FEBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1cccnc1-n1cc[nH+]c1 ZINC000054647260 540599619 /nfs/dbraw/zinc/59/96/19/540599619.db2.gz IVYIHCSNJKIEIY-UHFFFAOYSA-N 1 2 366.381 2.217 20 5 FEBDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000065969396 541274712 /nfs/dbraw/zinc/27/47/12/541274712.db2.gz UEOSLOKXPACBLA-OAHLLOKOSA-N 1 2 360.458 2.160 20 5 FEBDLO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000065969396 541274716 /nfs/dbraw/zinc/27/47/16/541274716.db2.gz UEOSLOKXPACBLA-OAHLLOKOSA-N 1 2 360.458 2.160 20 5 FEBDLO NS(=O)(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])c1 ZINC000066372390 541309007 /nfs/dbraw/zinc/30/90/07/541309007.db2.gz YUGGAUKZWZKKDW-UHFFFAOYSA-N 1 2 373.394 2.040 20 5 FEBDLO O=C(CNc1ccccc1[N+](=O)[O-])Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000068229865 541566253 /nfs/dbraw/zinc/56/62/53/541566253.db2.gz SKXBQAXAFYKMIN-UHFFFAOYSA-N 1 2 370.409 2.478 20 5 FEBDLO C[C@H]1CN(c2ccc(CNC(=O)c3cc(F)ccc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000068975674 541646173 /nfs/dbraw/zinc/64/61/73/541646173.db2.gz BMZORTATVAPQST-LBPRGKRZSA-N 1 2 374.372 2.284 20 5 FEBDLO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000110274239 206073601 /nfs/dbraw/zinc/07/36/01/206073601.db2.gz SDDWWDBLNULWAF-AWEZNQCLSA-N 1 2 362.430 2.018 20 5 FEBDLO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000110274239 206073605 /nfs/dbraw/zinc/07/36/05/206073605.db2.gz SDDWWDBLNULWAF-AWEZNQCLSA-N 1 2 362.430 2.018 20 5 FEBDLO O=C(Cc1ccccc1[N+](=O)[O-])NC1CC[NH+](Cc2cscn2)CC1 ZINC000076896529 542328882 /nfs/dbraw/zinc/32/88/82/542328882.db2.gz CTJPUIWOQJLYRU-UHFFFAOYSA-N 1 2 360.439 2.375 20 5 FEBDLO Cc1ncsc1CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000077359559 542372547 /nfs/dbraw/zinc/37/25/47/542372547.db2.gz NAGQRTWPYOIIKQ-UHFFFAOYSA-N 1 2 360.439 2.360 20 5 FEBDLO Cc1n[nH]c(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c1[N+](=O)[O-] ZINC000081318018 542648353 /nfs/dbraw/zinc/64/83/53/542648353.db2.gz RPJGVJAVYJIYBK-CYBMUJFWSA-N 1 2 354.370 2.074 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000088777300 542756314 /nfs/dbraw/zinc/75/63/14/542756314.db2.gz JJXYEBPEVNHPHD-LBPRGKRZSA-N 1 2 350.400 2.195 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093103157 542909000 /nfs/dbraw/zinc/90/90/00/542909000.db2.gz YHJKCXHYTHWZEC-ABAIWWIYSA-N 1 2 362.407 2.432 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093103157 542909002 /nfs/dbraw/zinc/90/90/02/542909002.db2.gz YHJKCXHYTHWZEC-ABAIWWIYSA-N 1 2 362.407 2.432 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)cc1C ZINC000101922973 543050530 /nfs/dbraw/zinc/05/05/30/543050530.db2.gz XLLMUBRCQSTTHJ-UHFFFAOYSA-N 1 2 364.427 2.434 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111295044 543393646 /nfs/dbraw/zinc/39/36/46/543393646.db2.gz NNBOUQWQLSZKJX-BBRMVZONSA-N 1 2 360.414 2.009 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111295044 543393648 /nfs/dbraw/zinc/39/36/48/543393648.db2.gz NNBOUQWQLSZKJX-BBRMVZONSA-N 1 2 360.414 2.009 20 5 FEBDLO O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000114490710 543521617 /nfs/dbraw/zinc/52/16/17/543521617.db2.gz SQKWTCZRNKCNPC-UHFFFAOYSA-N 1 2 365.327 2.492 20 5 FEBDLO CN(C)c1[nH+]cccc1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000117242173 543624832 /nfs/dbraw/zinc/62/48/32/543624832.db2.gz DWJRGRLVWQNBIF-UHFFFAOYSA-N 1 2 353.338 2.150 20 5 FEBDLO O=C(CSCC[NH+]1CCOCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000127373712 543989230 /nfs/dbraw/zinc/98/92/30/543989230.db2.gz JJXSKRMXWIZOQX-UHFFFAOYSA-N 1 2 359.835 2.252 20 5 FEBDLO CCNC(=O)CN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000129178877 544095784 /nfs/dbraw/zinc/09/57/84/544095784.db2.gz NEXKFHDQABUZBL-UHFFFAOYSA-N 1 2 372.425 2.109 20 5 FEBDLO COc1cc(OC)cc([C@H](Nc2c([N+](=O)[O-])ncn2C)c2[nH+]ccn2C)c1 ZINC000139591262 544403515 /nfs/dbraw/zinc/40/35/15/544403515.db2.gz MCDGMTSBRXFXCV-AWEZNQCLSA-N 1 2 372.385 2.281 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000151484898 544546988 /nfs/dbraw/zinc/54/69/88/544546988.db2.gz ZUAGGFCBSWCPAY-BBRMVZONSA-N 1 2 371.397 2.148 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153119759 544735810 /nfs/dbraw/zinc/73/58/10/544735810.db2.gz SFLJKLNDIOWJKB-LBPRGKRZSA-N 1 2 368.393 2.079 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153119759 544735814 /nfs/dbraw/zinc/73/58/14/544735814.db2.gz SFLJKLNDIOWJKB-LBPRGKRZSA-N 1 2 368.393 2.079 20 5 FEBDLO O=[N+]([O-])c1ccc(OC[C@H](O)C[NH+]2CCOCC2)c(Cc2ccccc2)c1 ZINC000153708255 544811695 /nfs/dbraw/zinc/81/16/95/544811695.db2.gz CDVOROQOYKNUTK-LJQANCHMSA-N 1 2 372.421 2.258 20 5 FEBDLO CC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H](O)C(F)(F)F ZINC000189438448 328148360 /nfs/dbraw/zinc/14/83/60/328148360.db2.gz UYKXLXXKKKDVFO-GFCCVEGCSA-N 1 2 350.293 2.206 20 5 FEBDLO CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H](O)C(F)(F)F ZINC000189438448 328148361 /nfs/dbraw/zinc/14/83/61/328148361.db2.gz UYKXLXXKKKDVFO-GFCCVEGCSA-N 1 2 350.293 2.206 20 5 FEBDLO Cc1cc(C[NH+]2CCN([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)on1 ZINC000022252772 324398237 /nfs/dbraw/zinc/39/82/37/324398237.db2.gz DFWAHLMCAPBQDK-AWEZNQCLSA-N 1 2 373.413 2.036 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000091077160 325372794 /nfs/dbraw/zinc/37/27/94/325372794.db2.gz RCYHLOCRBCOXKW-UHFFFAOYSA-N 1 2 369.425 2.055 20 5 FEBDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000115388500 325955256 /nfs/dbraw/zinc/95/52/56/325955256.db2.gz HJSRCLQDDLXZJE-UHFFFAOYSA-N 1 2 371.441 2.212 20 5 FEBDLO Cc1cc(C(=O)N2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)c(C)o1 ZINC000137003788 326657157 /nfs/dbraw/zinc/65/71/57/326657157.db2.gz PYTYMQFAUXMJCO-GOSISDBHSA-N 1 2 373.409 2.296 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151131686 326675486 /nfs/dbraw/zinc/67/54/86/326675486.db2.gz VDPIXNZCZQLJJU-OAHLLOKOSA-N 1 2 363.395 2.140 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000153115210 326724448 /nfs/dbraw/zinc/72/44/48/326724448.db2.gz LSPNWBRMQJLZAQ-UHFFFAOYSA-N 1 2 374.441 2.319 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000156909234 326848101 /nfs/dbraw/zinc/84/81/01/326848101.db2.gz BKSDKYVODFLISB-UHFFFAOYSA-N 1 2 371.397 2.348 20 5 FEBDLO CCc1n[nH]c(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)c1[N+](=O)[O-] ZINC000171368317 327135153 /nfs/dbraw/zinc/13/51/53/327135153.db2.gz HWRRJXFYVFEBJF-UHFFFAOYSA-N 1 2 357.414 2.147 20 5 FEBDLO CCc1[nH]nc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)c1[N+](=O)[O-] ZINC000171368317 327135154 /nfs/dbraw/zinc/13/51/54/327135154.db2.gz HWRRJXFYVFEBJF-UHFFFAOYSA-N 1 2 357.414 2.147 20 5 FEBDLO Cc1cc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000172015138 327175988 /nfs/dbraw/zinc/17/59/88/327175988.db2.gz JICMKDPDCNJVDY-AWEZNQCLSA-N 1 2 353.400 2.077 20 5 FEBDLO CCc1n[nH]c(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)c1[N+](=O)[O-] ZINC000172084485 327180312 /nfs/dbraw/zinc/18/03/12/327180312.db2.gz RQNVXZPXIXBCPK-LBPRGKRZSA-N 1 2 367.356 2.191 20 5 FEBDLO COC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccco1 ZINC000173752284 327281368 /nfs/dbraw/zinc/28/13/68/327281368.db2.gz IJCMEDXSCZXVNK-CYBMUJFWSA-N 1 2 356.338 2.491 20 5 FEBDLO COc1cccc([C@@H](C)N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000174847007 327354971 /nfs/dbraw/zinc/35/49/71/327354971.db2.gz NQVRLSOOABJALK-OAHLLOKOSA-N 1 2 359.430 2.179 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177727172 327540567 /nfs/dbraw/zinc/54/05/67/327540567.db2.gz QEFTVBXZZFXLCU-UHFFFAOYSA-N 1 2 360.395 2.283 20 5 FEBDLO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1c(F)cccc1F ZINC000265180139 329099508 /nfs/dbraw/zinc/09/95/08/329099508.db2.gz ISNHOASIDVHIKG-CYBMUJFWSA-N 1 2 365.340 2.082 20 5 FEBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000265335459 329115945 /nfs/dbraw/zinc/11/59/45/329115945.db2.gz UNYGPUSEABPQSR-HNNXBMFYSA-N 1 2 354.410 2.438 20 5 FEBDLO CN(C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000266904506 329271291 /nfs/dbraw/zinc/27/12/91/329271291.db2.gz JINMTZIQCDEGTO-UHFFFAOYSA-N 1 2 361.851 2.104 20 5 FEBDLO Cn1c2ccc(NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)cc2[nH+]c1C1CC1 ZINC000270486002 329604659 /nfs/dbraw/zinc/60/46/59/329604659.db2.gz BZKZDLXCYCMJEE-UHFFFAOYSA-N 1 2 367.365 2.159 20 5 FEBDLO O=C(NCCCCNc1cccc[nH+]1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272299650 329768059 /nfs/dbraw/zinc/76/80/59/329768059.db2.gz LCSXOSKXRUIIKH-UHFFFAOYSA-N 1 2 358.354 2.341 20 5 FEBDLO COc1ccccc1C[NH+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272482897 329784823 /nfs/dbraw/zinc/78/48/23/329784823.db2.gz GDSKRUPCNGQHSL-UHFFFAOYSA-N 1 2 371.393 2.267 20 5 FEBDLO C[C@H](c1nccs1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000274296382 329935699 /nfs/dbraw/zinc/93/56/99/329935699.db2.gz MHZJAPQLNCVYOT-SNVBAGLBSA-N 1 2 360.399 2.471 20 5 FEBDLO Cc1sc(C(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cc1[N+](=O)[O-] ZINC000276247311 330133257 /nfs/dbraw/zinc/13/32/57/330133257.db2.gz LBXAIMOTXHRLDM-GXFFZTMASA-N 1 2 350.400 2.348 20 5 FEBDLO O=C(CC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411385937 330256629 /nfs/dbraw/zinc/25/66/29/330256629.db2.gz JFTWUQVKRWAXOA-SFHVURJKSA-N 1 2 368.393 2.097 20 5 FEBDLO O=C(CC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411385937 330256631 /nfs/dbraw/zinc/25/66/31/330256631.db2.gz JFTWUQVKRWAXOA-SFHVURJKSA-N 1 2 368.393 2.097 20 5 FEBDLO CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCOCC1 ZINC000414049449 330257593 /nfs/dbraw/zinc/25/75/93/330257593.db2.gz HVIHHFWYDLDZIL-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3c[nH]nc3[N+](=O)[O-])n2)C1 ZINC000555723871 674373737 /nfs/dbraw/zinc/37/37/37/674373737.db2.gz YPHYORHNKCMDTL-VIFPVBQESA-N 1 2 350.404 2.259 20 5 FEBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3c[nH]nc3[N+](=O)[O-])n2)C1 ZINC000555723871 674373738 /nfs/dbraw/zinc/37/37/38/674373738.db2.gz YPHYORHNKCMDTL-VIFPVBQESA-N 1 2 350.404 2.259 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C2 ZINC000156478186 545629307 /nfs/dbraw/zinc/62/93/07/545629307.db2.gz XNDISBZINMKIGN-LLVKDONJSA-N 1 2 359.342 2.061 20 5 FEBDLO COC(=O)c1cnc(Nc2cccc(C[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000478281006 561163530 /nfs/dbraw/zinc/16/35/30/561163530.db2.gz NSQZVWIZUMZHJH-UHFFFAOYSA-N 1 2 372.381 2.352 20 5 FEBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000159350600 545945795 /nfs/dbraw/zinc/94/57/95/545945795.db2.gz KVIJCEBAZGRBDA-WBVHZDCISA-N 1 2 362.382 2.391 20 5 FEBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000159350600 545945798 /nfs/dbraw/zinc/94/57/98/545945798.db2.gz KVIJCEBAZGRBDA-WBVHZDCISA-N 1 2 362.382 2.391 20 5 FEBDLO C[C@H]1CN(c2ccc(CNC(=O)Cc3cccc([N+](=O)[O-])c3)c[nH+]2)CCO1 ZINC000172803628 546267549 /nfs/dbraw/zinc/26/75/49/546267549.db2.gz XTSMPTHPDOJRBV-AWEZNQCLSA-N 1 2 370.409 2.074 20 5 FEBDLO Cc1nc(N2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3C)CC2)cc[nH+]1 ZINC000480061549 561202262 /nfs/dbraw/zinc/20/22/62/561202262.db2.gz MHIUJTBRTITDOE-UHFFFAOYSA-N 1 2 370.413 2.033 20 5 FEBDLO Cc1c(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000480064558 561202340 /nfs/dbraw/zinc/20/23/40/561202340.db2.gz XAJPFVACAFMMGP-UHFFFAOYSA-N 1 2 369.425 2.326 20 5 FEBDLO Cc1c(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000480072934 561202544 /nfs/dbraw/zinc/20/25/44/561202544.db2.gz MEEYZNNOEZAWBL-UHFFFAOYSA-N 1 2 369.425 2.326 20 5 FEBDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000176665045 546474027 /nfs/dbraw/zinc/47/40/27/546474027.db2.gz MLOPJNWPEZDMIJ-UHFFFAOYSA-N 1 2 373.356 2.271 20 5 FEBDLO CCOC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000176665045 546474029 /nfs/dbraw/zinc/47/40/29/546474029.db2.gz MLOPJNWPEZDMIJ-UHFFFAOYSA-N 1 2 373.356 2.271 20 5 FEBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])NCc1ccn2cc[nH+]c2c1 ZINC000177584045 546649156 /nfs/dbraw/zinc/64/91/56/546649156.db2.gz WIYAJELPMZCNMW-UHFFFAOYSA-N 1 2 354.370 2.154 20 5 FEBDLO C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000481205784 561227882 /nfs/dbraw/zinc/22/78/82/561227882.db2.gz XIEGVHQDQBLRGR-DZGCQCFKSA-N 1 2 350.325 2.376 20 5 FEBDLO C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000481205784 561227883 /nfs/dbraw/zinc/22/78/83/561227883.db2.gz XIEGVHQDQBLRGR-DZGCQCFKSA-N 1 2 350.325 2.376 20 5 FEBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc([N+](=O)[O-])nn3C)n2)C1 ZINC000481509905 561234545 /nfs/dbraw/zinc/23/45/45/561234545.db2.gz SNJXKKPVEWVRAN-SNVBAGLBSA-N 1 2 364.431 2.269 20 5 FEBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc([N+](=O)[O-])nn3C)n2)C1 ZINC000481509905 561234546 /nfs/dbraw/zinc/23/45/46/561234546.db2.gz SNJXKKPVEWVRAN-SNVBAGLBSA-N 1 2 364.431 2.269 20 5 FEBDLO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000179313541 546929810 /nfs/dbraw/zinc/92/98/10/546929810.db2.gz SSVADAWEFBHZCV-UHFFFAOYSA-N 1 2 362.817 2.232 20 5 FEBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000179658547 546993059 /nfs/dbraw/zinc/99/30/59/546993059.db2.gz RTDZIBHISQBMDK-UHFFFAOYSA-N 1 2 362.349 2.358 20 5 FEBDLO Cc1ccc([C@H]2C[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000182254619 547461215 /nfs/dbraw/zinc/46/12/15/547461215.db2.gz UGRHGMSFECVNKB-KBXCAEBGSA-N 1 2 362.382 2.309 20 5 FEBDLO Cc1ccc([C@H]2C[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000182254619 547461219 /nfs/dbraw/zinc/46/12/19/547461219.db2.gz UGRHGMSFECVNKB-KBXCAEBGSA-N 1 2 362.382 2.309 20 5 FEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1 ZINC000182298175 547469056 /nfs/dbraw/zinc/46/90/56/547469056.db2.gz AWQSETIQYFTAOU-QGZVFWFLSA-N 1 2 367.471 2.421 20 5 FEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1 ZINC000182298175 547469060 /nfs/dbraw/zinc/46/90/60/547469060.db2.gz AWQSETIQYFTAOU-QGZVFWFLSA-N 1 2 367.471 2.421 20 5 FEBDLO CC(C)(C)OC(=O)CNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000182303048 547469541 /nfs/dbraw/zinc/46/95/41/547469541.db2.gz LLIVCDZZMPRZOU-UHFFFAOYSA-N 1 2 363.414 2.017 20 5 FEBDLO CC(C)(C)OC(=O)CNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000182303048 547469546 /nfs/dbraw/zinc/46/95/46/547469546.db2.gz LLIVCDZZMPRZOU-UHFFFAOYSA-N 1 2 363.414 2.017 20 5 FEBDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000484285978 561295454 /nfs/dbraw/zinc/29/54/54/561295454.db2.gz ADVOFRHGJSLWEY-HUUCEWRRSA-N 1 2 369.425 2.290 20 5 FEBDLO CCO[C@@H]1C[C@@H](Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1OC ZINC000486013616 561335197 /nfs/dbraw/zinc/33/51/97/561335197.db2.gz DSQOYNXZQRMXOC-INMHGKMJSA-N 1 2 358.398 2.386 20 5 FEBDLO Cc1cc(C[NH+]2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)on1 ZINC000486441802 561347179 /nfs/dbraw/zinc/34/71/79/561347179.db2.gz LHFVTAYPLBXDFD-UHFFFAOYSA-N 1 2 370.369 2.263 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000194792421 548531831 /nfs/dbraw/zinc/53/18/31/548531831.db2.gz BEOHCCPAXMOPSB-UHFFFAOYSA-N 1 2 356.382 2.065 20 5 FEBDLO Cc1ccc([C@H]2C[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000246482152 549142787 /nfs/dbraw/zinc/14/27/87/549142787.db2.gz JSYZJGLNLKXWIR-CRAIPNDOSA-N 1 2 362.382 2.309 20 5 FEBDLO Cc1ccc([C@H]2C[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000246482152 549142792 /nfs/dbraw/zinc/14/27/92/549142792.db2.gz JSYZJGLNLKXWIR-CRAIPNDOSA-N 1 2 362.382 2.309 20 5 FEBDLO O=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000247320237 549318135 /nfs/dbraw/zinc/31/81/35/549318135.db2.gz LMBVTEBRBYEVFX-UHFFFAOYSA-N 1 2 367.247 2.170 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000248448368 549440176 /nfs/dbraw/zinc/44/01/76/549440176.db2.gz HSMCAPJDWXURBG-QZTJIDSGSA-N 1 2 372.421 2.278 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000248448368 549440179 /nfs/dbraw/zinc/44/01/79/549440179.db2.gz HSMCAPJDWXURBG-QZTJIDSGSA-N 1 2 372.421 2.278 20 5 FEBDLO COCC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCO[C@H]1C ZINC000489490177 561412618 /nfs/dbraw/zinc/41/26/18/561412618.db2.gz YGFWMCHINNSWPH-SWLSCSKDSA-N 1 2 362.386 2.271 20 5 FEBDLO COCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCO[C@H]1C ZINC000489490177 561412619 /nfs/dbraw/zinc/41/26/19/561412619.db2.gz YGFWMCHINNSWPH-SWLSCSKDSA-N 1 2 362.386 2.271 20 5 FEBDLO COC(=O)[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269654219 550214442 /nfs/dbraw/zinc/21/44/42/550214442.db2.gz NXPHXXUTVLKMHG-ZWKOTPCHSA-N 1 2 356.378 2.401 20 5 FEBDLO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269654219 550214444 /nfs/dbraw/zinc/21/44/44/550214444.db2.gz NXPHXXUTVLKMHG-ZWKOTPCHSA-N 1 2 356.378 2.401 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)NCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000493541308 561456577 /nfs/dbraw/zinc/45/65/77/561456577.db2.gz FHNNYUUNLDKRCT-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC(=O)OC(C)(C)C ZINC000270697886 550298221 /nfs/dbraw/zinc/29/82/21/550298221.db2.gz DTYGEOUBTIGDEX-UHFFFAOYSA-N 1 2 367.402 2.206 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000270697886 550298223 /nfs/dbraw/zinc/29/82/23/550298223.db2.gz DTYGEOUBTIGDEX-UHFFFAOYSA-N 1 2 367.402 2.206 20 5 FEBDLO CCOC(=O)N1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000271203750 550352392 /nfs/dbraw/zinc/35/23/92/550352392.db2.gz RHZIWOVQQRDKRW-UHFFFAOYSA-N 1 2 367.402 2.276 20 5 FEBDLO CCOC(=O)N1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000271203750 550352393 /nfs/dbraw/zinc/35/23/93/550352393.db2.gz RHZIWOVQQRDKRW-UHFFFAOYSA-N 1 2 367.402 2.276 20 5 FEBDLO CC(C)N1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000272568411 550458535 /nfs/dbraw/zinc/45/85/35/550458535.db2.gz VKOAIDACVZXUMG-UHFFFAOYSA-N 1 2 357.414 2.048 20 5 FEBDLO CC(C)N1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000272568411 550458536 /nfs/dbraw/zinc/45/85/36/550458536.db2.gz VKOAIDACVZXUMG-UHFFFAOYSA-N 1 2 357.414 2.048 20 5 FEBDLO COc1cc(C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)ccc1[N+](=O)[O-] ZINC000494633984 561472980 /nfs/dbraw/zinc/47/29/80/561472980.db2.gz BLYRYFBBNJHWQU-ZDUSSCGKSA-N 1 2 373.373 2.258 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1F ZINC000277407836 550666793 /nfs/dbraw/zinc/66/67/93/550666793.db2.gz LLWXYKKMIILNGX-HNNXBMFYSA-N 1 2 353.394 2.129 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C/C=C/c2ccncc2)CC1 ZINC000494939448 561479531 /nfs/dbraw/zinc/47/95/31/561479531.db2.gz RCKSFLAKNPBSAC-OWOJBTEDSA-N 1 2 352.394 2.461 20 5 FEBDLO C[C@@H](c1cccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c1)[NH+]1CCOCC1 ZINC000277757951 550710766 /nfs/dbraw/zinc/71/07/66/550710766.db2.gz QWSGCDWDLPXMAY-LBPRGKRZSA-N 1 2 372.381 2.341 20 5 FEBDLO O=C(NCCn1cc[nH+]c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278647029 550807766 /nfs/dbraw/zinc/80/77/66/550807766.db2.gz ZWPAJYKZHWPAPC-UHFFFAOYSA-N 1 2 357.292 2.310 20 5 FEBDLO CCc1n[nH]c(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)c1[N+](=O)[O-] ZINC000278797955 550823128 /nfs/dbraw/zinc/82/31/28/550823128.db2.gz YKTAWUCARBYODS-UHFFFAOYSA-N 1 2 359.386 2.267 20 5 FEBDLO CCc1[nH]nc(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)c1[N+](=O)[O-] ZINC000278797955 550823129 /nfs/dbraw/zinc/82/31/29/550823129.db2.gz YKTAWUCARBYODS-UHFFFAOYSA-N 1 2 359.386 2.267 20 5 FEBDLO CCN1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1=O ZINC000495207095 561484433 /nfs/dbraw/zinc/48/44/33/561484433.db2.gz XJSOQMOUWMTJOJ-CYBMUJFWSA-N 1 2 358.398 2.345 20 5 FEBDLO CCN1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1=O ZINC000495207095 561484434 /nfs/dbraw/zinc/48/44/34/561484434.db2.gz XJSOQMOUWMTJOJ-CYBMUJFWSA-N 1 2 358.398 2.345 20 5 FEBDLO O=C(NCC1(CO)CC2(CCC2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000279048433 550850614 /nfs/dbraw/zinc/85/06/14/550850614.db2.gz DIKZYIPOPQFISP-UHFFFAOYSA-N 1 2 370.409 2.453 20 5 FEBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000279288067 550873837 /nfs/dbraw/zinc/87/38/37/550873837.db2.gz XRUJMYKLDVOMSF-UHFFFAOYSA-N 1 2 359.361 2.241 20 5 FEBDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000279748495 550924564 /nfs/dbraw/zinc/92/45/64/550924564.db2.gz CCORJIJPGYGPJU-UHFFFAOYSA-N 1 2 368.397 2.464 20 5 FEBDLO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000495475728 561488794 /nfs/dbraw/zinc/48/87/94/561488794.db2.gz KYBYLJMEYLWNAF-QGZVFWFLSA-N 1 2 357.410 2.405 20 5 FEBDLO Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000495475728 561488795 /nfs/dbraw/zinc/48/87/95/561488795.db2.gz KYBYLJMEYLWNAF-QGZVFWFLSA-N 1 2 357.410 2.405 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279982627 550949530 /nfs/dbraw/zinc/94/95/30/550949530.db2.gz ZPAYGADGGDFEOL-KBPBESRZSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279982627 550949531 /nfs/dbraw/zinc/94/95/31/550949531.db2.gz ZPAYGADGGDFEOL-KBPBESRZSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280566541 551008239 /nfs/dbraw/zinc/00/82/39/551008239.db2.gz RPQJHFRUGJHBLD-ACJLOTCBSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280566541 551008240 /nfs/dbraw/zinc/00/82/40/551008240.db2.gz RPQJHFRUGJHBLD-ACJLOTCBSA-N 1 2 363.414 2.192 20 5 FEBDLO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280795141 551033398 /nfs/dbraw/zinc/03/33/98/551033398.db2.gz OUKXVTXOMWOLLZ-UHFFFAOYSA-N 1 2 356.382 2.090 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](CCCO)Cc3ccccn3)n2)cc1 ZINC000281115018 551065041 /nfs/dbraw/zinc/06/50/41/551065041.db2.gz XCNAIRPYYNMZJL-UHFFFAOYSA-N 1 2 369.381 2.424 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](CCCO)Cc3ccccn3)n2)cc1 ZINC000281115018 551065044 /nfs/dbraw/zinc/06/50/44/551065044.db2.gz XCNAIRPYYNMZJL-UHFFFAOYSA-N 1 2 369.381 2.424 20 5 FEBDLO Cc1nn(C)c(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000282256964 551202202 /nfs/dbraw/zinc/20/22/02/551202202.db2.gz JHXRKVZDGDZQLX-CYBMUJFWSA-N 1 2 372.429 2.189 20 5 FEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000497993700 561513365 /nfs/dbraw/zinc/51/33/65/561513365.db2.gz PGXZSXFRQJXFGW-ZIAGYGMSSA-N 1 2 355.460 2.315 20 5 FEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000497993700 561513366 /nfs/dbraw/zinc/51/33/66/561513366.db2.gz PGXZSXFRQJXFGW-ZIAGYGMSSA-N 1 2 355.460 2.315 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000284985479 551683904 /nfs/dbraw/zinc/68/39/04/551683904.db2.gz AEYLYZWWCAGFAL-UHFFFAOYSA-N 1 2 363.805 2.319 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000284985479 551683905 /nfs/dbraw/zinc/68/39/05/551683905.db2.gz AEYLYZWWCAGFAL-UHFFFAOYSA-N 1 2 363.805 2.319 20 5 FEBDLO Cc1noc([C@@H]2CCCC[N@@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000285501200 551765786 /nfs/dbraw/zinc/76/57/86/551765786.db2.gz CRDMJFJLDYXUAZ-ZBFHGGJFSA-N 1 2 362.386 2.253 20 5 FEBDLO Cc1noc([C@@H]2CCCC[N@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000285501200 551765788 /nfs/dbraw/zinc/76/57/88/551765788.db2.gz CRDMJFJLDYXUAZ-ZBFHGGJFSA-N 1 2 362.386 2.253 20 5 FEBDLO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nncn1C ZINC000285502377 551766277 /nfs/dbraw/zinc/76/62/77/551766277.db2.gz XRVLWZKAAVVIMT-AWEZNQCLSA-N 1 2 366.809 2.302 20 5 FEBDLO CSc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285592122 551779624 /nfs/dbraw/zinc/77/96/24/551779624.db2.gz BHINOFJHKNVHDN-TZMCWYRMSA-N 1 2 365.455 2.252 20 5 FEBDLO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccccn1 ZINC000286702483 551916578 /nfs/dbraw/zinc/91/65/78/551916578.db2.gz ADHXVANJNIVSAK-UHFFFAOYSA-N 1 2 374.397 2.086 20 5 FEBDLO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccccn1 ZINC000286702483 551916580 /nfs/dbraw/zinc/91/65/80/551916580.db2.gz ADHXVANJNIVSAK-UHFFFAOYSA-N 1 2 374.397 2.086 20 5 FEBDLO COC(=O)c1cc(C)nc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000287849547 552054711 /nfs/dbraw/zinc/05/47/11/552054711.db2.gz MGRKQCUYIOTWGI-FZMZJTMJSA-N 1 2 359.386 2.369 20 5 FEBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000499663881 561555676 /nfs/dbraw/zinc/55/56/76/561555676.db2.gz ZMZXMHDKMHXTLT-UHFFFAOYSA-N 1 2 371.422 2.491 20 5 FEBDLO C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000289882482 552393910 /nfs/dbraw/zinc/39/39/10/552393910.db2.gz ZSNSFRZDOCOSBX-QWRGUYRKSA-N 1 2 356.810 2.479 20 5 FEBDLO Cc1cc[nH+]cc1N1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000500688632 561579445 /nfs/dbraw/zinc/57/94/45/561579445.db2.gz PTTNJINJJPTKBH-UHFFFAOYSA-N 1 2 356.382 2.026 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC(F)(F)[C@@H](CO)C3)n2)c1 ZINC000291696314 552652279 /nfs/dbraw/zinc/65/22/79/552652279.db2.gz HSTSMUQDCQZNSM-LLVKDONJSA-N 1 2 354.313 2.094 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC(F)(F)[C@@H](CO)C3)n2)c1 ZINC000291696314 552652280 /nfs/dbraw/zinc/65/22/80/552652280.db2.gz HSTSMUQDCQZNSM-LLVKDONJSA-N 1 2 354.313 2.094 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000293260944 552804635 /nfs/dbraw/zinc/80/46/35/552804635.db2.gz UKGRRWKXWNBPKT-INIZCTEOSA-N 1 2 351.403 2.289 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000293260944 552804637 /nfs/dbraw/zinc/80/46/37/552804637.db2.gz UKGRRWKXWNBPKT-INIZCTEOSA-N 1 2 351.403 2.289 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293615792 552840610 /nfs/dbraw/zinc/84/06/10/552840610.db2.gz VWXLTQYSLLXTEQ-SNVBAGLBSA-N 1 2 361.320 2.064 20 5 FEBDLO Cc1ccc(NC(=O)C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000296131646 553109863 /nfs/dbraw/zinc/10/98/63/553109863.db2.gz MXHKSPOWYJPKJW-CQSZACIVSA-N 1 2 371.397 2.185 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])CCC2 ZINC000502533370 561620439 /nfs/dbraw/zinc/62/04/39/561620439.db2.gz YAOCKQKVPGYSFB-AWEZNQCLSA-N 1 2 372.429 2.388 20 5 FEBDLO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000296713877 553201685 /nfs/dbraw/zinc/20/16/85/553201685.db2.gz NGIGTHMFYUIOPI-CANCMXDXSA-N 1 2 368.455 2.432 20 5 FEBDLO Cc1cc(NCCNC(=O)c2cccc(O)c2[N+](=O)[O-])nc(C(C)C)[nH+]1 ZINC000600363971 553256904 /nfs/dbraw/zinc/25/69/04/553256904.db2.gz DMKBKIZYTBLPDT-UHFFFAOYSA-N 1 2 359.386 2.364 20 5 FEBDLO O=C1Nc2ccccc2CC[C@H]1[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298080492 553381446 /nfs/dbraw/zinc/38/14/46/553381446.db2.gz LUOQNVLNFBVYQA-QGZVFWFLSA-N 1 2 367.409 2.065 20 5 FEBDLO CC(=O)Nc1cccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000298140447 553389395 /nfs/dbraw/zinc/38/93/95/553389395.db2.gz QRWOJXOUPIIBFP-UHFFFAOYSA-N 1 2 355.398 2.270 20 5 FEBDLO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000299409977 553559487 /nfs/dbraw/zinc/55/94/87/553559487.db2.gz VVAIRSCVGLCOQC-WBMJQRKESA-N 1 2 371.397 2.148 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CCCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301061447 553618440 /nfs/dbraw/zinc/61/84/40/553618440.db2.gz BGJIEVSADYHBKS-UHFFFAOYSA-N 1 2 354.370 2.249 20 5 FEBDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000301087638 553620724 /nfs/dbraw/zinc/62/07/24/553620724.db2.gz NGDBSFWDTHOPBI-CVEARBPZSA-N 1 2 360.458 2.412 20 5 FEBDLO Cc1cc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)ccc1[N+](=O)[O-] ZINC000301410327 553649703 /nfs/dbraw/zinc/64/97/03/553649703.db2.gz ORMSYUGGPMFZKU-GOSISDBHSA-N 1 2 362.474 2.134 20 5 FEBDLO Cc1cccc2[nH+]c(CNc3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)cn21 ZINC000301610250 553665536 /nfs/dbraw/zinc/66/55/36/553665536.db2.gz CDWFNZPULGDPGZ-UHFFFAOYSA-N 1 2 353.338 2.494 20 5 FEBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)c1 ZINC000505513992 561672715 /nfs/dbraw/zinc/67/27/15/561672715.db2.gz PVQNHULHVMFPSE-ZDUSSCGKSA-N 1 2 358.398 2.451 20 5 FEBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)c1 ZINC000505513991 561672727 /nfs/dbraw/zinc/67/27/27/561672727.db2.gz PVQNHULHVMFPSE-CYBMUJFWSA-N 1 2 358.398 2.451 20 5 FEBDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000331598801 554291901 /nfs/dbraw/zinc/29/19/01/554291901.db2.gz QHSYWGDVGICSCA-PMUMKWKESA-N 1 2 363.414 2.192 20 5 FEBDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000331598801 554291902 /nfs/dbraw/zinc/29/19/02/554291902.db2.gz QHSYWGDVGICSCA-PMUMKWKESA-N 1 2 363.414 2.192 20 5 FEBDLO C[N@@H+]1CCO[C@@H]2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000332542707 554468197 /nfs/dbraw/zinc/46/81/97/554468197.db2.gz YTSSOTMTVZWSIV-LSDHHAIUSA-N 1 2 370.247 2.262 20 5 FEBDLO C[N@H+]1CCO[C@@H]2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000332542707 554468198 /nfs/dbraw/zinc/46/81/98/554468198.db2.gz YTSSOTMTVZWSIV-LSDHHAIUSA-N 1 2 370.247 2.262 20 5 FEBDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C2 ZINC000332610977 554483348 /nfs/dbraw/zinc/48/33/48/554483348.db2.gz FSKUUVMETPLDOC-NSHDSACASA-N 1 2 357.414 2.416 20 5 FEBDLO CCCC(=O)N1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000363433489 555104469 /nfs/dbraw/zinc/10/44/69/555104469.db2.gz BLJMGEVDJSJORT-UHFFFAOYSA-N 1 2 363.414 2.296 20 5 FEBDLO CCCC(=O)N1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000363433489 555104468 /nfs/dbraw/zinc/10/44/68/555104468.db2.gz BLJMGEVDJSJORT-UHFFFAOYSA-N 1 2 363.414 2.296 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000363433131 555104787 /nfs/dbraw/zinc/10/47/87/555104787.db2.gz VQUHJZVCNPOQRO-CYBMUJFWSA-N 1 2 366.381 2.144 20 5 FEBDLO CN(C(=O)C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000363675747 555161548 /nfs/dbraw/zinc/16/15/48/555161548.db2.gz BVKKWPHJBIOKEQ-KRWDZBQOSA-N 1 2 374.441 2.035 20 5 FEBDLO CN(C(=O)C[N@H+]1CCCC[C@H]1C(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000363675747 555161551 /nfs/dbraw/zinc/16/15/51/555161551.db2.gz BVKKWPHJBIOKEQ-KRWDZBQOSA-N 1 2 374.441 2.035 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cccc(-n4cc[nH+]c4)n3)C2)nc1 ZINC000365402462 555565584 /nfs/dbraw/zinc/56/55/84/555565584.db2.gz BRZHDUGQAKEJEV-CYBMUJFWSA-N 1 2 351.370 2.261 20 5 FEBDLO CN(CC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1[N+](=O)[O-] ZINC000365525146 555598976 /nfs/dbraw/zinc/59/89/76/555598976.db2.gz VFWYUDVAYGNLHI-AWEZNQCLSA-N 1 2 357.414 2.171 20 5 FEBDLO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1)c1ccc[nH]1 ZINC000365819619 555674689 /nfs/dbraw/zinc/67/46/89/555674689.db2.gz JQXUFLHUJIQBTN-UHFFFAOYSA-N 1 2 373.369 2.226 20 5 FEBDLO Cc1cc(C2=CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)CC2)cc([N+](=O)[O-])c1N ZINC000365887004 555693181 /nfs/dbraw/zinc/69/31/81/555693181.db2.gz UOZJIYSWVOVJCN-UHFFFAOYSA-N 1 2 372.385 2.416 20 5 FEBDLO Cc1cc(C2=CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)CC2)cc([N+](=O)[O-])c1N ZINC000365887004 555693182 /nfs/dbraw/zinc/69/31/82/555693182.db2.gz UOZJIYSWVOVJCN-UHFFFAOYSA-N 1 2 372.385 2.416 20 5 FEBDLO Cn1ccnc1[C@@H]([NH2+]CCNC(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000513703391 561947177 /nfs/dbraw/zinc/94/71/77/561947177.db2.gz VDQNVVLWGBOKKB-INIZCTEOSA-N 1 2 369.381 2.030 20 5 FEBDLO CC[C@H](NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000366267370 555797333 /nfs/dbraw/zinc/79/73/33/555797333.db2.gz IHEOBJFPULNAGJ-SJORKVTESA-N 1 2 362.430 2.208 20 5 FEBDLO CC[C@H](NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000366267370 555797335 /nfs/dbraw/zinc/79/73/35/555797335.db2.gz IHEOBJFPULNAGJ-SJORKVTESA-N 1 2 362.430 2.208 20 5 FEBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000366477510 555855395 /nfs/dbraw/zinc/85/53/95/555855395.db2.gz NUSRYVQOUOPZEL-UGSOOPFHSA-N 1 2 366.414 2.382 20 5 FEBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000366477510 555855396 /nfs/dbraw/zinc/85/53/96/555855396.db2.gz NUSRYVQOUOPZEL-UGSOOPFHSA-N 1 2 366.414 2.382 20 5 FEBDLO COCCO[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000514070350 561959417 /nfs/dbraw/zinc/95/94/17/561959417.db2.gz UGQGCTSDGLQSQX-HNNXBMFYSA-N 1 2 374.397 2.048 20 5 FEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)COCc1cccs1)CCO2 ZINC000514636170 561970995 /nfs/dbraw/zinc/97/09/95/561970995.db2.gz PWSGRWWWJYUXJI-OAHLLOKOSA-N 1 2 364.423 2.428 20 5 FEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)COCc1cccs1)CCO2 ZINC000514636170 561970996 /nfs/dbraw/zinc/97/09/96/561970996.db2.gz PWSGRWWWJYUXJI-OAHLLOKOSA-N 1 2 364.423 2.428 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC(O)(c2ccccc2)C1 ZINC000367528845 556074352 /nfs/dbraw/zinc/07/43/52/556074352.db2.gz YBABOIRSGLUGIV-UHFFFAOYSA-N 1 2 371.393 2.135 20 5 FEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000368148818 556230355 /nfs/dbraw/zinc/23/03/55/556230355.db2.gz PWLDECQXOBQLNB-AEFFLSMTSA-N 1 2 361.442 2.097 20 5 FEBDLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000368187323 556242800 /nfs/dbraw/zinc/24/28/00/556242800.db2.gz FHZMVJJFXWNFEB-ROUUACIJSA-N 1 2 355.394 2.110 20 5 FEBDLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000368187323 556242803 /nfs/dbraw/zinc/24/28/03/556242803.db2.gz FHZMVJJFXWNFEB-ROUUACIJSA-N 1 2 355.394 2.110 20 5 FEBDLO COc1cc(CNc2ccc(-c3cncnc3)c[nH+]2)cc([N+](=O)[O-])c1O ZINC000369152888 556518199 /nfs/dbraw/zinc/51/81/99/556518199.db2.gz OYJDVHDPROCIFW-UHFFFAOYSA-N 1 2 353.338 2.773 20 5 FEBDLO Cn1c(Cl)cnc1C[N@@H+]1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000369205739 556535697 /nfs/dbraw/zinc/53/56/97/556535697.db2.gz KUBOSRCUODBULP-UHFFFAOYSA-N 1 2 364.837 2.276 20 5 FEBDLO Cn1c(Cl)cnc1C[N@H+]1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000369205739 556535698 /nfs/dbraw/zinc/53/56/98/556535698.db2.gz KUBOSRCUODBULP-UHFFFAOYSA-N 1 2 364.837 2.276 20 5 FEBDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000369597369 556642828 /nfs/dbraw/zinc/64/28/28/556642828.db2.gz ZGWODQXHJXXQPQ-WAVCKPEOSA-N 1 2 367.409 2.131 20 5 FEBDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000369597369 556642829 /nfs/dbraw/zinc/64/28/29/556642829.db2.gz ZGWODQXHJXXQPQ-WAVCKPEOSA-N 1 2 367.409 2.131 20 5 FEBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000370160682 556797877 /nfs/dbraw/zinc/79/78/77/556797877.db2.gz KTRZOXMPDBDVLY-ZZXKWVIFSA-N 1 2 365.455 2.108 20 5 FEBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000370160682 556797879 /nfs/dbraw/zinc/79/78/79/556797879.db2.gz KTRZOXMPDBDVLY-ZZXKWVIFSA-N 1 2 365.455 2.108 20 5 FEBDLO Cc1nnc([C@H]2CC23CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC3)o1 ZINC000370815678 556977080 /nfs/dbraw/zinc/97/70/80/556977080.db2.gz FYTHQRDAUDXQRV-CYBMUJFWSA-N 1 2 371.397 2.494 20 5 FEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCc3[nH]nc(C(F)(F)F)c3C2)c1 ZINC000370998467 557040458 /nfs/dbraw/zinc/04/04/58/557040458.db2.gz MDVSMXBRNYLDDR-ZDUSSCGKSA-N 1 2 356.304 2.428 20 5 FEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCc3[nH]nc(C(F)(F)F)c3C2)c1 ZINC000370998467 557040462 /nfs/dbraw/zinc/04/04/62/557040462.db2.gz MDVSMXBRNYLDDR-ZDUSSCGKSA-N 1 2 356.304 2.428 20 5 FEBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@@H]2C1 ZINC000371062219 557062696 /nfs/dbraw/zinc/06/26/96/557062696.db2.gz BEDKXGUMXKMRIZ-ZACQAIPSSA-N 1 2 364.398 2.230 20 5 FEBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@@H]2C1 ZINC000371062219 557062701 /nfs/dbraw/zinc/06/27/01/557062701.db2.gz BEDKXGUMXKMRIZ-ZACQAIPSSA-N 1 2 364.398 2.230 20 5 FEBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000371843144 557309475 /nfs/dbraw/zinc/30/94/75/557309475.db2.gz RMJCQCZGHFLRQX-QGZVFWFLSA-N 1 2 356.361 2.442 20 5 FEBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000371843144 557309481 /nfs/dbraw/zinc/30/94/81/557309481.db2.gz RMJCQCZGHFLRQX-QGZVFWFLSA-N 1 2 356.361 2.442 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000372301828 557434132 /nfs/dbraw/zinc/43/41/32/557434132.db2.gz LSAKVXOALQFKIC-LBPRGKRZSA-N 1 2 359.386 2.036 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)C2 ZINC000372549580 557500787 /nfs/dbraw/zinc/50/07/87/557500787.db2.gz CHLMUDXGNHOEIW-OAHLLOKOSA-N 1 2 369.425 2.445 20 5 FEBDLO C[C@H](C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000519757820 562142712 /nfs/dbraw/zinc/14/27/12/562142712.db2.gz QBZRZCREWPRZLS-NSHDSACASA-N 1 2 361.402 2.194 20 5 FEBDLO CN(Cc1cn2c([nH+]1)CCCC2)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000372989237 557604524 /nfs/dbraw/zinc/60/45/24/557604524.db2.gz ITYOEHAAUUJGAB-QGZVFWFLSA-N 1 2 369.425 2.365 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCO[C@]2(CCSC2)C1 ZINC000519823405 562145410 /nfs/dbraw/zinc/14/54/10/562145410.db2.gz SHOYWUHMDYUIBD-QGZVFWFLSA-N 1 2 374.422 2.129 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000373198137 557648047 /nfs/dbraw/zinc/64/80/47/557648047.db2.gz NCUKSVOYIPREOA-NSHDSACASA-N 1 2 350.325 2.436 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCOC[C@@H]2c2ccccc2)c1 ZINC000374119914 557826884 /nfs/dbraw/zinc/82/68/84/557826884.db2.gz NNWVAIXUFGSOMI-IEBWSBKVSA-N 1 2 358.394 2.408 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCOC[C@@H]2c2ccccc2)c1 ZINC000374119914 557826885 /nfs/dbraw/zinc/82/68/85/557826885.db2.gz NNWVAIXUFGSOMI-IEBWSBKVSA-N 1 2 358.394 2.408 20 5 FEBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374304655 557862240 /nfs/dbraw/zinc/86/22/40/557862240.db2.gz BDSLDLNCFFBJBU-LBPRGKRZSA-N 1 2 370.413 2.125 20 5 FEBDLO Cc1c(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000374340925 557868462 /nfs/dbraw/zinc/86/84/62/557868462.db2.gz MKOLBUIOHQQGDS-LLVKDONJSA-N 1 2 359.342 2.175 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)CCC2 ZINC000374433382 557883526 /nfs/dbraw/zinc/88/35/26/557883526.db2.gz ATJIOUIGXZKDMY-CYBMUJFWSA-N 1 2 364.427 2.264 20 5 FEBDLO Cc1cn2c([nH+]1)CN(C(=O)c1cc(=O)[nH]c3ccc([N+](=O)[O-])cc31)CC2 ZINC000374681499 557916216 /nfs/dbraw/zinc/91/62/16/557916216.db2.gz VFFRKWHJVYVEDU-UHFFFAOYSA-N 1 2 353.338 2.010 20 5 FEBDLO CN(C)c1ccc(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c[nH+]1 ZINC000521436832 562176480 /nfs/dbraw/zinc/17/64/80/562176480.db2.gz RXCIMBXASPGSEX-UHFFFAOYSA-N 1 2 366.381 2.172 20 5 FEBDLO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000377096422 558265109 /nfs/dbraw/zinc/26/51/09/558265109.db2.gz ARKTZLAHMNFFRB-UHFFFAOYSA-N 1 2 363.414 2.065 20 5 FEBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCn2c[nH+]cc2C1 ZINC000378112311 558483796 /nfs/dbraw/zinc/48/37/96/558483796.db2.gz UUEVVYHUYNDSAA-UHFFFAOYSA-N 1 2 351.160 2.210 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000378264259 558514773 /nfs/dbraw/zinc/51/47/73/558514773.db2.gz QTQUZIXBDQDUPX-JTQLQIEISA-N 1 2 370.818 2.160 20 5 FEBDLO CCOc1ccc(NC(=O)CN2CCC[C@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000378480117 558566698 /nfs/dbraw/zinc/56/66/98/558566698.db2.gz DXWSEJKFHOPNMT-AWEZNQCLSA-N 1 2 359.386 2.492 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378628302 558597242 /nfs/dbraw/zinc/59/72/42/558597242.db2.gz SHMGKFDBWGHYCI-SNVBAGLBSA-N 1 2 356.791 2.497 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000408181823 558654094 /nfs/dbraw/zinc/65/40/94/558654094.db2.gz GKWRPLWDUDYOJH-UONOGXRCSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000408181823 558654096 /nfs/dbraw/zinc/65/40/96/558654096.db2.gz GKWRPLWDUDYOJH-UONOGXRCSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1cc(C)c(NC(=O)C(=O)NCCNc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000411135278 558843168 /nfs/dbraw/zinc/84/31/68/558843168.db2.gz MMKDMZPHTTVKBH-UHFFFAOYSA-N 1 2 371.397 2.082 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000411526403 558911063 /nfs/dbraw/zinc/91/10/63/558911063.db2.gz DPAGBYGLBJHJKD-HNNXBMFYSA-N 1 2 371.397 2.151 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCCc2c(cnn2C)C1 ZINC000411837723 558973551 /nfs/dbraw/zinc/97/35/51/558973551.db2.gz ARTRVPIFCAJJLK-GFCCVEGCSA-N 1 2 373.413 2.112 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCCc2c(cnn2C)C1 ZINC000411837723 558973553 /nfs/dbraw/zinc/97/35/53/558973553.db2.gz ARTRVPIFCAJJLK-GFCCVEGCSA-N 1 2 373.413 2.112 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2csnn2)c([N+](=O)[O-])c1 ZINC000412039017 559005460 /nfs/dbraw/zinc/00/54/60/559005460.db2.gz KWGUAIPZHWPFMU-BDAKNGLRSA-N 1 2 351.388 2.133 20 5 FEBDLO CC(C)Oc1cc(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000412121141 559015578 /nfs/dbraw/zinc/01/55/78/559015578.db2.gz NXQLMIWJQOPJBL-UHFFFAOYSA-N 1 2 373.413 2.063 20 5 FEBDLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1ccc([N+](=O)[O-])cn1 ZINC000526954009 562270627 /nfs/dbraw/zinc/27/06/27/562270627.db2.gz BMGQDLXMWAUYLX-UHFFFAOYSA-N 1 2 360.801 2.431 20 5 FEBDLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)c1ccc([N+](=O)[O-])cn1 ZINC000526954009 562270628 /nfs/dbraw/zinc/27/06/28/562270628.db2.gz BMGQDLXMWAUYLX-UHFFFAOYSA-N 1 2 360.801 2.431 20 5 FEBDLO CC[C@H](C(=O)OC)[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413280093 559095071 /nfs/dbraw/zinc/09/50/71/559095071.db2.gz JWXGSKDTXLJZAD-MRXNPFEDSA-N 1 2 358.398 2.217 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413286491 559095717 /nfs/dbraw/zinc/09/57/17/559095717.db2.gz ZASUUKZWQGHXJC-JQWIXIFHSA-N 1 2 360.336 2.308 20 5 FEBDLO COc1cc(NCC2([NH+]3CCOCC3)CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000413409386 559105700 /nfs/dbraw/zinc/10/57/00/559105700.db2.gz UKRVIWNBABLTRF-UHFFFAOYSA-N 1 2 369.393 2.036 20 5 FEBDLO C[C@@H](C(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000413960657 559143477 /nfs/dbraw/zinc/14/34/77/559143477.db2.gz QOHNWHSLQRDRFV-GFCCVEGCSA-N 1 2 353.394 2.064 20 5 FEBDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000416495052 559317571 /nfs/dbraw/zinc/31/75/71/559317571.db2.gz KKQHHZNIUZVPTM-CQSZACIVSA-N 1 2 355.460 2.316 20 5 FEBDLO CC[C@H]1C[N@H+](CCNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000426037084 559728280 /nfs/dbraw/zinc/72/82/80/559728280.db2.gz QVQWIEZLLNRVQG-HOCLYGCPSA-N 1 2 364.446 2.374 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000426037084 559728281 /nfs/dbraw/zinc/72/82/81/559728281.db2.gz QVQWIEZLLNRVQG-HOCLYGCPSA-N 1 2 364.446 2.374 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)n1 ZINC000427505583 559757013 /nfs/dbraw/zinc/75/70/13/559757013.db2.gz JRUWWVBLFPNTNY-UHFFFAOYSA-N 1 2 358.402 2.127 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NC[C@H](O)C[NH+]1CCOCC1 ZINC000429200648 559793008 /nfs/dbraw/zinc/79/30/08/559793008.db2.gz ICBZSWOVIPIQTM-JTQLQIEISA-N 1 2 350.202 2.007 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CS(C)(=O)=O)c1ccccc1 ZINC000430212227 559815372 /nfs/dbraw/zinc/81/53/72/559815372.db2.gz LNPYJXVPFXUPOI-MRXNPFEDSA-N 1 2 364.423 2.479 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000430220859 559815576 /nfs/dbraw/zinc/81/55/76/559815576.db2.gz SHBDSHUSXSNNOD-GFCCVEGCSA-N 1 2 354.370 2.430 20 5 FEBDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000432881138 559867157 /nfs/dbraw/zinc/86/71/57/559867157.db2.gz QERQRAKRMQOGGC-MLGOLLRUSA-N 1 2 362.361 2.046 20 5 FEBDLO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434291810 559897334 /nfs/dbraw/zinc/89/73/34/559897334.db2.gz GXFULSRUKQZYAC-UHFFFAOYSA-N 1 2 372.381 2.038 20 5 FEBDLO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434291810 559897335 /nfs/dbraw/zinc/89/73/35/559897335.db2.gz GXFULSRUKQZYAC-UHFFFAOYSA-N 1 2 372.381 2.038 20 5 FEBDLO O=C(NCCOc1ncccc1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000437814163 559970110 /nfs/dbraw/zinc/97/01/10/559970110.db2.gz IYGIBWSHZNHAPX-UHFFFAOYSA-N 1 2 371.328 2.123 20 5 FEBDLO COC(=O)C1([NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])CCCCC1 ZINC000441398809 560031391 /nfs/dbraw/zinc/03/13/91/560031391.db2.gz IROOWEVKTVMMJI-UHFFFAOYSA-N 1 2 352.387 2.448 20 5 FEBDLO O=[N+]([O-])c1ccc(CNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)cc1 ZINC000442919439 560062176 /nfs/dbraw/zinc/06/21/76/560062176.db2.gz FIBCAWOJUHDGOH-UHFFFAOYSA-N 1 2 372.406 2.318 20 5 FEBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OC(C)(C)C ZINC000448939106 560207975 /nfs/dbraw/zinc/20/79/75/560207975.db2.gz WDFGXWXCPCYYKX-LLVKDONJSA-N 1 2 360.370 2.241 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000450196546 560253629 /nfs/dbraw/zinc/25/36/29/560253629.db2.gz NFWSOUUCRNKMPH-HUUCEWRRSA-N 1 2 356.382 2.279 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H]([C@H](O)C(F)(F)F)C3)n2)cc1 ZINC000451882146 560334342 /nfs/dbraw/zinc/33/43/42/560334342.db2.gz CJAWMEBTAHQQRS-MFKMUULPSA-N 1 2 372.303 2.390 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H]([C@H](O)C(F)(F)F)C3)n2)cc1 ZINC000451882146 560334343 /nfs/dbraw/zinc/33/43/43/560334343.db2.gz CJAWMEBTAHQQRS-MFKMUULPSA-N 1 2 372.303 2.390 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451887697 560334667 /nfs/dbraw/zinc/33/46/67/560334667.db2.gz KBSOQOIPRAIJMU-GIPNMCIBSA-N 1 2 361.320 2.167 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451887697 560334668 /nfs/dbraw/zinc/33/46/68/560334668.db2.gz KBSOQOIPRAIJMU-GIPNMCIBSA-N 1 2 361.320 2.167 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451903241 560335968 /nfs/dbraw/zinc/33/59/68/560335968.db2.gz IXWCRBFJFDSIIX-NRUUGDAUSA-N 1 2 361.320 2.167 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451903241 560335969 /nfs/dbraw/zinc/33/59/69/560335969.db2.gz IXWCRBFJFDSIIX-NRUUGDAUSA-N 1 2 361.320 2.167 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)c1C ZINC000451932670 560338814 /nfs/dbraw/zinc/33/88/14/560338814.db2.gz ASYKHYGPUQSOQA-JQWIXIFHSA-N 1 2 350.400 2.392 20 5 FEBDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2[nH+]ccn21 ZINC000451944883 560339882 /nfs/dbraw/zinc/33/98/82/560339882.db2.gz HBPBEESJWHIIPH-LDYMZIIASA-N 1 2 356.791 2.429 20 5 FEBDLO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2[nH+]ccn21 ZINC000451944881 560339908 /nfs/dbraw/zinc/33/99/08/560339908.db2.gz HBPBEESJWHIIPH-KCJUWKMLSA-N 1 2 356.791 2.429 20 5 FEBDLO Cn1c[nH+]c(CCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000457854415 560590616 /nfs/dbraw/zinc/59/06/16/560590616.db2.gz KHJMGXNGAYGVDT-UHFFFAOYSA-N 1 2 352.778 2.110 20 5 FEBDLO CO[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C12CCC2 ZINC000458155888 560605774 /nfs/dbraw/zinc/60/57/74/560605774.db2.gz BUDFFBHVPYWTSA-HZPDHXFCSA-N 1 2 356.382 2.468 20 5 FEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000458710098 560642729 /nfs/dbraw/zinc/64/27/29/560642729.db2.gz XFFAESNVAOXPLP-SNVBAGLBSA-N 1 2 357.374 2.248 20 5 FEBDLO C[C@H]1C[C@@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c2[nH+]ccn21 ZINC000459119716 560667870 /nfs/dbraw/zinc/66/78/70/560667870.db2.gz QSORANCMBAFVTR-XHDPSFHLSA-N 1 2 357.370 2.270 20 5 FEBDLO O=[N+]([O-])c1cc(I)cc(C[NH+]2CC(CCO)C2)c1 ZINC000459599737 560697088 /nfs/dbraw/zinc/69/70/88/560697088.db2.gz ZZNUVWFDZIMHLA-UHFFFAOYSA-N 1 2 362.167 2.014 20 5 FEBDLO O=C(Nc1cccc2[nH+]ccn21)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000460337149 560741782 /nfs/dbraw/zinc/74/17/82/560741782.db2.gz WHLZKOCWUXRYEW-NSHDSACASA-N 1 2 369.337 2.079 20 5 FEBDLO Cc1cc(NC[C@H](O)C[NH+]2CCOCC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461727170 560780472 /nfs/dbraw/zinc/78/04/72/560780472.db2.gz IQOCLZHYOIRWQZ-NSHDSACASA-N 1 2 363.336 2.027 20 5 FEBDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462131319 560798539 /nfs/dbraw/zinc/79/85/39/560798539.db2.gz AAQDPRZMTIYNEG-QMMMGPOBSA-N 1 2 368.242 2.226 20 5 FEBDLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462131319 560798540 /nfs/dbraw/zinc/79/85/40/560798540.db2.gz AAQDPRZMTIYNEG-QMMMGPOBSA-N 1 2 368.242 2.226 20 5 FEBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000469183158 560949365 /nfs/dbraw/zinc/94/93/65/560949365.db2.gz BRMIEWSYNOACIX-ZDUSSCGKSA-N 1 2 371.401 2.422 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccnn1C ZINC000471063203 560997327 /nfs/dbraw/zinc/99/73/27/560997327.db2.gz NVKSTMHMTCJYCO-JTQLQIEISA-N 1 2 351.794 2.441 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccnn1C ZINC000471063203 560997326 /nfs/dbraw/zinc/99/73/26/560997326.db2.gz NVKSTMHMTCJYCO-JTQLQIEISA-N 1 2 351.794 2.441 20 5 FEBDLO COC(=O)COc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000475127368 561091075 /nfs/dbraw/zinc/09/10/75/561091075.db2.gz FAPSBLRJZKJTDC-XQQFMLRXSA-N 1 2 352.387 2.144 20 5 FEBDLO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000475127368 561091076 /nfs/dbraw/zinc/09/10/76/561091076.db2.gz FAPSBLRJZKJTDC-XQQFMLRXSA-N 1 2 352.387 2.144 20 5 FEBDLO CCC[C@H]1C[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCO1 ZINC000475704657 561102648 /nfs/dbraw/zinc/10/26/48/561102648.db2.gz HYCCUIIGRAZZBD-AWEZNQCLSA-N 1 2 352.387 2.148 20 5 FEBDLO CCC[C@H]1C[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCO1 ZINC000475704657 561102649 /nfs/dbraw/zinc/10/26/49/561102649.db2.gz HYCCUIIGRAZZBD-AWEZNQCLSA-N 1 2 352.387 2.148 20 5 FEBDLO C[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1n1cc[nH+]c1 ZINC000531581251 562450701 /nfs/dbraw/zinc/45/07/01/562450701.db2.gz CQEOUANSZFTCRJ-SMDDNHRTSA-N 1 2 358.354 2.243 20 5 FEBDLO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1c(F)cccc1F ZINC000532398297 562476545 /nfs/dbraw/zinc/47/65/45/562476545.db2.gz PLBDHKBRAXAPCY-AWEZNQCLSA-N 1 2 350.325 2.301 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000532776720 562488529 /nfs/dbraw/zinc/48/85/29/562488529.db2.gz MSXMHJJQXYDHAY-AWEZNQCLSA-N 1 2 373.413 2.355 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000541113752 562603381 /nfs/dbraw/zinc/60/33/81/562603381.db2.gz LLLPTZBTILJOQO-UHFFFAOYSA-N 1 2 372.381 2.225 20 5 FEBDLO Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000541619368 562616679 /nfs/dbraw/zinc/61/66/79/562616679.db2.gz RREVUYVMPDVIGU-QGZVFWFLSA-N 1 2 357.410 2.405 20 5 FEBDLO Cc1cccc(C)c1OC[C@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000541619368 562616680 /nfs/dbraw/zinc/61/66/80/562616680.db2.gz RREVUYVMPDVIGU-QGZVFWFLSA-N 1 2 357.410 2.405 20 5 FEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000602799701 568036129 /nfs/dbraw/zinc/03/61/29/568036129.db2.gz DLICZMSILKHVNV-UHFFFAOYSA-N 1 2 351.451 2.069 20 5 FEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000602799701 568036130 /nfs/dbraw/zinc/03/61/30/568036130.db2.gz DLICZMSILKHVNV-UHFFFAOYSA-N 1 2 351.451 2.069 20 5 FEBDLO Cc1ccc(NCCCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)c([N+](=O)[O-])c1 ZINC000569930098 568437878 /nfs/dbraw/zinc/43/78/78/568437878.db2.gz CFBYRMJRWBXVIJ-CQSZACIVSA-N 1 2 357.414 2.281 20 5 FEBDLO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809822292 674512864 /nfs/dbraw/zinc/51/28/64/674512864.db2.gz GUCUDMICIOGIKY-VIFPVBQESA-N 1 2 365.814 2.007 20 5 FEBDLO C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809822292 674512866 /nfs/dbraw/zinc/51/28/66/674512866.db2.gz GUCUDMICIOGIKY-VIFPVBQESA-N 1 2 365.814 2.007 20 5 FEBDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809917926 674519498 /nfs/dbraw/zinc/51/94/98/674519498.db2.gz OQJODTZNLCXWES-NSHDSACASA-N 1 2 355.826 2.006 20 5 FEBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H]1CCS(=O)(=O)C1 ZINC000559103608 674528435 /nfs/dbraw/zinc/52/84/35/674528435.db2.gz PENNVGXDYYWUNL-JTQLQIEISA-N 1 2 366.361 2.480 20 5 FEBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H]1CCS(=O)(=O)C1 ZINC000559103608 674528436 /nfs/dbraw/zinc/52/84/36/674528436.db2.gz PENNVGXDYYWUNL-JTQLQIEISA-N 1 2 366.361 2.480 20 5 FEBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C2 ZINC000826499914 607943506 /nfs/dbraw/zinc/94/35/06/607943506.db2.gz DPSINZPOPFXHAE-UHFFFAOYSA-N 1 2 354.345 2.472 20 5 FEBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C2 ZINC000826499914 607943507 /nfs/dbraw/zinc/94/35/07/607943507.db2.gz DPSINZPOPFXHAE-UHFFFAOYSA-N 1 2 354.345 2.472 20 5 FEBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000815214308 674931145 /nfs/dbraw/zinc/93/11/45/674931145.db2.gz LYVBTCDEOKSXEB-CYBMUJFWSA-N 1 2 362.304 2.378 20 5 FEBDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000815214308 674931146 /nfs/dbraw/zinc/93/11/46/674931146.db2.gz LYVBTCDEOKSXEB-CYBMUJFWSA-N 1 2 362.304 2.378 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)NCCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000564145649 674977920 /nfs/dbraw/zinc/97/79/20/674977920.db2.gz ALIHWGQBESGGRH-UHFFFAOYSA-N 1 2 352.416 2.167 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609134790 675911412 /nfs/dbraw/zinc/91/14/12/675911412.db2.gz XUWCQDGDKSIZQW-AWEZNQCLSA-N 1 2 350.400 2.126 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609134630 675911434 /nfs/dbraw/zinc/91/14/34/675911434.db2.gz BQKUNCOIJNAGEE-LBPRGKRZSA-N 1 2 370.818 2.471 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000609134683 675911347 /nfs/dbraw/zinc/91/13/47/675911347.db2.gz GXIYMOHLWHGICF-CYBMUJFWSA-N 1 2 350.400 2.126 20 5 FEBDLO O=C(C[N@@H+]1CCSC[C@H]1C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000579675539 671752265 /nfs/dbraw/zinc/75/22/65/671752265.db2.gz RJFXCXCSVCTVIN-ZDUSSCGKSA-N 1 2 365.411 2.089 20 5 FEBDLO O=C(C[N@H+]1CCSC[C@H]1C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000579675539 671752266 /nfs/dbraw/zinc/75/22/66/671752266.db2.gz RJFXCXCSVCTVIN-ZDUSSCGKSA-N 1 2 365.411 2.089 20 5 FEBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000579790033 671760384 /nfs/dbraw/zinc/76/03/84/671760384.db2.gz WBPHONSXUMLWIV-UHFFFAOYSA-N 1 2 373.251 2.299 20 5 FEBDLO CN(CC[N@H+]1CCOC(C)(C)C1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000579790033 671760386 /nfs/dbraw/zinc/76/03/86/671760386.db2.gz WBPHONSXUMLWIV-UHFFFAOYSA-N 1 2 373.251 2.299 20 5 FEBDLO Cc1cc(S(=O)(=O)NCCCCn2cc[nH+]c2)c(C)cc1[N+](=O)[O-] ZINC000582475550 672004961 /nfs/dbraw/zinc/00/49/61/672004961.db2.gz UHUTYEUGGZTVCO-UHFFFAOYSA-N 1 2 352.416 2.167 20 5 FEBDLO O=C(C[NH+]1CCC(C2(O)CC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593050874 672868188 /nfs/dbraw/zinc/86/81/88/672868188.db2.gz QHGUKEZOQVGBPK-UHFFFAOYSA-N 1 2 353.806 2.424 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594603381 673105542 /nfs/dbraw/zinc/10/55/42/673105542.db2.gz UTIALVWJDNLLLN-UKRRQHHQSA-N 1 2 353.444 2.427 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594603381 673105545 /nfs/dbraw/zinc/10/55/45/673105545.db2.gz UTIALVWJDNLLLN-UKRRQHHQSA-N 1 2 353.444 2.427 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000596787706 673412807 /nfs/dbraw/zinc/41/28/07/673412807.db2.gz KBAVWSFGTRGZOC-CHWSQXEVSA-N 1 2 350.419 2.442 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000596787706 673412809 /nfs/dbraw/zinc/41/28/09/673412809.db2.gz KBAVWSFGTRGZOC-CHWSQXEVSA-N 1 2 350.419 2.442 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000596787708 673412833 /nfs/dbraw/zinc/41/28/33/673412833.db2.gz KBAVWSFGTRGZOC-QWHCGFSZSA-N 1 2 350.419 2.442 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000596787708 673412835 /nfs/dbraw/zinc/41/28/35/673412835.db2.gz KBAVWSFGTRGZOC-QWHCGFSZSA-N 1 2 350.419 2.442 20 5 FEBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597090767 673446115 /nfs/dbraw/zinc/44/61/15/673446115.db2.gz QSXGIHUDAQPZOQ-UHFFFAOYSA-N 1 2 371.825 2.063 20 5 FEBDLO C[C@@H]1SCC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1C ZINC000735666798 673499429 /nfs/dbraw/zinc/49/94/29/673499429.db2.gz FRQJWZGPNBRSAP-RYUDHWBXSA-N 1 2 364.427 2.147 20 5 FEBDLO C[C@@H]1SCC[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1C ZINC000735666798 673499432 /nfs/dbraw/zinc/49/94/32/673499432.db2.gz FRQJWZGPNBRSAP-RYUDHWBXSA-N 1 2 364.427 2.147 20 5 FEBDLO C[C@H]1SCC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1C ZINC000735666800 673499807 /nfs/dbraw/zinc/49/98/07/673499807.db2.gz FRQJWZGPNBRSAP-VXGBXAGGSA-N 1 2 364.427 2.147 20 5 FEBDLO C[C@H]1SCC[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1C ZINC000735666800 673499808 /nfs/dbraw/zinc/49/98/08/673499808.db2.gz FRQJWZGPNBRSAP-VXGBXAGGSA-N 1 2 364.427 2.147 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597710561 673501495 /nfs/dbraw/zinc/50/14/95/673501495.db2.gz VNKLETBYOOSYRQ-OAHLLOKOSA-N 1 2 367.833 2.114 20 5 FEBDLO CSc1cccc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000597993278 673527791 /nfs/dbraw/zinc/52/77/91/673527791.db2.gz FOTZONYEDXVVNA-NWDGAFQWSA-N 1 2 353.444 2.156 20 5 FEBDLO CSc1cccc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000597993278 673527793 /nfs/dbraw/zinc/52/77/93/673527793.db2.gz FOTZONYEDXVVNA-NWDGAFQWSA-N 1 2 353.444 2.156 20 5 FEBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000598948146 673624444 /nfs/dbraw/zinc/62/44/44/673624444.db2.gz PHFYLEDGNKEYCF-VIFPVBQESA-N 1 2 352.297 2.138 20 5 FEBDLO C[S@@](=O)CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000741749133 673696536 /nfs/dbraw/zinc/69/65/36/673696536.db2.gz NTKHKUMWKCLJGX-XMMPIXPASA-N 1 2 365.377 2.114 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)[S@]4=O)n2)cc1 ZINC000599631767 673699638 /nfs/dbraw/zinc/69/96/38/673699638.db2.gz AHBJGSGGPGUMCR-JXQWACKNSA-N 1 2 362.411 2.130 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[S@]4=O)n2)cc1 ZINC000599631767 673699639 /nfs/dbraw/zinc/69/96/39/673699639.db2.gz AHBJGSGGPGUMCR-JXQWACKNSA-N 1 2 362.411 2.130 20 5 FEBDLO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602642767 673909203 /nfs/dbraw/zinc/90/92/03/673909203.db2.gz MYHUUAYRGBNIGX-LBPRGKRZSA-N 1 2 362.249 2.377 20 5 FEBDLO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602642767 673909204 /nfs/dbraw/zinc/90/92/04/673909204.db2.gz MYHUUAYRGBNIGX-LBPRGKRZSA-N 1 2 362.249 2.377 20 5 FEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000602758445 673910523 /nfs/dbraw/zinc/91/05/23/673910523.db2.gz LMMXIZIKXMNDEI-LBPRGKRZSA-N 1 2 366.443 2.196 20 5 FEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000602758445 673910527 /nfs/dbraw/zinc/91/05/27/673910527.db2.gz LMMXIZIKXMNDEI-LBPRGKRZSA-N 1 2 366.443 2.196 20 5 FEBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000820398757 675360334 /nfs/dbraw/zinc/36/03/34/675360334.db2.gz KJZIHGNTPCDYPI-CYBMUJFWSA-N 1 2 373.203 2.121 20 5 FEBDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000820398757 675360336 /nfs/dbraw/zinc/36/03/36/675360336.db2.gz KJZIHGNTPCDYPI-CYBMUJFWSA-N 1 2 373.203 2.121 20 5 FEBDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000820398758 675360366 /nfs/dbraw/zinc/36/03/66/675360366.db2.gz KJZIHGNTPCDYPI-ZDUSSCGKSA-N 1 2 373.203 2.121 20 5 FEBDLO CC[N@H+]1CCO[C@H](C(=O)OCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000820398758 675360369 /nfs/dbraw/zinc/36/03/69/675360369.db2.gz KJZIHGNTPCDYPI-ZDUSSCGKSA-N 1 2 373.203 2.121 20 5 FEBDLO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000820827450 675391599 /nfs/dbraw/zinc/39/15/99/675391599.db2.gz LTBIQJPHBIINAS-LBPRGKRZSA-N 1 2 354.794 2.187 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H](n2ccnn2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823468059 675555324 /nfs/dbraw/zinc/55/53/24/675555324.db2.gz AVHYRUOTIOUFDB-LBPRGKRZSA-N 1 2 364.793 2.115 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H](n2ccnn2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823468059 675555327 /nfs/dbraw/zinc/55/53/27/675555327.db2.gz AVHYRUOTIOUFDB-LBPRGKRZSA-N 1 2 364.793 2.115 20 5 FEBDLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000826994781 675721953 /nfs/dbraw/zinc/72/19/53/675721953.db2.gz NOIDAAIXIDKANF-JTQLQIEISA-N 1 2 370.203 2.384 20 5 FEBDLO O=C1OCCN1[C@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000826994781 675721956 /nfs/dbraw/zinc/72/19/56/675721956.db2.gz NOIDAAIXIDKANF-JTQLQIEISA-N 1 2 370.203 2.384 20 5 FEBDLO CN(C)c1cc(Cn2cc([N+](=O)[O-])cc(Br)c2=O)cc[nH+]1 ZINC000762478415 680750991 /nfs/dbraw/zinc/75/09/91/680750991.db2.gz HXVYNJAPOFDMQO-UHFFFAOYSA-N 1 2 353.176 2.028 20 5 FEBDLO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000832904514 680183872 /nfs/dbraw/zinc/18/38/72/680183872.db2.gz TUFGJYKKPXOPBF-UHFFFAOYSA-N 1 2 363.761 2.059 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccccc1Cl ZINC001029305309 680387835 /nfs/dbraw/zinc/38/78/35/680387835.db2.gz XJJLJMPVNXQQGC-JYYAWHABSA-N 1 2 363.845 2.223 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccccc1Cl ZINC001029305309 680387838 /nfs/dbraw/zinc/38/78/38/680387838.db2.gz XJJLJMPVNXQQGC-JYYAWHABSA-N 1 2 363.845 2.223 20 5 FEBDLO O=C(NCC1=CC[N@H+](Cc2ccc(Cl)c(F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000668424 680436869 /nfs/dbraw/zinc/43/68/69/680436869.db2.gz CWRUBTYKLIAYAS-CZUORRHYSA-N 1 2 367.808 2.393 20 5 FEBDLO O=C(NCC1=CC[N@@H+](Cc2ccc(Cl)c(F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000668424 680436870 /nfs/dbraw/zinc/43/68/70/680436870.db2.gz CWRUBTYKLIAYAS-CZUORRHYSA-N 1 2 367.808 2.393 20 5 FEBDLO O=C(NC1CC[NH+](Cc2cccc(Cl)c2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002782692 680507881 /nfs/dbraw/zinc/50/78/81/680507881.db2.gz NYHMYPMUNSXLDP-TZMCWYRMSA-N 1 2 355.797 2.225 20 5 FEBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCCc2ccccc2Cl)C1 ZINC001042705268 680539543 /nfs/dbraw/zinc/53/95/43/680539543.db2.gz AQCRRARMQKFOLU-GDBMZVCRSA-N 1 2 351.834 2.080 20 5 FEBDLO CC[NH+](CC)Cc1csc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)n1 ZINC000844132049 681040871 /nfs/dbraw/zinc/04/08/71/681040871.db2.gz QRCONNZUJHNOSC-UHFFFAOYSA-N 1 2 351.388 2.246 20 5 FEBDLO C[S@](=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000771144015 681043831 /nfs/dbraw/zinc/04/38/31/681043831.db2.gz FEGOOUYMQJDNNB-DEOSSOPVSA-N 1 2 365.377 2.114 20 5 FEBDLO O=[N+]([O-])c1nn(C[N@@H+]2CCC[C@@H]2C2CCOCC2)cc1Br ZINC000776770493 681434690 /nfs/dbraw/zinc/43/46/90/681434690.db2.gz WABOFWCEECOXRL-GFCCVEGCSA-N 1 2 359.224 2.402 20 5 FEBDLO O=[N+]([O-])c1nn(C[N@H+]2CCC[C@@H]2C2CCOCC2)cc1Br ZINC000776770493 681434693 /nfs/dbraw/zinc/43/46/93/681434693.db2.gz WABOFWCEECOXRL-GFCCVEGCSA-N 1 2 359.224 2.402 20 5 FEBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000874707477 685449967 /nfs/dbraw/zinc/44/99/67/685449967.db2.gz LRRZRSQIQPUFRZ-STQMWFEESA-N 1 2 353.394 2.064 20 5 FEBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000874707477 685449971 /nfs/dbraw/zinc/44/99/71/685449971.db2.gz LRRZRSQIQPUFRZ-STQMWFEESA-N 1 2 353.394 2.064 20 5 FEBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000874711529 685450992 /nfs/dbraw/zinc/45/09/92/685450992.db2.gz QEVXSTXPATYMPU-LBPRGKRZSA-N 1 2 355.822 2.397 20 5 FEBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000874711529 685450996 /nfs/dbraw/zinc/45/09/96/685450996.db2.gz QEVXSTXPATYMPU-LBPRGKRZSA-N 1 2 355.822 2.397 20 5 FEBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](Cc2ccc(C(F)F)cc2)C1 ZINC000950056152 681670638 /nfs/dbraw/zinc/67/06/38/681670638.db2.gz UYDDUBZPAQFBRL-HUUCEWRRSA-N 1 2 353.369 2.322 20 5 FEBDLO COCCO[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000780490679 681832710 /nfs/dbraw/zinc/83/27/10/681832710.db2.gz YAZDXXGHSQISFG-CYBMUJFWSA-N 1 2 354.794 2.293 20 5 FEBDLO COCCO[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000780490679 681832718 /nfs/dbraw/zinc/83/27/18/681832718.db2.gz YAZDXXGHSQISFG-CYBMUJFWSA-N 1 2 354.794 2.293 20 5 FEBDLO O=C(OCCCn1cc[nH+]c1)c1cc(Br)ncc1[N+](=O)[O-] ZINC000784488359 682232577 /nfs/dbraw/zinc/23/25/77/682232577.db2.gz KGCGSVWOMYQUMS-UHFFFAOYSA-N 1 2 355.148 2.196 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)cc1Cl ZINC000854730773 682586613 /nfs/dbraw/zinc/58/66/13/682586613.db2.gz QMXODWFNVMYKIG-CYBMUJFWSA-N 1 2 367.833 2.493 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000793712690 682905280 /nfs/dbraw/zinc/90/52/80/682905280.db2.gz XZHYVPQFWCPCFI-GXTWGEPZSA-N 1 2 351.407 2.080 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000793712690 682905282 /nfs/dbraw/zinc/90/52/82/682905282.db2.gz XZHYVPQFWCPCFI-GXTWGEPZSA-N 1 2 351.407 2.080 20 5 FEBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000860196815 683214468 /nfs/dbraw/zinc/21/44/68/683214468.db2.gz KHSKCWLIJBOVGQ-LLVKDONJSA-N 1 2 361.851 2.009 20 5 FEBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000860196815 683214471 /nfs/dbraw/zinc/21/44/71/683214471.db2.gz KHSKCWLIJBOVGQ-LLVKDONJSA-N 1 2 361.851 2.009 20 5 FEBDLO Cn1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(Br)n1 ZINC000862349846 683575124 /nfs/dbraw/zinc/57/51/24/683575124.db2.gz UEUVLYRLAQDFNM-UHFFFAOYSA-N 1 2 369.223 2.124 20 5 FEBDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CC[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000931177400 683846665 /nfs/dbraw/zinc/84/66/65/683846665.db2.gz XZDMFZITNRSJKB-MNOVXSKESA-N 1 2 355.357 2.288 20 5 FEBDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](CC[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000931177400 683846668 /nfs/dbraw/zinc/84/66/68/683846668.db2.gz XZDMFZITNRSJKB-MNOVXSKESA-N 1 2 355.357 2.288 20 5 FEBDLO Cn1ncc(I)c1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000865868654 684039180 /nfs/dbraw/zinc/03/91/80/684039180.db2.gz UCUJYISYTSOSPS-UHFFFAOYSA-N 1 2 372.166 2.223 20 5 FEBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925252367 684544523 /nfs/dbraw/zinc/54/45/23/684544523.db2.gz JSNFOOQYUFCPNS-UKRRQHHQSA-N 1 2 350.419 2.066 20 5 FEBDLO Cc1nn(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c2cc([N+](=O)[O-])ccc12 ZINC000872687920 685005240 /nfs/dbraw/zinc/00/52/40/685005240.db2.gz BBRDFWKIHFOFQC-GXFFZTMASA-N 1 2 358.320 2.313 20 5 FEBDLO Cc1nn(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c2cc([N+](=O)[O-])ccc12 ZINC000872687920 685005242 /nfs/dbraw/zinc/00/52/42/685005242.db2.gz BBRDFWKIHFOFQC-GXFFZTMASA-N 1 2 358.320 2.313 20 5 FEBDLO COc1nn(C)cc1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000898025748 690116672 /nfs/dbraw/zinc/11/66/72/690116672.db2.gz OYGBLUGVSDXMCQ-UHFFFAOYSA-N 1 2 361.221 2.451 20 5 FEBDLO CCOC(=O)C1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000016476008 539632758 /nfs/dbraw/zinc/63/27/58/539632758.db2.gz QCPCQHDTMMYVNJ-UHFFFAOYSA-N 1 2 360.370 2.420 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2ccccc2O)CC1 ZINC000016481176 539632799 /nfs/dbraw/zinc/63/27/99/539632799.db2.gz SJPOIIJCPBEMJO-AWEZNQCLSA-N 1 2 370.409 2.450 20 5 FEBDLO CN(C)C(=O)c1cccc(NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026349828 539784948 /nfs/dbraw/zinc/78/49/48/539784948.db2.gz RLYJTLNZVRZLBV-UHFFFAOYSA-N 1 2 370.409 2.367 20 5 FEBDLO CN(C)C(=O)c1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026349828 539784952 /nfs/dbraw/zinc/78/49/52/539784952.db2.gz RLYJTLNZVRZLBV-UHFFFAOYSA-N 1 2 370.409 2.367 20 5 FEBDLO O=C(C[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)N1CCCCC1 ZINC000031304069 539904154 /nfs/dbraw/zinc/90/41/54/539904154.db2.gz SOAZFCLQRFMHLM-UHFFFAOYSA-N 1 2 366.849 2.383 20 5 FEBDLO Cc1c(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)cccc1[N+](=O)[O-] ZINC000046715812 540267805 /nfs/dbraw/zinc/26/78/05/540267805.db2.gz NSAKTQCZVRBZGX-ZDUSSCGKSA-N 1 2 370.409 2.453 20 5 FEBDLO Cc1noc([C@H]2CCC[N@@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000052862324 540495337 /nfs/dbraw/zinc/49/53/37/540495337.db2.gz MAZHPSJVYSXTON-ZDUSSCGKSA-N 1 2 359.386 2.129 20 5 FEBDLO Cc1noc([C@H]2CCC[N@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000052862324 540495340 /nfs/dbraw/zinc/49/53/40/540495340.db2.gz MAZHPSJVYSXTON-ZDUSSCGKSA-N 1 2 359.386 2.129 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000052929461 540500660 /nfs/dbraw/zinc/50/06/60/540500660.db2.gz ZJPYVJLFEXJXOC-OAHLLOKOSA-N 1 2 374.441 2.080 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000052929461 540500664 /nfs/dbraw/zinc/50/06/64/540500664.db2.gz ZJPYVJLFEXJXOC-OAHLLOKOSA-N 1 2 374.441 2.080 20 5 FEBDLO CN(C)c1[nH+]cccc1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000052992739 540505201 /nfs/dbraw/zinc/50/52/01/540505201.db2.gz NGZVBBZSJJQYKF-UHFFFAOYSA-N 1 2 366.381 2.172 20 5 FEBDLO Cc1noc(C2CC[NH+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])CC2)n1 ZINC000054679053 540602654 /nfs/dbraw/zinc/60/26/54/540602654.db2.gz AUXYKRFJFXCQRU-UHFFFAOYSA-N 1 2 359.386 2.413 20 5 FEBDLO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[NH+]2CCOCC2)cc1 ZINC000056343195 540719691 /nfs/dbraw/zinc/71/96/91/540719691.db2.gz NMLAXIRDQPKWAD-KRWDZBQOSA-N 1 2 358.398 2.035 20 5 FEBDLO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000057358077 540791009 /nfs/dbraw/zinc/79/10/09/540791009.db2.gz SXFYHAMWFCPJJS-UHFFFAOYSA-N 1 2 367.369 2.025 20 5 FEBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000057485805 540799774 /nfs/dbraw/zinc/79/97/74/540799774.db2.gz OMUKXUCEFMIHLR-CYBMUJFWSA-N 1 2 367.471 2.302 20 5 FEBDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000057750898 540812748 /nfs/dbraw/zinc/81/27/48/540812748.db2.gz UHWAOPYUEGDONS-HOTGVXAUSA-N 1 2 360.458 2.221 20 5 FEBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@@H]1CCCO1 ZINC000110850316 209326592 /nfs/dbraw/zinc/32/65/92/209326592.db2.gz QOPSYOWNLYEJPT-NSHDSACASA-N 1 2 372.219 2.407 20 5 FEBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@@H]1CCCO1 ZINC000110850316 209326594 /nfs/dbraw/zinc/32/65/94/209326594.db2.gz QOPSYOWNLYEJPT-NSHDSACASA-N 1 2 372.219 2.407 20 5 FEBDLO CN(CCc1ccccn1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000060658592 541119789 /nfs/dbraw/zinc/11/97/89/541119789.db2.gz ZYEJYFDMHOIROI-UHFFFAOYSA-N 1 2 351.366 2.490 20 5 FEBDLO Cc1noc(C)c1C[NH+]1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000065544762 541244637 /nfs/dbraw/zinc/24/46/37/541244637.db2.gz AQWDEPLHAKOTKH-UHFFFAOYSA-N 1 2 360.414 2.396 20 5 FEBDLO Cc1noc(C)c1CN1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000065544762 541244640 /nfs/dbraw/zinc/24/46/40/541244640.db2.gz AQWDEPLHAKOTKH-UHFFFAOYSA-N 1 2 360.414 2.396 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000067035838 541409039 /nfs/dbraw/zinc/40/90/39/541409039.db2.gz FJWCMZIFJVCMBY-UHFFFAOYSA-N 1 2 356.382 2.065 20 5 FEBDLO CC(C)[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000068123484 541552062 /nfs/dbraw/zinc/55/20/62/541552062.db2.gz FAAWCDQGYYDYTO-HNNXBMFYSA-N 1 2 355.822 2.335 20 5 FEBDLO CC(=O)N(C)C1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000068576333 541611805 /nfs/dbraw/zinc/61/18/05/541611805.db2.gz XVURSJXHQYCLBQ-UHFFFAOYSA-N 1 2 368.821 2.129 20 5 FEBDLO COc1cc(OCC(=O)NCc2cn3ccc(C)cc3[nH+]2)ccc1[N+](=O)[O-] ZINC000068881954 541636639 /nfs/dbraw/zinc/63/66/39/541636639.db2.gz XEJDCCLVFKOWET-UHFFFAOYSA-N 1 2 370.365 2.255 20 5 FEBDLO CC[C@H](CO)N1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000072798239 541866988 /nfs/dbraw/zinc/86/69/88/541866988.db2.gz DHQQXIVUJBIAKI-MRXNPFEDSA-N 1 2 374.441 2.181 20 5 FEBDLO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000073758072 541996520 /nfs/dbraw/zinc/99/65/20/541996520.db2.gz BYTBGVSLTCIQKD-PBHICJAKSA-N 1 2 362.430 2.162 20 5 FEBDLO O=C(NCCNc1cccc[nH+]1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000073832090 542005119 /nfs/dbraw/zinc/00/51/19/542005119.db2.gz NTAAARXZFPLONS-UHFFFAOYSA-N 1 2 369.425 2.435 20 5 FEBDLO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075554010 542187421 /nfs/dbraw/zinc/18/74/21/542187421.db2.gz YEKNPSDTIVKRPM-LLVKDONJSA-N 1 2 358.354 2.109 20 5 FEBDLO CC(=O)N1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000157805757 545786275 /nfs/dbraw/zinc/78/62/75/545786275.db2.gz SSRYJSLPIGGRKR-UHFFFAOYSA-N 1 2 356.220 2.412 20 5 FEBDLO CC(=O)N1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000157805757 545786279 /nfs/dbraw/zinc/78/62/79/545786279.db2.gz SSRYJSLPIGGRKR-UHFFFAOYSA-N 1 2 356.220 2.412 20 5 FEBDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000077377214 542374794 /nfs/dbraw/zinc/37/47/94/542374794.db2.gz TXYDBCNKHPWVQN-JTQLQIEISA-N 1 2 355.441 2.497 20 5 FEBDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000077377214 542374797 /nfs/dbraw/zinc/37/47/97/542374797.db2.gz TXYDBCNKHPWVQN-JTQLQIEISA-N 1 2 355.441 2.497 20 5 FEBDLO Cc1ccc(S(=O)(=O)N(C)c2ccc[nH+]c2N(C)C)c([N+](=O)[O-])c1 ZINC000080280103 542582062 /nfs/dbraw/zinc/58/20/62/542582062.db2.gz IGHDTJOQRYKFQC-UHFFFAOYSA-N 1 2 350.400 2.189 20 5 FEBDLO CC(C)OCC[NH+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000080488935 542591855 /nfs/dbraw/zinc/59/18/55/542591855.db2.gz ARZRPZNSFCQPPV-UHFFFAOYSA-N 1 2 367.471 2.256 20 5 FEBDLO C[C@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC000081799699 542676871 /nfs/dbraw/zinc/67/68/71/542676871.db2.gz CMTAIQASFZSYPM-CYBMUJFWSA-N 1 2 368.397 2.258 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000088777514 542757283 /nfs/dbraw/zinc/75/72/83/542757283.db2.gz QONSPSZIXCXIPY-LBPRGKRZSA-N 1 2 350.400 2.195 20 5 FEBDLO O=C(C[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1)NC1CCCCC1 ZINC000103145532 543094710 /nfs/dbraw/zinc/09/47/10/543094710.db2.gz UMUMPAAIBULVQJ-UHFFFAOYSA-N 1 2 366.487 2.223 20 5 FEBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCOC1 ZINC000106880392 543251975 /nfs/dbraw/zinc/25/19/75/543251975.db2.gz AFJZEVIWMSXCBR-JTQLQIEISA-N 1 2 358.192 2.017 20 5 FEBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCOC1 ZINC000106880392 543251978 /nfs/dbraw/zinc/25/19/78/543251978.db2.gz AFJZEVIWMSXCBR-JTQLQIEISA-N 1 2 358.192 2.017 20 5 FEBDLO COc1ccc([C@H](CO)[N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000112997271 543471548 /nfs/dbraw/zinc/47/15/48/543471548.db2.gz ZXTYBCZOPHWMQS-SFHVURJKSA-N 1 2 373.409 2.232 20 5 FEBDLO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000112997271 543471549 /nfs/dbraw/zinc/47/15/49/543471549.db2.gz ZXTYBCZOPHWMQS-SFHVURJKSA-N 1 2 373.409 2.232 20 5 FEBDLO O=C(NCCCNc1cccc[nH+]1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000115161979 543553912 /nfs/dbraw/zinc/55/39/12/543553912.db2.gz UTNOGULVAQHURE-UHFFFAOYSA-N 1 2 366.381 2.408 20 5 FEBDLO Cc1c(Br)cc(C(=O)NCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000121467703 543694759 /nfs/dbraw/zinc/69/47/59/543694759.db2.gz IARAIYOJQQGXHM-UHFFFAOYSA-N 1 2 367.203 2.372 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@H](C(N)=O)O1 ZINC000123092240 543741726 /nfs/dbraw/zinc/74/17/26/543741726.db2.gz DBBQOONGJIZWQH-SJKOYZFVSA-N 1 2 352.390 2.021 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@H](C(N)=O)O1 ZINC000123092240 543741730 /nfs/dbraw/zinc/74/17/30/543741730.db2.gz DBBQOONGJIZWQH-SJKOYZFVSA-N 1 2 352.390 2.021 20 5 FEBDLO COCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000128690429 544067359 /nfs/dbraw/zinc/06/73/59/544067359.db2.gz IKAJOOJXMYTTKV-UHFFFAOYSA-N 1 2 359.382 2.145 20 5 FEBDLO CC(C)C[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000132415508 544230397 /nfs/dbraw/zinc/23/03/97/544230397.db2.gz OTGZZOWQHDJZQU-AWEZNQCLSA-N 1 2 353.394 2.211 20 5 FEBDLO COc1cc(C[N@H+](CC(N)=O)C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000133986502 544290374 /nfs/dbraw/zinc/29/03/74/544290374.db2.gz DUSZCIRPPNXLJI-UHFFFAOYSA-N 1 2 361.345 2.291 20 5 FEBDLO COc1cc(C[N@@H+](CC(N)=O)C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000133986502 544290375 /nfs/dbraw/zinc/29/03/75/544290375.db2.gz DUSZCIRPPNXLJI-UHFFFAOYSA-N 1 2 361.345 2.291 20 5 FEBDLO CN(C(=O)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000154011589 544852423 /nfs/dbraw/zinc/85/24/23/544852423.db2.gz YSBUSVYCQXUDMC-QGZVFWFLSA-N 1 2 356.382 2.106 20 5 FEBDLO CN(C(=O)C[N@H+]1CC[C@@H](Oc2ccncc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000154011589 544852425 /nfs/dbraw/zinc/85/24/25/544852425.db2.gz YSBUSVYCQXUDMC-QGZVFWFLSA-N 1 2 356.382 2.106 20 5 FEBDLO CCC[C@H](C)[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000186254572 327954091 /nfs/dbraw/zinc/95/40/91/327954091.db2.gz IVUPGUNIRMXOOK-ZDUSSCGKSA-N 1 2 355.460 2.309 20 5 FEBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000186860312 327986963 /nfs/dbraw/zinc/98/69/63/327986963.db2.gz ZZGIEYDQLDNFBC-CQSZACIVSA-N 1 2 371.328 2.087 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000189252300 328137275 /nfs/dbraw/zinc/13/72/75/328137275.db2.gz QJNKOGHJSVIJEF-MKBNYLNASA-N 1 2 351.403 2.287 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000189252300 328137277 /nfs/dbraw/zinc/13/72/77/328137277.db2.gz QJNKOGHJSVIJEF-MKBNYLNASA-N 1 2 351.403 2.287 20 5 FEBDLO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H](O)C(F)(F)F ZINC000189494238 328151663 /nfs/dbraw/zinc/15/16/63/328151663.db2.gz SSUPYAAZOPVNDP-NSHDSACASA-N 1 2 360.292 2.390 20 5 FEBDLO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H](O)C(F)(F)F ZINC000189494238 328151665 /nfs/dbraw/zinc/15/16/65/328151665.db2.gz SSUPYAAZOPVNDP-NSHDSACASA-N 1 2 360.292 2.390 20 5 FEBDLO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H](O)C(F)(F)F ZINC000189518922 328152534 /nfs/dbraw/zinc/15/25/34/328152534.db2.gz YATPHKREMVZNBJ-NSHDSACASA-N 1 2 369.727 2.432 20 5 FEBDLO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H](O)C(F)(F)F ZINC000189518922 328152535 /nfs/dbraw/zinc/15/25/35/328152535.db2.gz YATPHKREMVZNBJ-NSHDSACASA-N 1 2 369.727 2.432 20 5 FEBDLO COCCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000189677655 328161645 /nfs/dbraw/zinc/16/16/45/328161645.db2.gz VBTGZUCCBAFRSJ-YPMHNXCESA-N 1 2 371.821 2.313 20 5 FEBDLO COCCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000189677655 328161647 /nfs/dbraw/zinc/16/16/47/328161647.db2.gz VBTGZUCCBAFRSJ-YPMHNXCESA-N 1 2 371.821 2.313 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)NCc2ccc[nH+]c2N(C)C)cc1[N+](=O)[O-] ZINC000191877166 328286341 /nfs/dbraw/zinc/28/63/41/328286341.db2.gz SXKCVKUWBGMRAF-UHFFFAOYSA-N 1 2 364.427 2.151 20 5 FEBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193561573 328381922 /nfs/dbraw/zinc/38/19/22/328381922.db2.gz HCXFULFNHJALTK-UHFFFAOYSA-N 1 2 371.397 2.401 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1C ZINC000193813057 328396851 /nfs/dbraw/zinc/39/68/51/328396851.db2.gz KSBXIYAUQUGSLC-CQSZACIVSA-N 1 2 353.444 2.070 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1C ZINC000193813057 328396852 /nfs/dbraw/zinc/39/68/52/328396852.db2.gz KSBXIYAUQUGSLC-CQSZACIVSA-N 1 2 353.444 2.070 20 5 FEBDLO O=C(Cc1cn2ccccc2[nH+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000032082816 324473974 /nfs/dbraw/zinc/47/39/74/324473974.db2.gz QQGYXXYRAGZZSD-UHFFFAOYSA-N 1 2 365.393 2.134 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CCCC[C@@H]2C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000078618340 325054337 /nfs/dbraw/zinc/05/43/37/325054337.db2.gz PZCXVZYPBQZUAT-CQSZACIVSA-N 1 2 350.375 2.194 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091083018 325373944 /nfs/dbraw/zinc/37/39/44/325373944.db2.gz GBSTUIXOOBLJCD-LBPRGKRZSA-N 1 2 356.373 2.195 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCN(CC(F)F)CC1 ZINC000091083018 325373946 /nfs/dbraw/zinc/37/39/46/325373946.db2.gz GBSTUIXOOBLJCD-LBPRGKRZSA-N 1 2 356.373 2.195 20 5 FEBDLO O=C(C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)NCC(F)(F)F ZINC000113324157 325841752 /nfs/dbraw/zinc/84/17/52/325841752.db2.gz DQXHYSXRBZGLFD-UHFFFAOYSA-N 1 2 374.344 2.486 20 5 FEBDLO CC(C)C(=O)N1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000118831131 326105444 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362.455 2.211 20 5 FEBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000154996811 326774636 /nfs/dbraw/zinc/77/46/36/326774636.db2.gz FUSQIDYKPWWQNS-UHFFFAOYSA-N 1 2 368.397 2.354 20 5 FEBDLO Cc1cccc(NCCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[nH+]1 ZINC000155261667 326782838 /nfs/dbraw/zinc/78/28/38/326782838.db2.gz DWNDBYTXQAOCRZ-UHFFFAOYSA-N 1 2 370.818 2.342 20 5 FEBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000155491467 326789776 /nfs/dbraw/zinc/78/97/76/326789776.db2.gz LCMUYBGWFHAEQB-AWEZNQCLSA-N 1 2 369.425 2.455 20 5 FEBDLO CN(CC(=O)OC(C)(C)C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000170628210 327089323 /nfs/dbraw/zinc/08/93/23/327089323.db2.gz LFBVIEWWVSTXBB-UHFFFAOYSA-N 1 2 360.370 2.194 20 5 FEBDLO CCc1ccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000173293925 327247640 /nfs/dbraw/zinc/24/76/40/327247640.db2.gz SUYTYRJWHKPVPH-UHFFFAOYSA-N 1 2 370.409 2.319 20 5 FEBDLO O=C(NCCn1cc[nH+]c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174007448 327301321 /nfs/dbraw/zinc/30/13/21/327301321.db2.gz CQRLSLRGIVLKCD-UHFFFAOYSA-N 1 2 359.386 2.044 20 5 FEBDLO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)NCc1ccco1 ZINC000174243908 327315256 /nfs/dbraw/zinc/31/52/56/327315256.db2.gz RXJUHMBVLKTTBA-UHFFFAOYSA-N 1 2 359.382 2.347 20 5 FEBDLO C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000248713806 328736674 /nfs/dbraw/zinc/73/66/74/328736674.db2.gz DSEUSTJBVRNLPQ-SWLSCSKDSA-N 1 2 350.400 2.063 20 5 FEBDLO C[C@@H]1SCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C ZINC000265463872 329129727 /nfs/dbraw/zinc/12/97/27/329129727.db2.gz HHHSEARJXRCTOC-UWVGGRQHSA-N 1 2 353.400 2.088 20 5 FEBDLO C[C@@H]1SCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C ZINC000265463872 329129729 /nfs/dbraw/zinc/12/97/29/329129729.db2.gz HHHSEARJXRCTOC-UWVGGRQHSA-N 1 2 353.400 2.088 20 5 FEBDLO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccnc2)CC1 ZINC000266537664 329233916 /nfs/dbraw/zinc/23/39/16/329233916.db2.gz 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Cc1noc(C)c1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000299681698 330197880 /nfs/dbraw/zinc/19/78/80/330197880.db2.gz SBJDAKKUPXTEJA-UHFFFAOYSA-N 1 2 358.398 2.466 20 5 FEBDLO CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C[NH+]1CCOCC1 ZINC000414053544 330258305 /nfs/dbraw/zinc/25/83/05/330258305.db2.gz SGQJWUZLLBZSLG-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247294087 518188047 /nfs/dbraw/zinc/18/80/47/518188047.db2.gz FERREZRCHLPFFU-WFASDCNBSA-N 1 2 364.427 2.372 20 5 FEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000555590345 674368270 /nfs/dbraw/zinc/36/82/70/674368270.db2.gz BOWARFQDHLQCHU-LBPRGKRZSA-N 1 2 351.794 2.169 20 5 FEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000555590345 674368271 /nfs/dbraw/zinc/36/82/71/674368271.db2.gz BOWARFQDHLQCHU-LBPRGKRZSA-N 1 2 351.794 2.169 20 5 FEBDLO CCOCCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000157724227 545774412 /nfs/dbraw/zinc/77/44/12/545774412.db2.gz QLKSSPCSBWIZMP-CJNGLKHVSA-N 1 2 351.403 2.049 20 5 FEBDLO CCOCCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000157724227 545774415 /nfs/dbraw/zinc/77/44/15/545774415.db2.gz QLKSSPCSBWIZMP-CJNGLKHVSA-N 1 2 351.403 2.049 20 5 FEBDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000480223099 561205261 /nfs/dbraw/zinc/20/52/61/561205261.db2.gz IDLQFPAFWZWQQJ-KBPBESRZSA-N 1 2 351.357 2.492 20 5 FEBDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000480223099 561205262 /nfs/dbraw/zinc/20/52/62/561205262.db2.gz IDLQFPAFWZWQQJ-KBPBESRZSA-N 1 2 351.357 2.492 20 5 FEBDLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000481499365 561234314 /nfs/dbraw/zinc/23/43/14/561234314.db2.gz MKGLPANFHJRBQA-IUODEOHRSA-N 1 2 352.387 2.256 20 5 FEBDLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000481499365 561234315 /nfs/dbraw/zinc/23/43/15/561234315.db2.gz MKGLPANFHJRBQA-IUODEOHRSA-N 1 2 352.387 2.256 20 5 FEBDLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000178800456 546851885 /nfs/dbraw/zinc/85/18/85/546851885.db2.gz HSZJVMXHUCBDMV-RUZDIDTESA-N 1 2 361.423 2.063 20 5 FEBDLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000178800456 546851888 /nfs/dbraw/zinc/85/18/88/546851888.db2.gz HSZJVMXHUCBDMV-RUZDIDTESA-N 1 2 361.423 2.063 20 5 FEBDLO CC(=O)NC[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000179713938 547002359 /nfs/dbraw/zinc/00/23/59/547002359.db2.gz BUIUAZBTOCIEEI-KRWDZBQOSA-N 1 2 359.382 2.192 20 5 FEBDLO CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000179713938 547002360 /nfs/dbraw/zinc/00/23/60/547002360.db2.gz BUIUAZBTOCIEEI-KRWDZBQOSA-N 1 2 359.382 2.192 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181339326 547296512 /nfs/dbraw/zinc/29/65/12/547296512.db2.gz ZICJQOIABASFOW-HQJQHLMTSA-N 1 2 369.727 2.430 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181339326 547296516 /nfs/dbraw/zinc/29/65/16/547296516.db2.gz ZICJQOIABASFOW-HQJQHLMTSA-N 1 2 369.727 2.430 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000184474220 547832519 /nfs/dbraw/zinc/83/25/19/547832519.db2.gz YEKYHGMIUGPUNQ-UHFFFAOYSA-N 1 2 350.419 2.444 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000184474220 547832525 /nfs/dbraw/zinc/83/25/25/547832525.db2.gz YEKYHGMIUGPUNQ-UHFFFAOYSA-N 1 2 350.419 2.444 20 5 FEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000184792004 547879736 /nfs/dbraw/zinc/87/97/36/547879736.db2.gz CYUODRJADAJTAM-MAUKXSAKSA-N 1 2 361.442 2.143 20 5 FEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000184792004 547879738 /nfs/dbraw/zinc/87/97/38/547879738.db2.gz CYUODRJADAJTAM-MAUKXSAKSA-N 1 2 361.442 2.143 20 5 FEBDLO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC000185772554 548034002 /nfs/dbraw/zinc/03/40/02/548034002.db2.gz OULKSAXYRHILNX-UHFFFAOYSA-N 1 2 359.386 2.406 20 5 FEBDLO C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000485594602 561323516 /nfs/dbraw/zinc/32/35/16/561323516.db2.gz VIUNYYFXSHHKMT-GFCCVEGCSA-N 1 2 373.413 2.156 20 5 FEBDLO COc1ccc(OCC[N@@H+]2CCO[C@H](COCC3CC3)C2)c([N+](=O)[O-])c1 ZINC000485901697 561331714 /nfs/dbraw/zinc/33/17/14/561331714.db2.gz SXTHBCZOUBQWGA-INIZCTEOSA-N 1 2 366.414 2.110 20 5 FEBDLO COc1ccc(OCC[N@H+]2CCO[C@H](COCC3CC3)C2)c([N+](=O)[O-])c1 ZINC000485901697 561331715 /nfs/dbraw/zinc/33/17/15/561331715.db2.gz SXTHBCZOUBQWGA-INIZCTEOSA-N 1 2 366.414 2.110 20 5 FEBDLO COC[C@@H](C)n1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000186637195 548163402 /nfs/dbraw/zinc/16/34/02/548163402.db2.gz YWRAPBUZEUJTEV-GFCCVEGCSA-N 1 2 370.369 2.437 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(N3CC[NH+](Cc4ccncc4)CC3)n2)cc1 ZINC000486424520 561346760 /nfs/dbraw/zinc/34/67/60/561346760.db2.gz KJPJWHKOZIRQBF-UHFFFAOYSA-N 1 2 366.381 2.362 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000246219165 549081640 /nfs/dbraw/zinc/08/16/40/549081640.db2.gz ZICJQOIABASFOW-WRWORJQWSA-N 1 2 369.727 2.430 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000246219165 549081641 /nfs/dbraw/zinc/08/16/41/549081641.db2.gz ZICJQOIABASFOW-WRWORJQWSA-N 1 2 369.727 2.430 20 5 FEBDLO COC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000246433704 549132258 /nfs/dbraw/zinc/13/22/58/549132258.db2.gz KMVOZAKTLXRQSI-HWPZZCPQSA-N 1 2 369.805 2.460 20 5 FEBDLO COC(=O)[C@@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000246433704 549132261 /nfs/dbraw/zinc/13/22/61/549132261.db2.gz KMVOZAKTLXRQSI-HWPZZCPQSA-N 1 2 369.805 2.460 20 5 FEBDLO COCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCO[C@H]1C ZINC000488844183 561398064 /nfs/dbraw/zinc/39/80/64/561398064.db2.gz NRDVYTTZEHUXCD-DZGCQCFKSA-N 1 2 374.397 2.047 20 5 FEBDLO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H](C)C1 ZINC000247188045 549295717 /nfs/dbraw/zinc/29/57/17/549295717.db2.gz KWLUPQNVAWYQGC-DZGCQCFKSA-N 1 2 365.430 2.167 20 5 FEBDLO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H](C)C1 ZINC000247188045 549295719 /nfs/dbraw/zinc/29/57/19/549295719.db2.gz KWLUPQNVAWYQGC-DZGCQCFKSA-N 1 2 365.430 2.167 20 5 FEBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249043191 549542826 /nfs/dbraw/zinc/54/28/26/549542826.db2.gz VMTCXBWAQAEPFF-PXAZEXFGSA-N 1 2 360.370 2.197 20 5 FEBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249043191 549542828 /nfs/dbraw/zinc/54/28/28/549542828.db2.gz VMTCXBWAQAEPFF-PXAZEXFGSA-N 1 2 360.370 2.197 20 5 FEBDLO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H](C)O1 ZINC000253603832 549698111 /nfs/dbraw/zinc/69/81/11/549698111.db2.gz NMBQYUBSAFPBMV-JHJVBQTASA-N 1 2 353.444 2.370 20 5 FEBDLO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262308087 549809588 /nfs/dbraw/zinc/80/95/88/549809588.db2.gz CMRPVZCKTGDMOK-HUUCEWRRSA-N 1 2 359.357 2.315 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263973920 549962150 /nfs/dbraw/zinc/96/21/50/549962150.db2.gz YHYTWRMSPJVYNX-GFCCVEGCSA-N 1 2 359.386 2.416 20 5 FEBDLO Cc1nc2sccn2c1C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000268253138 550040443 /nfs/dbraw/zinc/04/04/43/550040443.db2.gz PFJOSMOZKOIRTF-UHFFFAOYSA-N 1 2 359.411 2.343 20 5 FEBDLO Cc1nc2sccn2c1C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000268253138 550040445 /nfs/dbraw/zinc/04/04/45/550040445.db2.gz PFJOSMOZKOIRTF-UHFFFAOYSA-N 1 2 359.411 2.343 20 5 FEBDLO CCOc1cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])cc1OC ZINC000492727441 561452500 /nfs/dbraw/zinc/45/25/00/561452500.db2.gz BJHOPTOOAPXGSL-SNVBAGLBSA-N 1 2 360.370 2.013 20 5 FEBDLO CCOc1cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])cc1OC ZINC000492727441 561452501 /nfs/dbraw/zinc/45/25/01/561452501.db2.gz BJHOPTOOAPXGSL-SNVBAGLBSA-N 1 2 360.370 2.013 20 5 FEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C ZINC000493767064 561458062 /nfs/dbraw/zinc/45/80/62/561458062.db2.gz LVWDWPOQWUCQRA-KBPBESRZSA-N 1 2 355.460 2.315 20 5 FEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C ZINC000493767064 561458063 /nfs/dbraw/zinc/45/80/63/561458063.db2.gz LVWDWPOQWUCQRA-KBPBESRZSA-N 1 2 355.460 2.315 20 5 FEBDLO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000275501565 550572545 /nfs/dbraw/zinc/57/25/45/550572545.db2.gz OCUWZLIEVCPGHM-AWEZNQCLSA-N 1 2 365.433 2.232 20 5 FEBDLO COc1cc(C(=O)N2CC[NH+](Cc3ccco3)CC2)cc([N+](=O)[O-])c1C ZINC000276631809 550579762 /nfs/dbraw/zinc/57/97/62/550579762.db2.gz XLKUAAFUKULCFB-UHFFFAOYSA-N 1 2 359.382 2.463 20 5 FEBDLO O=C(NCC1([NH+]2CCOCC2)CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000277578235 550687029 /nfs/dbraw/zinc/68/70/29/550687029.db2.gz BGDXHGMXCNJJDI-UHFFFAOYSA-N 1 2 373.331 2.208 20 5 FEBDLO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000278626572 550805603 /nfs/dbraw/zinc/80/56/03/550805603.db2.gz HTMGOYXVOLVPGK-UHFFFAOYSA-N 1 2 369.385 2.283 20 5 FEBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000279436722 550890091 /nfs/dbraw/zinc/89/00/91/550890091.db2.gz ZKSMCPFZEHMREY-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000279436722 550890093 /nfs/dbraw/zinc/89/00/93/550890093.db2.gz ZKSMCPFZEHMREY-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@H](O)COc1cccc3[nH]ccc31)CC2 ZINC000495443603 561488022 /nfs/dbraw/zinc/48/80/22/561488022.db2.gz DLUWJLWZTRJYJN-HNNXBMFYSA-N 1 2 368.393 2.269 20 5 FEBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@H](O)COc1cccc3[nH]ccc31)CC2 ZINC000495443603 561488023 /nfs/dbraw/zinc/48/80/23/561488023.db2.gz DLUWJLWZTRJYJN-HNNXBMFYSA-N 1 2 368.393 2.269 20 5 FEBDLO C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC2(CCOCC2)O1 ZINC000279925456 550943549 /nfs/dbraw/zinc/94/35/49/550943549.db2.gz WLRXHOQMHASYJF-ZDUSSCGKSA-N 1 2 374.397 2.415 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC2(CCOCC2)O1 ZINC000279925456 550943550 /nfs/dbraw/zinc/94/35/50/550943550.db2.gz WLRXHOQMHASYJF-ZDUSSCGKSA-N 1 2 374.397 2.415 20 5 FEBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C[C@@H](C)O2 ZINC000279986522 550949940 /nfs/dbraw/zinc/94/99/40/550949940.db2.gz ZVPWGZFLIDOEPN-VFVRVIDISA-N 1 2 374.397 2.413 20 5 FEBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C[C@@H](C)O2 ZINC000279986522 550949941 /nfs/dbraw/zinc/94/99/41/550949941.db2.gz ZVPWGZFLIDOEPN-VFVRVIDISA-N 1 2 374.397 2.413 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000280286269 550976818 /nfs/dbraw/zinc/97/68/18/550976818.db2.gz DVIHSCVTUMWHIS-XAYKYTGQSA-N 1 2 363.414 2.110 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000280286269 550976820 /nfs/dbraw/zinc/97/68/20/550976820.db2.gz DVIHSCVTUMWHIS-XAYKYTGQSA-N 1 2 363.414 2.110 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)n1 ZINC000280722782 551025309 /nfs/dbraw/zinc/02/53/09/551025309.db2.gz JDHWEZLGEMDCMO-MSOLQXFVSA-N 1 2 354.410 2.388 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)n1 ZINC000280722782 551025310 /nfs/dbraw/zinc/02/53/10/551025310.db2.gz JDHWEZLGEMDCMO-MSOLQXFVSA-N 1 2 354.410 2.388 20 5 FEBDLO Cc1cc(NCC(=O)NCC(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000280968381 551050360 /nfs/dbraw/zinc/05/03/60/551050360.db2.gz LNBUQKSRBHQIFA-UHFFFAOYSA-N 1 2 351.313 2.153 20 5 FEBDLO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1nc(-c2nc[nH]n2)no1 ZINC000283048390 551303471 /nfs/dbraw/zinc/30/34/71/551303471.db2.gz ISGMTZNDXFEVFV-LBPRGKRZSA-N 1 2 361.337 2.389 20 5 FEBDLO C[N@@H+]1C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H](c2ccccc2)C1 ZINC000497801935 561509181 /nfs/dbraw/zinc/50/91/81/561509181.db2.gz DZUDCVXMJGIVTM-RDJZCZTQSA-N 1 2 365.393 2.299 20 5 FEBDLO C[N@H+]1C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H](c2ccccc2)C1 ZINC000497801935 561509182 /nfs/dbraw/zinc/50/91/82/561509182.db2.gz DZUDCVXMJGIVTM-RDJZCZTQSA-N 1 2 365.393 2.299 20 5 FEBDLO COCCOCC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284765761 551627817 /nfs/dbraw/zinc/62/78/17/551627817.db2.gz MKRMGWCNAUNOPG-UHFFFAOYSA-N 1 2 359.220 2.378 20 5 FEBDLO COCCOCC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284765761 551627819 /nfs/dbraw/zinc/62/78/19/551627819.db2.gz MKRMGWCNAUNOPG-UHFFFAOYSA-N 1 2 359.220 2.378 20 5 FEBDLO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H](C)[S@]1=O ZINC000286074616 551845720 /nfs/dbraw/zinc/84/57/20/551845720.db2.gz SBECFCUPTACZKW-RNONLVERSA-N 1 2 371.434 2.294 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H](C)[S@]1=O ZINC000286074616 551845722 /nfs/dbraw/zinc/84/57/22/551845722.db2.gz SBECFCUPTACZKW-RNONLVERSA-N 1 2 371.434 2.294 20 5 FEBDLO CN(C)C(=O)NCC[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000499253620 561546845 /nfs/dbraw/zinc/54/68/45/561546845.db2.gz RQATYVHLMJPPAS-UHFFFAOYSA-N 1 2 363.443 2.421 20 5 FEBDLO CN(C)C(=O)NCC[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000499253620 561546846 /nfs/dbraw/zinc/54/68/46/561546846.db2.gz RQATYVHLMJPPAS-UHFFFAOYSA-N 1 2 363.443 2.421 20 5 FEBDLO COCC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccccn1 ZINC000287192559 551974752 /nfs/dbraw/zinc/97/47/52/551974752.db2.gz CZQFINYHNUYCPQ-UHFFFAOYSA-N 1 2 374.397 2.086 20 5 FEBDLO COCC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccccn1 ZINC000287192559 551974753 /nfs/dbraw/zinc/97/47/53/551974753.db2.gz CZQFINYHNUYCPQ-UHFFFAOYSA-N 1 2 374.397 2.086 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000287495986 552011674 /nfs/dbraw/zinc/01/16/74/552011674.db2.gz UJEUCTKZDWHCMX-YOEHRIQHSA-N 1 2 361.442 2.194 20 5 FEBDLO O=C(C1CC[NH+](CC(F)F)CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000288319884 552132738 /nfs/dbraw/zinc/13/27/38/552132738.db2.gz ZOBSQTOOWAOIRQ-UHFFFAOYSA-N 1 2 369.368 2.162 20 5 FEBDLO COc1ccc(S(=O)(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)cc1[N+](=O)[O-] ZINC000288907274 552234549 /nfs/dbraw/zinc/23/45/49/552234549.db2.gz KFPYVVYYLUWRHZ-CYBMUJFWSA-N 1 2 354.388 2.002 20 5 FEBDLO COc1ccc(C[NH2+]Cc2cc(S(C)(=O)=O)ccc2F)cc1[N+](=O)[O-] ZINC000500397377 561571542 /nfs/dbraw/zinc/57/15/42/561571542.db2.gz AZRTYQYSSLAHOH-UHFFFAOYSA-N 1 2 368.386 2.436 20 5 FEBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCC[C@H]2CO)c1 ZINC000290025634 552416092 /nfs/dbraw/zinc/41/60/92/552416092.db2.gz PVDKYGFJAHIXFM-NSHDSACASA-N 1 2 362.167 2.156 20 5 FEBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCC[C@H]2CO)c1 ZINC000290025634 552416094 /nfs/dbraw/zinc/41/60/94/552416094.db2.gz PVDKYGFJAHIXFM-NSHDSACASA-N 1 2 362.167 2.156 20 5 FEBDLO Cc1cc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c(F)cc1[N+](=O)[O-] ZINC000290965449 552569600 /nfs/dbraw/zinc/56/96/00/552569600.db2.gz NZIQELSLGGIVHN-UHFFFAOYSA-N 1 2 371.376 2.046 20 5 FEBDLO COc1cc[nH+]cc1CNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000293002568 552779375 /nfs/dbraw/zinc/77/93/75/552779375.db2.gz NXUFDHOCYFMBFA-UHFFFAOYSA-N 1 2 351.384 2.094 20 5 FEBDLO O=c1nc([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)[nH][nH]1 ZINC000293440923 552824072 /nfs/dbraw/zinc/82/40/72/552824072.db2.gz BWEVJAIOMIBAFG-SECBINFHSA-N 1 2 371.319 2.405 20 5 FEBDLO O=c1nc([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)[nH][nH]1 ZINC000293440923 552824073 /nfs/dbraw/zinc/82/40/73/552824073.db2.gz BWEVJAIOMIBAFG-SECBINFHSA-N 1 2 371.319 2.405 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000295443196 553008075 /nfs/dbraw/zinc/00/80/75/553008075.db2.gz YMWJPPRQNXXBIB-CQSZACIVSA-N 1 2 364.427 2.409 20 5 FEBDLO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000295721693 553050081 /nfs/dbraw/zinc/05/00/81/553050081.db2.gz VHNKAXQZSIZNFQ-CANCMXDXSA-N 1 2 368.455 2.432 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1(C)C ZINC000296037324 553093874 /nfs/dbraw/zinc/09/38/74/553093874.db2.gz YDWUKCYUKUGTNZ-HNNXBMFYSA-N 1 2 362.361 2.456 20 5 FEBDLO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296498187 553170350 /nfs/dbraw/zinc/17/03/50/553170350.db2.gz BLKHXUGAAHYLSM-GRDNDAEWSA-N 1 2 362.430 2.160 20 5 FEBDLO Cc1cc(N2CCN(c3ncc([N+](=O)[O-])c(C)n3)CC2)nc(C(C)C)[nH+]1 ZINC000296639742 553191970 /nfs/dbraw/zinc/19/19/70/553191970.db2.gz WJYPAYBYVAFGGQ-UHFFFAOYSA-N 1 2 357.418 2.242 20 5 FEBDLO CCCNC(=O)C[N@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298078177 553381046 /nfs/dbraw/zinc/38/10/46/553381046.db2.gz JWSSQJZVEJDIEI-ZDUSSCGKSA-N 1 2 350.419 2.160 20 5 FEBDLO CCCNC(=O)C[N@@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298078177 553381047 /nfs/dbraw/zinc/38/10/47/553381047.db2.gz JWSSQJZVEJDIEI-ZDUSSCGKSA-N 1 2 350.419 2.160 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2ccncn2)CC1 ZINC000298143487 553389761 /nfs/dbraw/zinc/38/97/61/553389761.db2.gz LSGXSFROTUAAFH-UHFFFAOYSA-N 1 2 371.397 2.212 20 5 FEBDLO CC(C)C(=O)NC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000298758042 553468901 /nfs/dbraw/zinc/46/89/01/553468901.db2.gz OZGZMOMHCKOMHP-UHFFFAOYSA-N 1 2 373.413 2.381 20 5 FEBDLO Cc1cc(NCC2(C(N)=O)CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301831046 553683537 /nfs/dbraw/zinc/68/35/37/553683537.db2.gz QDAHXKQGOIURLR-UHFFFAOYSA-N 1 2 371.397 2.054 20 5 FEBDLO CS(=O)(=O)c1cccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000301906780 553690937 /nfs/dbraw/zinc/69/09/37/553690937.db2.gz ZIZZQZDQBWSHPZ-GFCCVEGCSA-N 1 2 362.411 2.084 20 5 FEBDLO COc1ccnc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000508041652 561749321 /nfs/dbraw/zinc/74/93/21/561749321.db2.gz CSGUSLDIIOXNHN-UHFFFAOYSA-N 1 2 353.338 2.114 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000331189501 554228375 /nfs/dbraw/zinc/22/83/75/554228375.db2.gz VXQHBQVSVMVCMO-CHWSQXEVSA-N 1 2 353.444 2.073 20 5 FEBDLO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000331232365 554234218 /nfs/dbraw/zinc/23/42/18/554234218.db2.gz RDBFRCFQRWGLPE-LLVKDONJSA-N 1 2 361.851 2.399 20 5 FEBDLO CC(C)[N@H+]1CCC[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000331232365 554234221 /nfs/dbraw/zinc/23/42/21/554234221.db2.gz RDBFRCFQRWGLPE-LLVKDONJSA-N 1 2 361.851 2.399 20 5 FEBDLO C[NH+](C)CCOc1ccccc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000509831613 561815378 /nfs/dbraw/zinc/81/53/78/561815378.db2.gz FTXJSGLBIRXLQY-UHFFFAOYSA-N 1 2 359.382 2.171 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000510445597 561834855 /nfs/dbraw/zinc/83/48/55/561834855.db2.gz RBVVRBYALXVFFT-OAHLLOKOSA-N 1 2 364.427 2.375 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000511272021 561863351 /nfs/dbraw/zinc/86/33/51/561863351.db2.gz NSFDTZKEFMQCKJ-AWEZNQCLSA-N 1 2 350.400 2.066 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3C[N@@H+](C(C)C)CCO3)n2)c1 ZINC000351222279 554845012 /nfs/dbraw/zinc/84/50/12/554845012.db2.gz MMWGYQHFTIYFOV-HNNXBMFYSA-N 1 2 362.386 2.359 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3C[N@H+](C(C)C)CCO3)n2)c1 ZINC000351222279 554845014 /nfs/dbraw/zinc/84/50/14/554845014.db2.gz MMWGYQHFTIYFOV-HNNXBMFYSA-N 1 2 362.386 2.359 20 5 FEBDLO COCc1cc([N+](=O)[O-])ccc1N1CC[C@H]([N@H+](C)Cc2noc(C)n2)C1 ZINC000361783672 554934694 /nfs/dbraw/zinc/93/46/94/554934694.db2.gz NEXLVBBRXXKMPS-HNNXBMFYSA-N 1 2 361.402 2.143 20 5 FEBDLO COCc1cc([N+](=O)[O-])ccc1N1CC[C@H]([N@@H+](C)Cc2noc(C)n2)C1 ZINC000361783672 554934695 /nfs/dbraw/zinc/93/46/95/554934695.db2.gz NEXLVBBRXXKMPS-HNNXBMFYSA-N 1 2 361.402 2.143 20 5 FEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363546910 555134098 /nfs/dbraw/zinc/13/40/98/555134098.db2.gz SGQXGYXJXZCWEA-DZGCQCFKSA-N 1 2 365.455 2.009 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCOC4(CCOCC4)CC3)n2)cc1 ZINC000364260088 555280152 /nfs/dbraw/zinc/28/01/52/555280152.db2.gz IMQTUMLWBZLYAI-UHFFFAOYSA-N 1 2 374.397 2.416 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCOC4(CCOCC4)CC3)n2)cc1 ZINC000364260088 555280155 /nfs/dbraw/zinc/28/01/55/555280155.db2.gz IMQTUMLWBZLYAI-UHFFFAOYSA-N 1 2 374.397 2.416 20 5 FEBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3nnc(C4CC4)n3C3CC3)C2)c1 ZINC000364344313 555295617 /nfs/dbraw/zinc/29/56/17/555295617.db2.gz QQCSCPVGHIMHGV-CQSZACIVSA-N 1 2 357.418 2.432 20 5 FEBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3nnc(C4CC4)n3C3CC3)C2)c1 ZINC000364344313 555295619 /nfs/dbraw/zinc/29/56/19/555295619.db2.gz QQCSCPVGHIMHGV-CQSZACIVSA-N 1 2 357.418 2.432 20 5 FEBDLO O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccccc1-n1cc[nH+]c1 ZINC000364456604 555317479 /nfs/dbraw/zinc/31/74/79/555317479.db2.gz CQVKNZPUSQIPAQ-UHFFFAOYSA-N 1 2 352.350 2.476 20 5 FEBDLO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000364689531 555375835 /nfs/dbraw/zinc/37/58/35/555375835.db2.gz XYVBOMRFLHWXNX-GJZGRUSLSA-N 1 2 355.354 2.175 20 5 FEBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2nnc3n2CCOC3)o1 ZINC000364842467 555413269 /nfs/dbraw/zinc/41/32/69/555413269.db2.gz GAZRMUSUZOCOJO-UHFFFAOYSA-N 1 2 355.354 2.266 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000365593830 555618000 /nfs/dbraw/zinc/61/80/00/555618000.db2.gz XPVIEKRJSFUZRN-NSHDSACASA-N 1 2 370.818 2.046 20 5 FEBDLO C[C@@H](C(=O)N1CC[NH+](Cc2cccnc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000514705186 561975207 /nfs/dbraw/zinc/97/52/07/561975207.db2.gz PSCAHDPJQFGXFD-OAHLLOKOSA-N 1 2 354.410 2.438 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000369735648 556680881 /nfs/dbraw/zinc/68/08/81/556680881.db2.gz HYGIEWYXHWUIBW-LBPRGKRZSA-N 1 2 372.381 2.119 20 5 FEBDLO O=C(NCCc1ccccc1[N+](=O)[O-])NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000369881800 556720281 /nfs/dbraw/zinc/72/02/81/556720281.db2.gz UOQQCWNRUUVICG-UHFFFAOYSA-N 1 2 366.381 2.217 20 5 FEBDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000371091583 557072127 /nfs/dbraw/zinc/07/21/27/557072127.db2.gz ZYXUUEKBWNSMMQ-QGZVFWFLSA-N 1 2 361.423 2.201 20 5 FEBDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000371091583 557072129 /nfs/dbraw/zinc/07/21/29/557072129.db2.gz ZYXUUEKBWNSMMQ-QGZVFWFLSA-N 1 2 361.423 2.201 20 5 FEBDLO COC(=O)c1ccoc1CC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000371389507 557170801 /nfs/dbraw/zinc/17/08/01/557170801.db2.gz QVZQLSCOBGZRDY-UHFFFAOYSA-N 1 2 362.386 2.163 20 5 FEBDLO Cc1sc(S(=O)(=O)NCc2cn3cc(C)ccc3[nH+]2)cc1[N+](=O)[O-] ZINC000517635006 562094151 /nfs/dbraw/zinc/09/41/51/562094151.db2.gz SILWCNMISIMDNC-UHFFFAOYSA-N 1 2 366.424 2.399 20 5 FEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000372379796 557454928 /nfs/dbraw/zinc/45/49/28/557454928.db2.gz IOJRCYPGLOFEAA-ZYHUDNBSSA-N 1 2 364.793 2.114 20 5 FEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000372379796 557454930 /nfs/dbraw/zinc/45/49/30/557454930.db2.gz IOJRCYPGLOFEAA-ZYHUDNBSSA-N 1 2 364.793 2.114 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CCn2cc[nH+]c2-c2ccncc2)cc1 ZINC000373266338 557661850 /nfs/dbraw/zinc/66/18/50/557661850.db2.gz FHXRXNPIXAOWRH-UHFFFAOYSA-N 1 2 358.379 2.327 20 5 FEBDLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373314694 557670762 /nfs/dbraw/zinc/67/07/62/557670762.db2.gz ZTUXIDZTMANPDV-UHFFFAOYSA-N 1 2 366.381 2.454 20 5 FEBDLO COc1ccccc1[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000374370652 557873296 /nfs/dbraw/zinc/87/32/96/557873296.db2.gz FSAVTRGLHGPMRV-QGZVFWFLSA-N 1 2 371.393 2.155 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc([N+](=O)[O-])c1F ZINC000374751711 557925579 /nfs/dbraw/zinc/92/55/79/557925579.db2.gz IABJQYOQYRIHMN-LLVKDONJSA-N 1 2 354.363 2.291 20 5 FEBDLO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000374905958 557948916 /nfs/dbraw/zinc/94/89/16/557948916.db2.gz AZLCZGLXVPSACS-ZDUSSCGKSA-N 1 2 362.773 2.136 20 5 FEBDLO Cn1nccc1C1=CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000375635662 558060257 /nfs/dbraw/zinc/06/02/57/558060257.db2.gz FPHQEUKNAUVDEN-GOSISDBHSA-N 1 2 367.409 2.223 20 5 FEBDLO Cn1nccc1C1=CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000375635662 558060259 /nfs/dbraw/zinc/06/02/59/558060259.db2.gz FPHQEUKNAUVDEN-GOSISDBHSA-N 1 2 367.409 2.223 20 5 FEBDLO Cc1nc([C@H]2CCC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)no1 ZINC000375764095 558079183 /nfs/dbraw/zinc/07/91/83/558079183.db2.gz LYJFIESSUAODPL-ZDUSSCGKSA-N 1 2 359.386 2.413 20 5 FEBDLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)no1 ZINC000375764095 558079184 /nfs/dbraw/zinc/07/91/84/558079184.db2.gz LYJFIESSUAODPL-ZDUSSCGKSA-N 1 2 359.386 2.413 20 5 FEBDLO Cc1[nH]c(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000522050302 562190155 /nfs/dbraw/zinc/19/01/55/562190155.db2.gz GWHFLACJBYDWOZ-CYBMUJFWSA-N 1 2 360.370 2.439 20 5 FEBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000522371045 562197598 /nfs/dbraw/zinc/19/75/98/562197598.db2.gz ZGTDETCPUWDRRQ-UHFFFAOYSA-N 1 2 366.333 2.439 20 5 FEBDLO C[NH+](C)[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCOc2ccccc21 ZINC000378427660 558554576 /nfs/dbraw/zinc/55/45/76/558554576.db2.gz YDOOOGYBOJPGIG-SFHVURJKSA-N 1 2 357.366 2.479 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000408182928 558654595 /nfs/dbraw/zinc/65/45/95/558654595.db2.gz OCFQZHOONMIICC-BBRMVZONSA-N 1 2 367.471 2.405 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000408182928 558654596 /nfs/dbraw/zinc/65/45/96/558654596.db2.gz OCFQZHOONMIICC-BBRMVZONSA-N 1 2 367.471 2.405 20 5 FEBDLO O=C(NCCCCNc1cccc[nH+]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000524686453 562232166 /nfs/dbraw/zinc/23/21/66/562232166.db2.gz XMJHKQBTQHWMJG-UHFFFAOYSA-N 1 2 358.354 2.341 20 5 FEBDLO Cc1[nH+]c2cc(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)ccc2n1C ZINC000524746180 562233574 /nfs/dbraw/zinc/23/35/74/562233574.db2.gz KBUDBODOZKVXQP-UHFFFAOYSA-N 1 2 367.365 2.158 20 5 FEBDLO Cc1cc(NC(=O)C(=O)NCc2[nH+]ccn2CC(C)C)ccc1[N+](=O)[O-] ZINC000411252685 558861417 /nfs/dbraw/zinc/86/14/17/558861417.db2.gz KLJIIYDLBMJYNF-UHFFFAOYSA-N 1 2 359.386 2.011 20 5 FEBDLO COC(=O)C(C)(C)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000525977587 562261980 /nfs/dbraw/zinc/26/19/80/562261980.db2.gz BRKPENPIVBGIAL-UHFFFAOYSA-N 1 2 369.443 2.003 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCCc3c(cnn3C)C2)cccc1[N+](=O)[O-] ZINC000411861777 558978028 /nfs/dbraw/zinc/97/80/28/558978028.db2.gz XLWGYTIDTBUNAW-ZDUSSCGKSA-N 1 2 357.414 2.412 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCCc3c(cnn3C)C2)cccc1[N+](=O)[O-] ZINC000411861777 558978029 /nfs/dbraw/zinc/97/80/29/558978029.db2.gz XLWGYTIDTBUNAW-ZDUSSCGKSA-N 1 2 357.414 2.412 20 5 FEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412393145 559032906 /nfs/dbraw/zinc/03/29/06/559032906.db2.gz DABRJRSECISYMH-JTQLQIEISA-N 1 2 350.350 2.379 20 5 FEBDLO Cn1ncc2c1CCCN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)C2 ZINC000412458909 559037038 /nfs/dbraw/zinc/03/70/38/559037038.db2.gz LCCRMKHEEPQLRS-UHFFFAOYSA-N 1 2 366.381 2.103 20 5 FEBDLO O=C([C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1)N1CCOCC1 ZINC000413041728 559071803 /nfs/dbraw/zinc/07/18/03/559071803.db2.gz LAUNCSRJTLYSSP-OAHLLOKOSA-N 1 2 370.409 2.218 20 5 FEBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000413967728 559143947 /nfs/dbraw/zinc/14/39/47/559143947.db2.gz QUTZPZPQWGJTCF-UHFFFAOYSA-N 1 2 362.430 2.010 20 5 FEBDLO C[NH2+]Cc1noc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)n1 ZINC000414497828 559168818 /nfs/dbraw/zinc/16/88/18/559168818.db2.gz GVLRATXFXSHWOZ-CYBMUJFWSA-N 1 2 367.793 2.478 20 5 FEBDLO Cc1cc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c(C)cc1[N+](=O)[O-] ZINC000416479794 559316327 /nfs/dbraw/zinc/31/63/27/559316327.db2.gz MNLKGWDRQPDWMG-HNNXBMFYSA-N 1 2 364.427 2.375 20 5 FEBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420926860 559512011 /nfs/dbraw/zinc/51/20/11/559512011.db2.gz AMOMRBSRBGOPGI-BXUZGUMPSA-N 1 2 362.386 2.178 20 5 FEBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420926860 559512012 /nfs/dbraw/zinc/51/20/12/559512012.db2.gz AMOMRBSRBGOPGI-BXUZGUMPSA-N 1 2 362.386 2.178 20 5 FEBDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)o1 ZINC000421390159 559541007 /nfs/dbraw/zinc/54/10/07/559541007.db2.gz SAXPRVZEGAUZLX-UHFFFAOYSA-N 1 2 373.818 2.252 20 5 FEBDLO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)o1 ZINC000421390159 559541008 /nfs/dbraw/zinc/54/10/08/559541008.db2.gz SAXPRVZEGAUZLX-UHFFFAOYSA-N 1 2 373.818 2.252 20 5 FEBDLO Cc1cc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cc(C)[nH+]1 ZINC000421574728 559545557 /nfs/dbraw/zinc/54/55/57/559545557.db2.gz HGJTWGWSVLOEJX-AWEZNQCLSA-N 1 2 372.381 2.121 20 5 FEBDLO CCN1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000421880793 559555395 /nfs/dbraw/zinc/55/53/95/559555395.db2.gz ZCHWNULUOGYFGU-INIZCTEOSA-N 1 2 357.414 2.454 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](n4ccnn4)C3)o2)cc1 ZINC000425499497 559705730 /nfs/dbraw/zinc/70/57/30/559705730.db2.gz JFICAQNOYZJTMG-CQSZACIVSA-N 1 2 355.358 2.073 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](n4ccnn4)C3)o2)cc1 ZINC000425499497 559705731 /nfs/dbraw/zinc/70/57/31/559705731.db2.gz JFICAQNOYZJTMG-CQSZACIVSA-N 1 2 355.358 2.073 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H](n2ccnn2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000425499838 559705758 /nfs/dbraw/zinc/70/57/58/559705758.db2.gz KODCZQSNLDNYLY-LBPRGKRZSA-N 1 2 364.793 2.115 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H](n2ccnn2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000425499838 559705759 /nfs/dbraw/zinc/70/57/59/559705759.db2.gz KODCZQSNLDNYLY-LBPRGKRZSA-N 1 2 364.793 2.115 20 5 FEBDLO CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000426037083 559728321 /nfs/dbraw/zinc/72/83/21/559728321.db2.gz QVQWIEZLLNRVQG-GOEBONIOSA-N 1 2 364.446 2.374 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000426037083 559728322 /nfs/dbraw/zinc/72/83/22/559728322.db2.gz QVQWIEZLLNRVQG-GOEBONIOSA-N 1 2 364.446 2.374 20 5 FEBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])cc1Br ZINC000428355257 559773793 /nfs/dbraw/zinc/77/37/93/559773793.db2.gz OLGIUWONFXKERH-VIFPVBQESA-N 1 2 365.187 2.299 20 5 FEBDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000432881137 559867038 /nfs/dbraw/zinc/86/70/38/559867038.db2.gz QERQRAKRMQOGGC-LRDDRELGSA-N 1 2 362.361 2.046 20 5 FEBDLO COc1cc(C[N@H+](C)CCN2CCOC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000434697654 559906082 /nfs/dbraw/zinc/90/60/82/559906082.db2.gz AFNDKJKFORQDCZ-UHFFFAOYSA-N 1 2 355.410 2.285 20 5 FEBDLO COc1cc(C[N@@H+](C)CCN2CCOC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000434697654 559906083 /nfs/dbraw/zinc/90/60/83/559906083.db2.gz AFNDKJKFORQDCZ-UHFFFAOYSA-N 1 2 355.410 2.285 20 5 FEBDLO Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000440496398 560012389 /nfs/dbraw/zinc/01/23/89/560012389.db2.gz RYLFJWDXCSGWJH-HNNXBMFYSA-N 1 2 355.398 2.423 20 5 FEBDLO Cc1cccc(NC(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000440496398 560012390 /nfs/dbraw/zinc/01/23/90/560012390.db2.gz RYLFJWDXCSGWJH-HNNXBMFYSA-N 1 2 355.398 2.423 20 5 FEBDLO O=C(NC[C@H]1CC[NH2+]CC1(F)F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000449652540 560235662 /nfs/dbraw/zinc/23/56/62/560235662.db2.gz QGJAXNZDBKFHNJ-LLVKDONJSA-N 1 2 354.357 2.144 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CCN1C ZINC000450494187 560263966 /nfs/dbraw/zinc/26/39/66/560263966.db2.gz JSKABBXBQLADBT-INIZCTEOSA-N 1 2 352.398 2.370 20 5 FEBDLO CCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OC ZINC000450608098 560267872 /nfs/dbraw/zinc/26/78/72/560267872.db2.gz BLTDZCRLHMAQFW-CYBMUJFWSA-N 1 2 360.370 2.242 20 5 FEBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451428025 560306518 /nfs/dbraw/zinc/30/65/18/560306518.db2.gz KDRVLQACYVPYOC-BJOHPYRUSA-N 1 2 354.313 2.408 20 5 FEBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451428025 560306519 /nfs/dbraw/zinc/30/65/19/560306519.db2.gz KDRVLQACYVPYOC-BJOHPYRUSA-N 1 2 354.313 2.408 20 5 FEBDLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000451876024 560333874 /nfs/dbraw/zinc/33/38/74/560333874.db2.gz XGYFDJUIEAEJGR-GFCCVEGCSA-N 1 2 374.363 2.349 20 5 FEBDLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000451876024 560333875 /nfs/dbraw/zinc/33/38/75/560333875.db2.gz XGYFDJUIEAEJGR-GFCCVEGCSA-N 1 2 374.363 2.349 20 5 FEBDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000451927172 560338273 /nfs/dbraw/zinc/33/82/73/560338273.db2.gz JIPXQWJRNQEGTA-GFCCVEGCSA-N 1 2 352.416 2.468 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000453986191 560419553 /nfs/dbraw/zinc/41/95/53/560419553.db2.gz VTVPJXJGXYVCAW-ZYHUDNBSSA-N 1 2 357.370 2.169 20 5 FEBDLO CN(C)[C@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)c1c[nH+]cn1C ZINC000456155337 560508971 /nfs/dbraw/zinc/50/89/71/560508971.db2.gz XQRVHMAKCCMBDD-YJBOKZPZSA-N 1 2 371.441 2.337 20 5 FEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000456365797 560517580 /nfs/dbraw/zinc/51/75/80/560517580.db2.gz WGXRBPXPANQPNR-LLVKDONJSA-N 1 2 364.427 2.387 20 5 FEBDLO Cc1[nH+]c2cc(NC(=O)CCn3cc([N+](=O)[O-])cn3)ccc2n1[C@@H](C)CO ZINC000456730616 560531210 /nfs/dbraw/zinc/53/12/10/560531210.db2.gz UXNRICKFQGAGLR-NSHDSACASA-N 1 2 372.385 2.032 20 5 FEBDLO COC(=O)COc1ccc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000459625178 560698436 /nfs/dbraw/zinc/69/84/36/560698436.db2.gz XFVVUBSTKSYKKA-UHFFFAOYSA-N 1 2 372.377 2.410 20 5 FEBDLO Cc1cc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461937900 560788846 /nfs/dbraw/zinc/78/88/46/560788846.db2.gz RHOSKAYFMXJDJS-AWEZNQCLSA-N 1 2 364.421 2.175 20 5 FEBDLO CC/C=C\CC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000466835182 560896983 /nfs/dbraw/zinc/89/69/83/560896983.db2.gz NWQHVIILSPDHEY-ARJAWSKDSA-N 1 2 353.444 2.257 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccnn1C ZINC000471063204 560997167 /nfs/dbraw/zinc/99/71/67/560997167.db2.gz NVKSTMHMTCJYCO-SNVBAGLBSA-N 1 2 351.794 2.441 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccnn1C ZINC000471063204 560997168 /nfs/dbraw/zinc/99/71/68/560997168.db2.gz NVKSTMHMTCJYCO-SNVBAGLBSA-N 1 2 351.794 2.441 20 5 FEBDLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000475087054 561090041 /nfs/dbraw/zinc/09/00/41/561090041.db2.gz JBZSBUYGBGEUJL-WFASDCNBSA-N 1 2 351.403 2.489 20 5 FEBDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475581008 561100334 /nfs/dbraw/zinc/10/03/34/561100334.db2.gz MWXSVJCVTGOXGC-TZMCWYRMSA-N 1 2 352.387 2.146 20 5 FEBDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475581008 561100335 /nfs/dbraw/zinc/10/03/35/561100335.db2.gz MWXSVJCVTGOXGC-TZMCWYRMSA-N 1 2 352.387 2.146 20 5 FEBDLO Nc1c(NCCc2ccc(Cl)cc2[N+](=O)[O-])[nH+]cnc1-n1cccn1 ZINC000477097608 561136471 /nfs/dbraw/zinc/13/64/71/561136471.db2.gz VMBRPOQVMPOOEV-UHFFFAOYSA-N 1 2 359.777 2.461 20 5 FEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000531149191 562436316 /nfs/dbraw/zinc/43/63/16/562436316.db2.gz GMYIMJACIPLCKO-INIZCTEOSA-N 1 2 351.366 2.430 20 5 FEBDLO Cc1nc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)ccc1[N+](=O)[O-] ZINC000531858484 562459103 /nfs/dbraw/zinc/45/91/03/562459103.db2.gz DIZXOERIBIVXNL-UHFFFAOYSA-N 1 2 370.409 2.392 20 5 FEBDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000532072499 562466094 /nfs/dbraw/zinc/46/60/94/562466094.db2.gz MTQAGBBVMIKWAU-UHFFFAOYSA-N 1 2 362.411 2.160 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000533821093 562519095 /nfs/dbraw/zinc/51/90/95/562519095.db2.gz XEHCAAXOJMGFDW-INIZCTEOSA-N 1 2 361.423 2.368 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000533821093 562519096 /nfs/dbraw/zinc/51/90/96/562519096.db2.gz XEHCAAXOJMGFDW-INIZCTEOSA-N 1 2 361.423 2.368 20 5 FEBDLO C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000813073564 674716584 /nfs/dbraw/zinc/71/65/84/674716584.db2.gz VVVBOYHQBOKARU-QPUJVOFHSA-N 1 2 362.213 2.351 20 5 FEBDLO C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000813073564 674716587 /nfs/dbraw/zinc/71/65/87/674716587.db2.gz VVVBOYHQBOKARU-QPUJVOFHSA-N 1 2 362.213 2.351 20 5 FEBDLO CS(=O)(=O)CC[NH+]1CCC(Nc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000814362148 674833518 /nfs/dbraw/zinc/83/35/18/674833518.db2.gz RFGLCOJHYLYSEU-UHFFFAOYSA-N 1 2 361.851 2.169 20 5 FEBDLO CN(CC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C ZINC000103462502 670783699 /nfs/dbraw/zinc/78/36/99/670783699.db2.gz ROACRFCLAOGBCW-UHFFFAOYSA-N 1 2 353.423 2.328 20 5 FEBDLO O=[N+]([O-])c1cc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)cs1 ZINC000119407465 671899033 /nfs/dbraw/zinc/89/90/33/671899033.db2.gz BAMZAEPHEINECE-UHFFFAOYSA-N 1 2 368.440 2.130 20 5 FEBDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000127926485 672043370 /nfs/dbraw/zinc/04/33/70/672043370.db2.gz YRMDNMPOFMWRQT-LBPRGKRZSA-N 1 2 366.849 2.033 20 5 FEBDLO CCN(CC)C(=O)C[NH+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000127911571 672043471 /nfs/dbraw/zinc/04/34/71/672043471.db2.gz FLSOAKDSBHRTMG-UHFFFAOYSA-N 1 2 368.865 2.234 20 5 FEBDLO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000170953029 672327706 /nfs/dbraw/zinc/32/77/06/672327706.db2.gz WLDXZPPTDUGILY-GFCCVEGCSA-N 1 2 353.423 2.374 20 5 FEBDLO C[C@H]1C[NH+](CCn2cc([N+](=O)[O-])cn2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000174861128 672363978 /nfs/dbraw/zinc/36/39/78/672363978.db2.gz ZNHPOKSFFHKAOP-STQMWFEESA-N 1 2 353.423 2.121 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)cc([N+](=O)[O-])c1F ZINC000179188994 672399675 /nfs/dbraw/zinc/39/96/75/672399675.db2.gz NTXSQHQCICFVKK-UHFFFAOYSA-N 1 2 359.423 2.005 20 5 FEBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000587056865 672440485 /nfs/dbraw/zinc/44/04/85/672440485.db2.gz OVQPAPMKYYKAKY-JTQLQIEISA-N 1 2 352.297 2.138 20 5 FEBDLO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH+]3CCOCC3)C2)c(C(F)(F)F)c1 ZINC000596247152 673371546 /nfs/dbraw/zinc/37/15/46/673371546.db2.gz LLZIEOIPKYRJMG-LLVKDONJSA-N 1 2 360.336 2.310 20 5 FEBDLO COC(=O)c1c(Cl)c(SC[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000596287238 673374433 /nfs/dbraw/zinc/37/44/33/673374433.db2.gz YYANBJGZKBDGDR-VIFPVBQESA-N 1 2 360.819 2.458 20 5 FEBDLO COC(=O)c1c(Cl)c(SC[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000596287238 673374437 /nfs/dbraw/zinc/37/44/37/673374437.db2.gz YYANBJGZKBDGDR-VIFPVBQESA-N 1 2 360.819 2.458 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000596839579 673418855 /nfs/dbraw/zinc/41/88/55/673418855.db2.gz SQFOBYDDAVYBKK-UONOGXRCSA-N 1 2 350.419 2.442 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000596839579 673418857 /nfs/dbraw/zinc/41/88/57/673418857.db2.gz SQFOBYDDAVYBKK-UONOGXRCSA-N 1 2 350.419 2.442 20 5 FEBDLO C[C@H]1C[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)CO1 ZINC000597995370 673528109 /nfs/dbraw/zinc/52/81/09/673528109.db2.gz FMVOPAHGWBEZKS-RYUDHWBXSA-N 1 2 355.822 2.016 20 5 FEBDLO C[C@H]1C[N@@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)CO1 ZINC000597995370 673528112 /nfs/dbraw/zinc/52/81/12/673528112.db2.gz FMVOPAHGWBEZKS-RYUDHWBXSA-N 1 2 355.822 2.016 20 5 FEBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000598948138 673624471 /nfs/dbraw/zinc/62/44/71/673624471.db2.gz PHFYLEDGNKEYCF-SECBINFHSA-N 1 2 352.297 2.138 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599163663 673637828 /nfs/dbraw/zinc/63/78/28/673637828.db2.gz GNYGOZCEERFKIM-CQSZACIVSA-N 1 2 353.444 2.427 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599163663 673637830 /nfs/dbraw/zinc/63/78/30/673637830.db2.gz GNYGOZCEERFKIM-CQSZACIVSA-N 1 2 353.444 2.427 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(F)cc1[N+](=O)[O-] ZINC000601336708 673844253 /nfs/dbraw/zinc/84/42/53/673844253.db2.gz JEWSTYHSCGKFIK-LBPRGKRZSA-N 1 2 368.390 2.265 20 5 FEBDLO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602683882 673909561 /nfs/dbraw/zinc/90/95/61/673909561.db2.gz WVHDTQGDIIJHCN-LDYMZIIASA-N 1 2 365.249 2.391 20 5 FEBDLO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602683882 673909562 /nfs/dbraw/zinc/90/95/62/673909562.db2.gz WVHDTQGDIIJHCN-LDYMZIIASA-N 1 2 365.249 2.391 20 5 FEBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2c(F)cccc2F)CC1 ZINC000602853587 673912228 /nfs/dbraw/zinc/91/22/28/673912228.db2.gz IQTVDLISEVRHLO-UHFFFAOYSA-N 1 2 351.357 2.200 20 5 FEBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1Br ZINC000760874683 680704130 /nfs/dbraw/zinc/70/41/30/680704130.db2.gz XSUMLCZOPZJLKR-VIFPVBQESA-N 1 2 365.187 2.299 20 5 FEBDLO Cc1cccc(Cl)c1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017544483 680077039 /nfs/dbraw/zinc/07/70/39/680077039.db2.gz UHRNFSQTFDMULP-UMPJEAMMSA-N 1 2 363.845 2.489 20 5 FEBDLO Cc1cccc(Cl)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017544483 680077045 /nfs/dbraw/zinc/07/70/45/680077045.db2.gz UHRNFSQTFDMULP-UMPJEAMMSA-N 1 2 363.845 2.489 20 5 FEBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3c(Cl)cccc3Cl)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775303 680337396 /nfs/dbraw/zinc/33/73/96/680337396.db2.gz NADQTBTZXGQVIS-BVDPADPGSA-N 1 2 370.236 2.205 20 5 FEBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3c(Cl)cccc3Cl)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775303 680337400 /nfs/dbraw/zinc/33/74/00/680337400.db2.gz NADQTBTZXGQVIS-BVDPADPGSA-N 1 2 370.236 2.205 20 5 FEBDLO O=C(NCC1=CC[N@H+](Cc2c(F)cccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000672208 680436960 /nfs/dbraw/zinc/43/69/60/680436960.db2.gz WHOXSTPIBDNPDX-MLGOLLRUSA-N 1 2 367.808 2.393 20 5 FEBDLO O=C(NCC1=CC[N@@H+](Cc2c(F)cccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000672208 680436963 /nfs/dbraw/zinc/43/69/63/680436963.db2.gz WHOXSTPIBDNPDX-MLGOLLRUSA-N 1 2 367.808 2.393 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1Cl ZINC000836786728 680513812 /nfs/dbraw/zinc/51/38/12/680513812.db2.gz FMVYCXNECHJMNF-OLZOCXBDSA-N 1 2 367.833 2.492 20 5 FEBDLO O=[N+]([O-])c1nn(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1Br ZINC000842616416 680954830 /nfs/dbraw/zinc/95/48/30/680954830.db2.gz ORKHBVBJSUELDT-CMPLNLGQSA-N 1 2 359.224 2.402 20 5 FEBDLO O=[N+]([O-])c1nn(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1Br ZINC000842616416 680954832 /nfs/dbraw/zinc/95/48/32/680954832.db2.gz ORKHBVBJSUELDT-CMPLNLGQSA-N 1 2 359.224 2.402 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000779920078 681771003 /nfs/dbraw/zinc/77/10/03/681771003.db2.gz BIGFDOOKXATJIT-MNOVXSKESA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000779920078 681771008 /nfs/dbraw/zinc/77/10/08/681771008.db2.gz BIGFDOOKXATJIT-MNOVXSKESA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1 ZINC000779920070 681771322 /nfs/dbraw/zinc/77/13/22/681771322.db2.gz BIGFDOOKXATJIT-GHMZBOCLSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1 ZINC000779920070 681771326 /nfs/dbraw/zinc/77/13/26/681771326.db2.gz BIGFDOOKXATJIT-GHMZBOCLSA-N 1 2 361.851 2.270 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000935713521 681806846 /nfs/dbraw/zinc/80/68/46/681806846.db2.gz UEEUZMSINZTIBH-UHFFFAOYSA-N 1 2 367.471 2.500 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000935713521 681806848 /nfs/dbraw/zinc/80/68/48/681806848.db2.gz UEEUZMSINZTIBH-UHFFFAOYSA-N 1 2 367.471 2.500 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000935713397 681807088 /nfs/dbraw/zinc/80/70/88/681807088.db2.gz RNDHWBUGEBIECZ-GFCCVEGCSA-N 1 2 353.444 2.109 20 5 FEBDLO CC(C)(C)OC(=O)N[C@]12CCC[C@H]1C[N@H+](Cn1nccc1[N+](=O)[O-])C2 ZINC000857239138 682868198 /nfs/dbraw/zinc/86/81/98/682868198.db2.gz BKBLBFXGBFKDFI-LRDDRELGSA-N 1 2 351.407 2.128 20 5 FEBDLO CC(C)(C)OC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cn1nccc1[N+](=O)[O-])C2 ZINC000857239138 682868201 /nfs/dbraw/zinc/86/82/01/682868201.db2.gz BKBLBFXGBFKDFI-LRDDRELGSA-N 1 2 351.407 2.128 20 5 FEBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H](C)O1 ZINC000861397462 683404656 /nfs/dbraw/zinc/40/46/56/683404656.db2.gz WYBIUUKLXPPOQG-TXEJJXNPSA-N 1 2 355.822 2.429 20 5 FEBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H](C)O1 ZINC000861397462 683404658 /nfs/dbraw/zinc/40/46/58/683404658.db2.gz WYBIUUKLXPPOQG-TXEJJXNPSA-N 1 2 355.822 2.429 20 5 FEBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000928644308 683480326 /nfs/dbraw/zinc/48/03/26/683480326.db2.gz PXECXSVUCJXOLQ-OLZOCXBDSA-N 1 2 353.394 2.064 20 5 FEBDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CC[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000931177402 683846804 /nfs/dbraw/zinc/84/68/04/683846804.db2.gz XZDMFZITNRSJKB-WDEREUQCSA-N 1 2 355.357 2.288 20 5 FEBDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](CC[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000931177402 683846809 /nfs/dbraw/zinc/84/68/09/683846809.db2.gz XZDMFZITNRSJKB-WDEREUQCSA-N 1 2 355.357 2.288 20 5 FEBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000932005835 684387782 /nfs/dbraw/zinc/38/77/82/684387782.db2.gz XNAZOWAMBHIQAN-QWRGUYRKSA-N 1 2 369.805 2.270 20 5 FEBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000932005835 684387786 /nfs/dbraw/zinc/38/77/86/684387786.db2.gz XNAZOWAMBHIQAN-QWRGUYRKSA-N 1 2 369.805 2.270 20 5 FEBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924768081 684488089 /nfs/dbraw/zinc/48/80/89/684488089.db2.gz YCDWLHPKGRMUCR-UHFFFAOYSA-N 1 2 363.443 2.455 20 5 FEBDLO C[C@@H](Nc1cccc(Br)c1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000895244924 689683146 /nfs/dbraw/zinc/68/31/46/689683146.db2.gz ATKKDTRDWLNFDV-ZWNOBZJWSA-N 1 2 357.252 2.404 20 5 FEBDLO C[C@@H](Nc1cccc(Br)c1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000895244924 689683148 /nfs/dbraw/zinc/68/31/48/689683148.db2.gz ATKKDTRDWLNFDV-ZWNOBZJWSA-N 1 2 357.252 2.404 20 5 FEBDLO COc1ccc([C@@H]([NH2+]CC[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000905132931 691072235 /nfs/dbraw/zinc/07/22/35/691072235.db2.gz COMHMECQWVKIOD-QGZVFWFLSA-N 1 2 364.423 2.054 20 5 FEBDLO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH+]3CCN2CC3)nc1-c1ccc(F)cc1 ZINC000485408414 888795209 /nfs/dbraw/zinc/79/52/09/888795209.db2.gz QGTQBOBENZEINU-OAHLLOKOSA-N 1 2 357.389 2.208 20 5 FEBDLO C[C@@H]1C[N@H+](CCOC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000800168091 674028756 /nfs/dbraw/zinc/02/87/56/674028756.db2.gz FQFZYBPZISAGIQ-GFCCVEGCSA-N 1 2 372.805 2.281 20 5 FEBDLO C[C@@H]1C[N@@H+](CCOC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000800168091 674028758 /nfs/dbraw/zinc/02/87/58/674028758.db2.gz FQFZYBPZISAGIQ-GFCCVEGCSA-N 1 2 372.805 2.281 20 5 FEBDLO COc1ccccc1C[NH+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000076227658 542247903 /nfs/dbraw/zinc/24/79/03/542247903.db2.gz UZLGHCZOZZUGAN-UHFFFAOYSA-N 1 2 369.421 2.490 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000007048245 539445806 /nfs/dbraw/zinc/44/58/06/539445806.db2.gz FLQBXCQWMYUGHL-SECBINFHSA-N 1 2 363.399 2.403 20 5 FEBDLO COCCCn1ccc(=NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[nH]1 ZINC000522524369 539568949 /nfs/dbraw/zinc/56/89/49/539568949.db2.gz LHDXDPXWNCEGRZ-UHFFFAOYSA-N 1 2 370.369 2.266 20 5 FEBDLO CN(C)S(=O)(=O)c1cccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026347097 539784656 /nfs/dbraw/zinc/78/46/56/539784656.db2.gz NNORGMNHNRTQCZ-UHFFFAOYSA-N 1 2 363.439 2.477 20 5 FEBDLO CN(C)S(=O)(=O)c1cccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026347097 539784658 /nfs/dbraw/zinc/78/46/58/539784658.db2.gz NNORGMNHNRTQCZ-UHFFFAOYSA-N 1 2 363.439 2.477 20 5 FEBDLO COC(=O)c1cccc(NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026347614 539785033 /nfs/dbraw/zinc/78/50/33/539785033.db2.gz BBWWUWNEYZCUSD-UHFFFAOYSA-N 1 2 357.366 2.452 20 5 FEBDLO COC(=O)c1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026347614 539785035 /nfs/dbraw/zinc/78/50/35/539785035.db2.gz BBWWUWNEYZCUSD-UHFFFAOYSA-N 1 2 357.366 2.452 20 5 FEBDLO COc1ccc(C[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1OC ZINC000027350250 539805442 /nfs/dbraw/zinc/80/54/42/539805442.db2.gz NMMLGRFAVFQKAS-UHFFFAOYSA-N 1 2 359.382 2.343 20 5 FEBDLO COc1ccc(C[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1OC ZINC000027350250 539805446 /nfs/dbraw/zinc/80/54/46/539805446.db2.gz NMMLGRFAVFQKAS-UHFFFAOYSA-N 1 2 359.382 2.343 20 5 FEBDLO CNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000029162024 539845575 /nfs/dbraw/zinc/84/55/75/539845575.db2.gz GCRZCXIUJQJYQI-JTQLQIEISA-N 1 2 368.821 2.033 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000032236853 539931636 /nfs/dbraw/zinc/93/16/36/539931636.db2.gz IEZSCYIGTDJPAD-UHFFFAOYSA-N 1 2 354.366 2.448 20 5 FEBDLO Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000043147815 540091744 /nfs/dbraw/zinc/09/17/44/540091744.db2.gz BGDVCKVXTILZMN-UHFFFAOYSA-N 1 2 371.397 2.457 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000043149375 540092262 /nfs/dbraw/zinc/09/22/62/540092262.db2.gz RJAMRUDJATVQPS-UHFFFAOYSA-N 1 2 371.397 2.457 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000043122020 540089747 /nfs/dbraw/zinc/08/97/47/540089747.db2.gz CWLFCAPCHCWEJK-UHFFFAOYSA-N 1 2 371.397 2.348 20 5 FEBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)Cn3cc([N+](=O)[O-])cn3)n2)C1 ZINC000044688363 540136542 /nfs/dbraw/zinc/13/65/42/540136542.db2.gz CYZIUELEUYXYJT-LLVKDONJSA-N 1 2 364.431 2.118 20 5 FEBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)Cn3cc([N+](=O)[O-])cn3)n2)C1 ZINC000044688363 540136546 /nfs/dbraw/zinc/13/65/46/540136546.db2.gz CYZIUELEUYXYJT-LLVKDONJSA-N 1 2 364.431 2.118 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000045797336 540228764 /nfs/dbraw/zinc/22/87/64/540228764.db2.gz JUNGNXZQNFEANV-ZDUSSCGKSA-N 1 2 353.400 2.077 20 5 FEBDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3)c[nH+]2)CCO1 ZINC000046716109 540267671 /nfs/dbraw/zinc/26/76/71/540267671.db2.gz YLLAYUVFRUXGNM-CYBMUJFWSA-N 1 2 356.382 2.145 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2ccc(N(C)C)[nH+]c2)c1 ZINC000046582639 540262582 /nfs/dbraw/zinc/26/25/82/540262582.db2.gz OYAUHWAKYFVTTA-UHFFFAOYSA-N 1 2 358.398 2.450 20 5 FEBDLO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000052862323 540495186 /nfs/dbraw/zinc/49/51/86/540495186.db2.gz MAZHPSJVYSXTON-CYBMUJFWSA-N 1 2 359.386 2.129 20 5 FEBDLO Cc1noc([C@@H]2CCC[N@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000052862323 540495188 /nfs/dbraw/zinc/49/51/88/540495188.db2.gz MAZHPSJVYSXTON-CYBMUJFWSA-N 1 2 359.386 2.129 20 5 FEBDLO Cc1noc(C2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000054679229 540603079 /nfs/dbraw/zinc/60/30/79/540603079.db2.gz GTKRMTOYSUTFTE-LLVKDONJSA-N 1 2 359.386 2.493 20 5 FEBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000055816454 540679137 /nfs/dbraw/zinc/67/91/37/540679137.db2.gz FQUPLOCEFLKIOM-UHFFFAOYSA-N 1 2 356.382 2.383 20 5 FEBDLO Cc1ccc2[nH+]c(CNS(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000056142877 540707184 /nfs/dbraw/zinc/70/71/84/540707184.db2.gz RTZZNAVAZWRINF-UHFFFAOYSA-N 1 2 360.395 2.171 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)s1 ZINC000064245226 541196959 /nfs/dbraw/zinc/19/69/59/541196959.db2.gz UYYNBYPMMWNKNW-UHFFFAOYSA-N 1 2 368.440 2.130 20 5 FEBDLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cn1 ZINC000065089582 541225580 /nfs/dbraw/zinc/22/55/80/541225580.db2.gz JNKIXWLTVVMVNG-UHFFFAOYSA-N 1 2 353.338 2.120 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000065780272 541260493 /nfs/dbraw/zinc/26/04/93/541260493.db2.gz HRXREXWIEVRPAA-UHFFFAOYSA-N 1 2 356.386 2.046 20 5 FEBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(F)c1 ZINC000066327378 541302593 /nfs/dbraw/zinc/30/25/93/541302593.db2.gz LHFIPMJKHWBDLE-GFCCVEGCSA-N 1 2 373.431 2.377 20 5 FEBDLO O=C(c1ccccc1)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000067386455 541453305 /nfs/dbraw/zinc/45/33/05/541453305.db2.gz YXAUHBDLCIKUIL-UHFFFAOYSA-N 1 2 355.394 2.432 20 5 FEBDLO C[C@H](CS(C)(=O)=O)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000069867422 541720801 /nfs/dbraw/zinc/72/08/01/541720801.db2.gz GMIQMYVWKMJDQM-GFCCVEGCSA-N 1 2 367.427 2.157 20 5 FEBDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000069867422 541720804 /nfs/dbraw/zinc/72/08/04/541720804.db2.gz GMIQMYVWKMJDQM-GFCCVEGCSA-N 1 2 367.427 2.157 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3nc(-c4ccoc4)no3)C2)nc1 ZINC000072665342 541847870 /nfs/dbraw/zinc/84/78/70/541847870.db2.gz ZCFDBJVXDHTLCT-LBPRGKRZSA-N 1 2 356.342 2.319 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3nc(-c4ccoc4)no3)C2)nc1 ZINC000072665342 541847873 /nfs/dbraw/zinc/84/78/73/541847873.db2.gz ZCFDBJVXDHTLCT-LBPRGKRZSA-N 1 2 356.342 2.319 20 5 FEBDLO CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000072723708 541858879 /nfs/dbraw/zinc/85/88/79/541858879.db2.gz LPUXYCSPMLAJGK-GFCCVEGCSA-N 1 2 351.403 2.167 20 5 FEBDLO CCCCC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000072970257 541899441 /nfs/dbraw/zinc/89/94/41/541899441.db2.gz LPZAPHQUHYKNJG-UHFFFAOYSA-N 1 2 371.459 2.100 20 5 FEBDLO CC(C)C(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000076968638 542336356 /nfs/dbraw/zinc/33/63/56/542336356.db2.gz HNUXGENCBIXBIC-ZDUSSCGKSA-N 1 2 362.430 2.158 20 5 FEBDLO NC(=O)c1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000043944706 208309577 /nfs/dbraw/zinc/30/95/77/208309577.db2.gz LKDMWTRAOWYGTH-UHFFFAOYSA-N 1 2 351.322 2.132 20 5 FEBDLO Cc1ccc(N2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000080542904 542594055 /nfs/dbraw/zinc/59/40/55/542594055.db2.gz GZILORYQDHMZPM-GOSISDBHSA-N 1 2 354.410 2.252 20 5 FEBDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000088595344 542753802 /nfs/dbraw/zinc/75/38/02/542753802.db2.gz UORILALJYFDMCZ-JKSUJKDBSA-N 1 2 360.458 2.284 20 5 FEBDLO C[C@H](C(=O)N1CCCC1)N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000088595344 542753804 /nfs/dbraw/zinc/75/38/04/542753804.db2.gz UORILALJYFDMCZ-JKSUJKDBSA-N 1 2 360.458 2.284 20 5 FEBDLO CCc1nn(C)c(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000094131754 542953157 /nfs/dbraw/zinc/95/31/57/542953157.db2.gz VENFKMYKBHGEBG-HNNXBMFYSA-N 1 2 359.430 2.204 20 5 FEBDLO CCc1nn(C)c(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000094131754 542953161 /nfs/dbraw/zinc/95/31/61/542953161.db2.gz VENFKMYKBHGEBG-HNNXBMFYSA-N 1 2 359.430 2.204 20 5 FEBDLO Cn1cc[nH+]c1CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000108952266 543309589 /nfs/dbraw/zinc/30/95/89/543309589.db2.gz OKOBJWUBXKWOBJ-UHFFFAOYSA-N 1 2 352.398 2.199 20 5 FEBDLO O=C(CN1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1F ZINC000124031515 543797222 /nfs/dbraw/zinc/79/72/22/543797222.db2.gz GZDPDKCVYCTCLB-UHFFFAOYSA-N 1 2 372.400 2.490 20 5 FEBDLO Cc1nn(CCC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1[N+](=O)[O-] ZINC000126121012 543919000 /nfs/dbraw/zinc/91/90/00/543919000.db2.gz KWZQLTHQCJSIOJ-DOMZBBRYSA-N 1 2 360.418 2.104 20 5 FEBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000126727042 543953416 /nfs/dbraw/zinc/95/34/16/543953416.db2.gz QTAATEQOSTVZMB-CQSZACIVSA-N 1 2 367.471 2.403 20 5 FEBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000126727042 543953420 /nfs/dbraw/zinc/95/34/20/543953420.db2.gz QTAATEQOSTVZMB-CQSZACIVSA-N 1 2 367.471 2.403 20 5 FEBDLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1F ZINC000130956929 544172337 /nfs/dbraw/zinc/17/23/37/544172337.db2.gz ACLLIYIOMVYMPC-UHFFFAOYSA-N 1 2 371.328 2.259 20 5 FEBDLO CCOC(=O)c1ccnc(NCCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000133260932 544262193 /nfs/dbraw/zinc/26/21/93/544262193.db2.gz KWCRJUCODYJZCJ-UHFFFAOYSA-N 1 2 355.354 2.469 20 5 FEBDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)S1 ZINC000137259634 544387811 /nfs/dbraw/zinc/38/78/11/544387811.db2.gz DPXQQRCJVAOBIO-JTQLQIEISA-N 1 2 368.846 2.497 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000155083090 544986163 /nfs/dbraw/zinc/98/61/63/544986163.db2.gz KJDIKLWHIGIQAI-UHFFFAOYSA-N 1 2 362.430 2.032 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000155083090 544986165 /nfs/dbraw/zinc/98/61/65/544986165.db2.gz KJDIKLWHIGIQAI-UHFFFAOYSA-N 1 2 362.430 2.032 20 5 FEBDLO COc1ccnc(N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000180014015 327668128 /nfs/dbraw/zinc/66/81/28/327668128.db2.gz NPQSMQAQOJMKJA-GQCTYLIASA-N 1 2 355.398 2.229 20 5 FEBDLO C[C@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[NH+]1CCOCC1 ZINC000181598886 327737824 /nfs/dbraw/zinc/73/78/24/327737824.db2.gz HBGDPKDBZWRQTG-WDEREUQCSA-N 1 2 373.356 2.035 20 5 FEBDLO CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000184784723 327883312 /nfs/dbraw/zinc/88/33/12/327883312.db2.gz PRPDRSVEMBTJRF-NWDGAFQWSA-N 1 2 360.370 2.098 20 5 FEBDLO CCc1[nH]nc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c1[N+](=O)[O-] ZINC000185700275 327928696 /nfs/dbraw/zinc/92/86/96/327928696.db2.gz GJUXOQXLCWOAQF-UHFFFAOYSA-N 1 2 373.413 2.273 20 5 FEBDLO CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000186423176 327961285 /nfs/dbraw/zinc/96/12/85/327961285.db2.gz FWINLMFXIJRVEN-UHFFFAOYSA-N 1 2 352.778 2.448 20 5 FEBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@@H](O)COCc3ccccc3)C2)cc1 ZINC000189462536 328149672 /nfs/dbraw/zinc/14/96/72/328149672.db2.gz ZLQNBGVHGWZKSD-QGZVFWFLSA-N 1 2 358.394 2.236 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000189797937 328168730 /nfs/dbraw/zinc/16/87/30/328168730.db2.gz SZJWGBBGOCJSIP-ZDUSSCGKSA-N 1 2 367.427 2.386 20 5 FEBDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190075658 328186239 /nfs/dbraw/zinc/18/62/39/328186239.db2.gz CUJPCKHMQGBDRR-UHFFFAOYSA-N 1 2 365.411 2.448 20 5 FEBDLO CCc1nnc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000190707751 328226454 /nfs/dbraw/zinc/22/64/54/328226454.db2.gz GHKPXZRTPXOFKE-LBPRGKRZSA-N 1 2 372.429 2.482 20 5 FEBDLO CCc1n[nH]c(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000190707751 328226456 /nfs/dbraw/zinc/22/64/56/328226456.db2.gz GHKPXZRTPXOFKE-LBPRGKRZSA-N 1 2 372.429 2.482 20 5 FEBDLO CCc1nc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000190707751 328226458 /nfs/dbraw/zinc/22/64/58/328226458.db2.gz GHKPXZRTPXOFKE-LBPRGKRZSA-N 1 2 372.429 2.482 20 5 FEBDLO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000191866744 328285878 /nfs/dbraw/zinc/28/58/78/328285878.db2.gz MJFWPKOYKGGDJB-XBFCOCLRSA-N 1 2 363.414 2.361 20 5 FEBDLO COC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000191866744 328285880 /nfs/dbraw/zinc/28/58/80/328285880.db2.gz MJFWPKOYKGGDJB-XBFCOCLRSA-N 1 2 363.414 2.361 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000016483878 324386237 /nfs/dbraw/zinc/38/62/37/324386237.db2.gz GEUHSXHRBHYWFV-CQSZACIVSA-N 1 2 355.398 2.139 20 5 FEBDLO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000020962553 324392703 /nfs/dbraw/zinc/39/27/03/324392703.db2.gz SUVPXDJQQFCTOW-UHFFFAOYSA-N 1 2 355.350 2.320 20 5 FEBDLO O=C(C[N@H+]1CCc2ccccc2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000020962553 324392707 /nfs/dbraw/zinc/39/27/07/324392707.db2.gz SUVPXDJQQFCTOW-UHFFFAOYSA-N 1 2 355.350 2.320 20 5 FEBDLO COc1cc(C(=O)NCc2cccnc2-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000195466857 328479089 /nfs/dbraw/zinc/47/90/89/328479089.db2.gz OELWQKKWZUJFQU-UHFFFAOYSA-N 1 2 353.338 2.114 20 5 FEBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087035290 325271039 /nfs/dbraw/zinc/27/10/39/325271039.db2.gz CRQFRWSOLMFMLK-UHFFFAOYSA-N 1 2 369.425 2.438 20 5 FEBDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)S1 ZINC000087391899 325281328 /nfs/dbraw/zinc/28/13/28/325281328.db2.gz MRPHDKJOVZLAPU-CYBMUJFWSA-N 1 2 362.455 2.163 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCN(c4ncccn4)CC3)co2)cc1 ZINC000089882919 325339054 /nfs/dbraw/zinc/33/90/54/325339054.db2.gz YUWANBZJVCLHKO-UHFFFAOYSA-N 1 2 366.381 2.362 20 5 FEBDLO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1nc(-c2ccccc2)c[nH]1 ZINC000090559592 325363237 /nfs/dbraw/zinc/36/32/37/325363237.db2.gz ZHQJSURFKJMUDB-UHFFFAOYSA-N 1 2 353.382 2.279 20 5 FEBDLO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1nc(-c2ccccc2)c[nH]1 ZINC000090559592 325363241 /nfs/dbraw/zinc/36/32/41/325363241.db2.gz ZHQJSURFKJMUDB-UHFFFAOYSA-N 1 2 353.382 2.279 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000105357455 325566018 /nfs/dbraw/zinc/56/60/18/325566018.db2.gz WOQRGZOYLVWGQP-OAHLLOKOSA-N 1 2 369.425 2.135 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)c1 ZINC000115859051 325982713 /nfs/dbraw/zinc/98/27/13/325982713.db2.gz BKGOTKPXBRLLFO-CQSZACIVSA-N 1 2 365.430 2.080 20 5 FEBDLO CC(C)C(=O)N1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000118830996 326105877 /nfs/dbraw/zinc/10/58/77/326105877.db2.gz RBQMIRWJHUQSFU-AWEZNQCLSA-N 1 2 362.430 2.112 20 5 FEBDLO CC(C)C(=O)N1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000118830996 326105879 /nfs/dbraw/zinc/10/58/79/326105879.db2.gz RBQMIRWJHUQSFU-AWEZNQCLSA-N 1 2 362.430 2.112 20 5 FEBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000120310906 326248760 /nfs/dbraw/zinc/24/87/60/326248760.db2.gz QEZLDELOEHJNNK-CQSZACIVSA-N 1 2 371.441 2.489 20 5 FEBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120677989 326278376 /nfs/dbraw/zinc/27/83/76/326278376.db2.gz QRDDREACGIOPNR-OAHLLOKOSA-N 1 2 357.366 2.439 20 5 FEBDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(F)cc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000121325514 326329869 /nfs/dbraw/zinc/32/98/69/326329869.db2.gz PJSSUKQHEJAYSK-GFCCVEGCSA-N 1 2 374.372 2.284 20 5 FEBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000121497851 326343478 /nfs/dbraw/zinc/34/34/78/326343478.db2.gz BJZGAXGIPJJFHS-HNNXBMFYSA-N 1 2 355.398 2.110 20 5 FEBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000122128008 326385024 /nfs/dbraw/zinc/38/50/24/326385024.db2.gz WQIDIGULINSTTL-NSHDSACASA-N 1 2 370.456 2.033 20 5 FEBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](CC2OCCO2)CC1 ZINC000122135698 326385127 /nfs/dbraw/zinc/38/51/27/326385127.db2.gz OSEZDBOCDBTWGC-UHFFFAOYSA-N 1 2 361.320 2.109 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+](CCC(F)(F)F)C[C@H](O)CO ZINC000122164271 326386286 /nfs/dbraw/zinc/38/62/86/326386286.db2.gz ACUDIEXVDZHEFY-NSHDSACASA-N 1 2 356.728 2.356 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+](CCC(F)(F)F)C[C@H](O)CO ZINC000122164271 326386287 /nfs/dbraw/zinc/38/62/87/326386287.db2.gz ACUDIEXVDZHEFY-NSHDSACASA-N 1 2 356.728 2.356 20 5 FEBDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000126096950 326483074 /nfs/dbraw/zinc/48/30/74/326483074.db2.gz CCYFIEXILJCIMM-UHFFFAOYSA-N 1 2 373.384 2.496 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000153067429 326723145 /nfs/dbraw/zinc/72/31/45/326723145.db2.gz ABSSGGTUTQLOBS-AWEZNQCLSA-N 1 2 374.441 2.399 20 5 FEBDLO O=[N+]([O-])c1cc(-c2ccccc2)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000154076015 326750647 /nfs/dbraw/zinc/75/06/47/326750647.db2.gz TZBKTTTZOYOEMF-KRWDZBQOSA-N 1 2 358.394 2.334 20 5 FEBDLO CN(Cc1[nH+]ccn1C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000154318825 326756745 /nfs/dbraw/zinc/75/67/45/326756745.db2.gz YNUKRLVFXOFLFN-UHFFFAOYSA-N 1 2 367.203 2.292 20 5 FEBDLO Cc1nn(CCC(=O)Nc2ccc(-n3cc[nH+]c3)nc2)c(C)c1[N+](=O)[O-] ZINC000171428901 327138899 /nfs/dbraw/zinc/13/88/99/327138899.db2.gz SEZVJLREBSJLHC-UHFFFAOYSA-N 1 2 355.358 2.018 20 5 FEBDLO C[N@@H+]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c2ccccc2C1 ZINC000171710197 327156802 /nfs/dbraw/zinc/15/68/02/327156802.db2.gz QYVKMDAOUKKVJI-UHFFFAOYSA-N 1 2 365.386 2.375 20 5 FEBDLO C[N@H+]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c2ccccc2C1 ZINC000171710197 327156803 /nfs/dbraw/zinc/15/68/03/327156803.db2.gz QYVKMDAOUKKVJI-UHFFFAOYSA-N 1 2 365.386 2.375 20 5 FEBDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000171994874 327174856 /nfs/dbraw/zinc/17/48/56/327174856.db2.gz JBMWZZNMGWXUDL-HNNXBMFYSA-N 1 2 373.413 2.478 20 5 FEBDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000171994874 327174857 /nfs/dbraw/zinc/17/48/57/327174857.db2.gz JBMWZZNMGWXUDL-HNNXBMFYSA-N 1 2 373.413 2.478 20 5 FEBDLO C[C@@H]([NH2+][C@H](C)c1nnc2ccccn21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000172620679 327212114 /nfs/dbraw/zinc/21/21/14/327212114.db2.gz NSSBIFZMXVYNEC-VXGBXAGGSA-N 1 2 354.370 2.315 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000172707360 327214802 /nfs/dbraw/zinc/21/48/02/327214802.db2.gz KCVBNWHDQNJYSK-SFHVURJKSA-N 1 2 371.393 2.443 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000172707360 327214803 /nfs/dbraw/zinc/21/48/03/327214803.db2.gz KCVBNWHDQNJYSK-SFHVURJKSA-N 1 2 371.393 2.443 20 5 FEBDLO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)NCC(F)(F)F ZINC000174244772 327315241 /nfs/dbraw/zinc/31/52/41/327315241.db2.gz QLEUWVJUFCILCL-UHFFFAOYSA-N 1 2 361.320 2.117 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000264204413 328999828 /nfs/dbraw/zinc/99/98/28/328999828.db2.gz IDIHMSWGJSLCPL-CYBMUJFWSA-N 1 2 373.413 2.132 20 5 FEBDLO C[C@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000264205293 328999839 /nfs/dbraw/zinc/99/98/39/328999839.db2.gz FCGJLSKODURNFQ-STQMWFEESA-N 1 2 362.430 2.008 20 5 FEBDLO CC1CCN(c2ccc(C(=O)NCc3[nH+]ccn3C)cc2[N+](=O)[O-])CC1 ZINC000264322153 329009977 /nfs/dbraw/zinc/00/99/77/329009977.db2.gz QLNZBRPGBSNFPX-UHFFFAOYSA-N 1 2 357.414 2.495 20 5 FEBDLO Cc1cc([N+](=O)[O-])cnc1NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000264459029 329025565 /nfs/dbraw/zinc/02/55/65/329025565.db2.gz JSWWVCKLNGRSPY-UHFFFAOYSA-N 1 2 370.413 2.007 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000264461784 329025905 /nfs/dbraw/zinc/02/59/05/329025905.db2.gz QRGGPHYPRHZVCX-UHFFFAOYSA-N 1 2 372.429 2.192 20 5 FEBDLO Cc1c(NC(=O)CC[N@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000265590773 329141135 /nfs/dbraw/zinc/14/11/35/329141135.db2.gz HWETWUHPGIXXFI-VXMWWYGOSA-N 1 2 353.444 2.073 20 5 FEBDLO Cc1c(NC(=O)CC[N@@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000265590773 329141136 /nfs/dbraw/zinc/14/11/36/329141136.db2.gz HWETWUHPGIXXFI-VXMWWYGOSA-N 1 2 353.444 2.073 20 5 FEBDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271394213 329690637 /nfs/dbraw/zinc/69/06/37/329690637.db2.gz LRVSWHQSERMMTP-ZDUSSCGKSA-N 1 2 368.397 2.291 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc([N+](=O)[O-])c1F ZINC000271403735 329691234 /nfs/dbraw/zinc/69/12/34/329691234.db2.gz JCCYJDPBFUKHPS-LLVKDONJSA-N 1 2 368.390 2.334 20 5 FEBDLO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)nc2)C1 ZINC000273314881 329854983 /nfs/dbraw/zinc/85/49/83/329854983.db2.gz JBWMOLYELNWTRF-AWEZNQCLSA-N 1 2 371.397 2.088 20 5 FEBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](Cc2ccncc2)CC1 ZINC000273525133 329871881 /nfs/dbraw/zinc/87/18/81/329871881.db2.gz ZLOMXSUKYVJNFU-UHFFFAOYSA-N 1 2 359.361 2.479 20 5 FEBDLO COc1cc(C[NH2+][C@@H](C)c2nncn2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000275146869 330015492 /nfs/dbraw/zinc/01/54/92/330015492.db2.gz FTRKTEJKLULKQF-VIFPVBQESA-N 1 2 371.344 2.227 20 5 FEBDLO C[C@H]([NH2+][C@@H](C)c1nncn1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000275208775 330022159 /nfs/dbraw/zinc/02/21/59/330022159.db2.gz RVAMKCBPSAFZEF-IUCAKERBSA-N 1 2 352.782 2.055 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000275520394 330058734 /nfs/dbraw/zinc/05/87/34/330058734.db2.gz JNBPMLYEJLAGJX-HNNXBMFYSA-N 1 2 370.413 2.431 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000275520394 330058735 /nfs/dbraw/zinc/05/87/35/330058735.db2.gz JNBPMLYEJLAGJX-HNNXBMFYSA-N 1 2 370.413 2.431 20 5 FEBDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000275782190 330088473 /nfs/dbraw/zinc/08/84/73/330088473.db2.gz CIIZFUDHXXAAGK-CMFPSAGXSA-N 1 2 356.382 2.378 20 5 FEBDLO CC(C)(CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000279075136 330173001 /nfs/dbraw/zinc/17/30/01/330173001.db2.gz GKXHDDYOWQLODX-UHFFFAOYSA-N 1 2 373.812 2.157 20 5 FEBDLO O=C(C[NH+]1CCC(C2OCCO2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000299690857 330198690 /nfs/dbraw/zinc/19/86/90/330198690.db2.gz YWUQTXBOGXSWGJ-UHFFFAOYSA-N 1 2 369.805 2.272 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000175869904 546364807 /nfs/dbraw/zinc/36/48/07/546364807.db2.gz MXHOPRJZOUBMST-UHFFFAOYSA-N 1 2 350.400 2.189 20 5 FEBDLO COC(=O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000179131431 546903281 /nfs/dbraw/zinc/90/32/81/546903281.db2.gz NLMDEFPPXCINNV-SNVBAGLBSA-N 1 2 355.778 2.214 20 5 FEBDLO COC(=O)C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000179131431 546903284 /nfs/dbraw/zinc/90/32/84/546903284.db2.gz NLMDEFPPXCINNV-SNVBAGLBSA-N 1 2 355.778 2.214 20 5 FEBDLO COCCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000179343095 546935970 /nfs/dbraw/zinc/93/59/70/546935970.db2.gz GRRVBNXRKVEVNQ-KBPBESRZSA-N 1 2 351.403 2.049 20 5 FEBDLO COCCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000179343095 546935971 /nfs/dbraw/zinc/93/59/71/546935971.db2.gz GRRVBNXRKVEVNQ-KBPBESRZSA-N 1 2 351.403 2.049 20 5 FEBDLO CC1(C)C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000181301859 547289339 /nfs/dbraw/zinc/28/93/39/547289339.db2.gz IFRCWRLTAKAVQI-UHFFFAOYSA-N 1 2 373.356 2.037 20 5 FEBDLO CC1(C)C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000181301859 547289341 /nfs/dbraw/zinc/28/93/41/547289341.db2.gz IFRCWRLTAKAVQI-UHFFFAOYSA-N 1 2 373.356 2.037 20 5 FEBDLO C[NH+](C)CCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000181970374 547415308 /nfs/dbraw/zinc/41/53/08/547415308.db2.gz GUWJGXBFXFXTCI-UHFFFAOYSA-N 1 2 359.382 2.171 20 5 FEBDLO CC(C)CO[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000182004618 547420735 /nfs/dbraw/zinc/42/07/35/547420735.db2.gz AEWKDJBHGBBDAF-OAHLLOKOSA-N 1 2 356.444 2.115 20 5 FEBDLO CC(C)CO[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000182004618 547420736 /nfs/dbraw/zinc/42/07/36/547420736.db2.gz AEWKDJBHGBBDAF-OAHLLOKOSA-N 1 2 356.444 2.115 20 5 FEBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000182062639 547430562 /nfs/dbraw/zinc/43/05/62/547430562.db2.gz RNZRBXNEGZDIQT-UHFFFAOYSA-N 1 2 354.366 2.447 20 5 FEBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000182062639 547430566 /nfs/dbraw/zinc/43/05/66/547430566.db2.gz RNZRBXNEGZDIQT-UHFFFAOYSA-N 1 2 354.366 2.447 20 5 FEBDLO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182130856 547442138 /nfs/dbraw/zinc/44/21/38/547442138.db2.gz TVLFZDQRLKNCDV-UHFFFAOYSA-N 1 2 359.382 2.210 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000182879719 547566032 /nfs/dbraw/zinc/56/60/32/547566032.db2.gz CMDZPDLGEXZLOS-UHFFFAOYSA-N 1 2 355.394 2.045 20 5 FEBDLO COc1cc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000184213884 547787517 /nfs/dbraw/zinc/78/75/17/547787517.db2.gz HCAYBNDNSAYJCJ-CQSZACIVSA-N 1 2 367.421 2.287 20 5 FEBDLO COc1cc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000184213884 547787521 /nfs/dbraw/zinc/78/75/21/547787521.db2.gz HCAYBNDNSAYJCJ-CQSZACIVSA-N 1 2 367.421 2.287 20 5 FEBDLO COc1cc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000184213909 547787532 /nfs/dbraw/zinc/78/75/32/547787532.db2.gz HCAYBNDNSAYJCJ-AWEZNQCLSA-N 1 2 367.421 2.287 20 5 FEBDLO COc1cc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000184213909 547787534 /nfs/dbraw/zinc/78/75/34/547787534.db2.gz HCAYBNDNSAYJCJ-AWEZNQCLSA-N 1 2 367.421 2.287 20 5 FEBDLO COC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000184705448 547868306 /nfs/dbraw/zinc/86/83/06/547868306.db2.gz HBVZHTMDNHIUIZ-OAHLLOKOSA-N 1 2 368.411 2.247 20 5 FEBDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)/C(C)=C/c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000186163680 548093590 /nfs/dbraw/zinc/09/35/90/548093590.db2.gz JLGYHRAREGLEQY-JRJUITNWSA-N 1 2 372.469 2.237 20 5 FEBDLO CCO[C@@H]1C[C@@H](Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1OC ZINC000486013615 561335172 /nfs/dbraw/zinc/33/51/72/561335172.db2.gz DSQOYNXZQRMXOC-BFYDXBDKSA-N 1 2 358.398 2.386 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2cccnc2-n2cc[nH+]c2)c1 ZINC000194323788 548465706 /nfs/dbraw/zinc/46/57/06/548465706.db2.gz MDAJDYYWUDKPRV-UHFFFAOYSA-N 1 2 353.338 2.114 20 5 FEBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000194759911 548528315 /nfs/dbraw/zinc/52/83/15/548528315.db2.gz YNFKZHHOPNTVMK-TXEJJXNPSA-N 1 2 355.822 2.429 20 5 FEBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000194759911 548528321 /nfs/dbraw/zinc/52/83/21/548528321.db2.gz YNFKZHHOPNTVMK-TXEJJXNPSA-N 1 2 355.822 2.429 20 5 FEBDLO COc1cc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)ccc1[N+](=O)[O-] ZINC000489141058 561404294 /nfs/dbraw/zinc/40/42/94/561404294.db2.gz RMOWVLUJTIAOPP-INIZCTEOSA-N 1 2 359.382 2.477 20 5 FEBDLO COc1cc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)ccc1[N+](=O)[O-] ZINC000489141058 561404295 /nfs/dbraw/zinc/40/42/95/561404295.db2.gz RMOWVLUJTIAOPP-INIZCTEOSA-N 1 2 359.382 2.477 20 5 FEBDLO C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1n1cc[nH+]c1 ZINC000247596134 549364789 /nfs/dbraw/zinc/36/47/89/549364789.db2.gz MUXIAFZMLALDSK-WDEREUQCSA-N 1 2 356.429 2.125 20 5 FEBDLO CN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000493060327 561454407 /nfs/dbraw/zinc/45/44/07/561454407.db2.gz QDODYAHFBFYRCA-CQSZACIVSA-N 1 2 352.354 2.157 20 5 FEBDLO CC(C)[NH+]1CCC(N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000271240119 550356695 /nfs/dbraw/zinc/35/66/95/550356695.db2.gz HIMYWBMVKWANOQ-UHFFFAOYSA-N 1 2 361.489 2.369 20 5 FEBDLO C[C@@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000271449867 550376084 /nfs/dbraw/zinc/37/60/84/550376084.db2.gz WWRUVVIFUWZHPQ-PWSUYJOCSA-N 1 2 370.456 2.344 20 5 FEBDLO O=C(C[N@@H+](CCO)Cc1cccc(F)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000494254468 561465792 /nfs/dbraw/zinc/46/57/92/561465792.db2.gz RJQKSBMNWUGZKA-UHFFFAOYSA-N 1 2 373.384 2.118 20 5 FEBDLO O=C(C[N@H+](CCO)Cc1cccc(F)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000494254468 561465793 /nfs/dbraw/zinc/46/57/93/561465793.db2.gz RJQKSBMNWUGZKA-UHFFFAOYSA-N 1 2 373.384 2.118 20 5 FEBDLO CCC(=O)N1CC[C@@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272493791 550452890 /nfs/dbraw/zinc/45/28/90/550452890.db2.gz FKOIGKFSMVPMKJ-RHSMWYFYSA-N 1 2 357.414 2.018 20 5 FEBDLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000273916532 550515583 /nfs/dbraw/zinc/51/55/83/550515583.db2.gz CYXMYUQKUDQXBA-CQSZACIVSA-N 1 2 371.397 2.286 20 5 FEBDLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000273916532 550515585 /nfs/dbraw/zinc/51/55/85/550515585.db2.gz CYXMYUQKUDQXBA-CQSZACIVSA-N 1 2 371.397 2.286 20 5 FEBDLO O=C(C[N@H+]1C[C@H](O)C2(CC2)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000494686119 561474338 /nfs/dbraw/zinc/47/43/38/561474338.db2.gz PSVHDTBPXUBJBT-AWEZNQCLSA-N 1 2 374.422 2.114 20 5 FEBDLO O=C(C[N@@H+]1C[C@H](O)C2(CC2)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000494686119 561474339 /nfs/dbraw/zinc/47/43/39/561474339.db2.gz PSVHDTBPXUBJBT-AWEZNQCLSA-N 1 2 374.422 2.114 20 5 FEBDLO CCOc1cc(C[NH+]2CCN(c3ncc(F)cn3)CC2)ccc1[N+](=O)[O-] ZINC000276828427 550600567 /nfs/dbraw/zinc/60/05/67/550600567.db2.gz AQRMYFAJFIYINB-UHFFFAOYSA-N 1 2 361.377 2.245 20 5 FEBDLO C[C@@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCS1 ZINC000277002514 550620464 /nfs/dbraw/zinc/62/04/64/550620464.db2.gz WOMRUGKWRXENEL-SNVBAGLBSA-N 1 2 353.400 2.089 20 5 FEBDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCS1 ZINC000277002514 550620465 /nfs/dbraw/zinc/62/04/65/550620465.db2.gz WOMRUGKWRXENEL-SNVBAGLBSA-N 1 2 353.400 2.089 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)ccc1Cl ZINC000278939530 550838504 /nfs/dbraw/zinc/83/85/04/550838504.db2.gz UIFGKHRMPGSULB-ZDUSSCGKSA-N 1 2 373.862 2.248 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)ccc1Cl ZINC000278939530 550838505 /nfs/dbraw/zinc/83/85/05/550838505.db2.gz UIFGKHRMPGSULB-ZDUSSCGKSA-N 1 2 373.862 2.248 20 5 FEBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000279189463 550863194 /nfs/dbraw/zinc/86/31/94/550863194.db2.gz JJEVEAZQRSLSFK-UHFFFAOYSA-N 1 2 374.372 2.401 20 5 FEBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000279199438 550864068 /nfs/dbraw/zinc/86/40/68/550864068.db2.gz KTYBLFWRRUOEPH-UHFFFAOYSA-N 1 2 364.402 2.166 20 5 FEBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000279199438 550864069 /nfs/dbraw/zinc/86/40/69/550864069.db2.gz KTYBLFWRRUOEPH-UHFFFAOYSA-N 1 2 364.402 2.166 20 5 FEBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000279290279 550874175 /nfs/dbraw/zinc/87/41/75/550874175.db2.gz LIKAHLHVNCDWLE-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000279290279 550874176 /nfs/dbraw/zinc/87/41/76/550874176.db2.gz LIKAHLHVNCDWLE-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO CN(C)c1cc(F)c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000279315686 550876630 /nfs/dbraw/zinc/87/66/30/550876630.db2.gz FNBUPPCUGVQBRP-GFCCVEGCSA-N 1 2 373.388 2.204 20 5 FEBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000279788693 550928941 /nfs/dbraw/zinc/92/89/41/550928941.db2.gz VCAUUNNWJCMIOP-HNNXBMFYSA-N 1 2 365.430 2.080 20 5 FEBDLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC2(CCOCC2)O1 ZINC000279852007 550935970 /nfs/dbraw/zinc/93/59/70/550935970.db2.gz SCMNKPYLYWRVEN-ZDUSSCGKSA-N 1 2 374.397 2.415 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC2(CCOCC2)O1 ZINC000279852007 550935971 /nfs/dbraw/zinc/93/59/71/550935971.db2.gz SCMNKPYLYWRVEN-ZDUSSCGKSA-N 1 2 374.397 2.415 20 5 FEBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C[C@@H](C)O2 ZINC000279986512 550949901 /nfs/dbraw/zinc/94/99/01/550949901.db2.gz ZVPWGZFLIDOEPN-FHSNZYRGSA-N 1 2 374.397 2.413 20 5 FEBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C[C@@H](C)O2 ZINC000279986512 550949903 /nfs/dbraw/zinc/94/99/03/550949903.db2.gz ZVPWGZFLIDOEPN-FHSNZYRGSA-N 1 2 374.397 2.413 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000280251004 550974390 /nfs/dbraw/zinc/97/43/90/550974390.db2.gz BXXDEGBXXNAZIM-IYOUNJFTSA-N 1 2 363.414 2.110 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000280251004 550974391 /nfs/dbraw/zinc/97/43/91/550974391.db2.gz BXXDEGBXXNAZIM-IYOUNJFTSA-N 1 2 363.414 2.110 20 5 FEBDLO O=C(C[N@@H+]1CC[C@@H](OCc2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000281070580 551060210 /nfs/dbraw/zinc/06/02/10/551060210.db2.gz SWXNADXQTSETRS-OAHLLOKOSA-N 1 2 356.382 2.219 20 5 FEBDLO O=C(C[N@H+]1CC[C@@H](OCc2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000281070580 551060211 /nfs/dbraw/zinc/06/02/11/551060211.db2.gz SWXNADXQTSETRS-OAHLLOKOSA-N 1 2 356.382 2.219 20 5 FEBDLO Cc1cc(N2CCC(NC(=O)c3cccc(O)c3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000281129868 551066676 /nfs/dbraw/zinc/06/66/76/551066676.db2.gz YEMOPVPRQRTFIS-UHFFFAOYSA-N 1 2 371.397 2.106 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCCO[C@@H](CC)C2)c([N+](=O)[O-])c1 ZINC000281473169 551101852 /nfs/dbraw/zinc/10/18/52/551101852.db2.gz RTZOTXYPIBNIKJ-ZDUSSCGKSA-N 1 2 351.403 2.433 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CCCO[C@@H](CC)C2)c([N+](=O)[O-])c1 ZINC000281473169 551101855 /nfs/dbraw/zinc/10/18/55/551101855.db2.gz RTZOTXYPIBNIKJ-ZDUSSCGKSA-N 1 2 351.403 2.433 20 5 FEBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000281889448 551153497 /nfs/dbraw/zinc/15/34/97/551153497.db2.gz STDVAYSDRLLBSD-AWEZNQCLSA-N 1 2 360.418 2.460 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])CCC2 ZINC000497539157 561503467 /nfs/dbraw/zinc/50/34/67/561503467.db2.gz OVDVRRRWLBBYIE-GFCCVEGCSA-N 1 2 364.427 2.493 20 5 FEBDLO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282850674 551277612 /nfs/dbraw/zinc/27/76/12/551277612.db2.gz SBIWMIWANVZBQP-LBPRGKRZSA-N 1 2 371.397 2.248 20 5 FEBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000284676715 551605045 /nfs/dbraw/zinc/60/50/45/551605045.db2.gz GAGIQYRTCUTPRF-KGLIPLIRSA-N 1 2 354.794 2.185 20 5 FEBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000284676715 551605047 /nfs/dbraw/zinc/60/50/47/551605047.db2.gz GAGIQYRTCUTPRF-KGLIPLIRSA-N 1 2 354.794 2.185 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000286616926 551906462 /nfs/dbraw/zinc/90/64/62/551906462.db2.gz RVEALCTVWJEQCQ-JQWIXIFHSA-N 1 2 363.292 2.496 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000286616926 551906464 /nfs/dbraw/zinc/90/64/64/551906464.db2.gz RVEALCTVWJEQCQ-JQWIXIFHSA-N 1 2 363.292 2.496 20 5 FEBDLO CC(C)[C@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000288973231 552246004 /nfs/dbraw/zinc/24/60/04/552246004.db2.gz QXUPZPMWTNKRSN-AWEZNQCLSA-N 1 2 352.416 2.177 20 5 FEBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000292989815 552777876 /nfs/dbraw/zinc/77/78/76/552777876.db2.gz CARLXPHAQXXUHA-MOPGFXCFSA-N 1 2 367.405 2.011 20 5 FEBDLO COc1ccc(C[NH+]2CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC2)cc1F ZINC000294546584 552914659 /nfs/dbraw/zinc/91/46/59/552914659.db2.gz VLZPHSGBWVWTFO-UHFFFAOYSA-N 1 2 367.421 2.314 20 5 FEBDLO Cc1cc(Cl)c(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000294906531 552943291 /nfs/dbraw/zinc/94/32/91/552943291.db2.gz JOCAHUPPFCWELS-ZDUSSCGKSA-N 1 2 367.833 2.493 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3c(Cl)cc(F)cc3C2)c1 ZINC000295717833 553049531 /nfs/dbraw/zinc/04/95/31/553049531.db2.gz NUSDTMRJRLVVMN-ZDUSSCGKSA-N 1 2 354.769 2.003 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3c(Cl)cc(F)cc3C2)c1 ZINC000295717833 553049532 /nfs/dbraw/zinc/04/95/32/553049532.db2.gz NUSDTMRJRLVVMN-ZDUSSCGKSA-N 1 2 354.769 2.003 20 5 FEBDLO COc1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc2c1OCO2 ZINC000296149915 553112845 /nfs/dbraw/zinc/11/28/45/553112845.db2.gz XKRGWYSAFVOPED-UHFFFAOYSA-N 1 2 372.381 2.049 20 5 FEBDLO COC(=O)c1cc(C)nc(N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000296384711 553151064 /nfs/dbraw/zinc/15/10/64/553151064.db2.gz ULECGMDYQKASDW-CYBMUJFWSA-N 1 2 359.386 2.406 20 5 FEBDLO Cc1ccc2[nH+]c(CNS(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000503503418 561643131 /nfs/dbraw/zinc/64/31/31/561643131.db2.gz HMIXYLWLQZVZBS-UHFFFAOYSA-N 1 2 374.422 2.213 20 5 FEBDLO COc1cc(C[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc(OC)c1 ZINC000299138258 553520631 /nfs/dbraw/zinc/52/06/31/553520631.db2.gz RFSZZJLECRRIEK-UHFFFAOYSA-N 1 2 359.382 2.343 20 5 FEBDLO COc1cc(C[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc(OC)c1 ZINC000299138258 553520632 /nfs/dbraw/zinc/52/06/32/553520632.db2.gz RFSZZJLECRRIEK-UHFFFAOYSA-N 1 2 359.382 2.343 20 5 FEBDLO Cc1cc(N(C)CC[NH+]2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301318541 553641841 /nfs/dbraw/zinc/64/18/41/553641841.db2.gz COZDUXOQYMPKMK-UHFFFAOYSA-N 1 2 357.414 2.129 20 5 FEBDLO Cc1nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(C)c(C)[nH+]1 ZINC000301631474 553667441 /nfs/dbraw/zinc/66/74/41/553667441.db2.gz BREHYNHMXATRQQ-UHFFFAOYSA-N 1 2 355.398 2.272 20 5 FEBDLO C[C@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000302419626 553716181 /nfs/dbraw/zinc/71/61/81/553716181.db2.gz MRXVFQOGUCPLJK-HNNXBMFYSA-N 1 2 369.421 2.329 20 5 FEBDLO C[C@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000302419626 553716183 /nfs/dbraw/zinc/71/61/83/553716183.db2.gz MRXVFQOGUCPLJK-HNNXBMFYSA-N 1 2 369.421 2.329 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cc(N4CCCC4)[nH+]cn3)C2)nc1 ZINC000302819974 553734710 /nfs/dbraw/zinc/73/47/10/553734710.db2.gz CUTYXDJMFJNRTP-CYBMUJFWSA-N 1 2 355.402 2.071 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cc(N4CCCC4)nc[nH+]3)C2)nc1 ZINC000302819974 553734715 /nfs/dbraw/zinc/73/47/15/553734715.db2.gz CUTYXDJMFJNRTP-CYBMUJFWSA-N 1 2 355.402 2.071 20 5 FEBDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])nn3C)CC2)cc1 ZINC000507521359 561731679 /nfs/dbraw/zinc/73/16/79/561731679.db2.gz XMWJCSCWMGUMPV-UHFFFAOYSA-N 1 2 371.441 2.410 20 5 FEBDLO Cc1c(NC(=O)CC[NH+]2C[C@@H](C)S(=O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000331173309 554225684 /nfs/dbraw/zinc/22/56/84/554225684.db2.gz OWAYAEBXMJASJL-VXGBXAGGSA-N 1 2 353.444 2.073 20 5 FEBDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000331645904 554301199 /nfs/dbraw/zinc/30/11/99/554301199.db2.gz VKKDQFYWFWPEEL-XCRHUMRWSA-N 1 2 363.414 2.192 20 5 FEBDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000331645904 554301201 /nfs/dbraw/zinc/30/12/01/554301201.db2.gz VKKDQFYWFWPEEL-XCRHUMRWSA-N 1 2 363.414 2.192 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000510449837 561835052 /nfs/dbraw/zinc/83/50/52/561835052.db2.gz PAVWHBIDUQFJMI-ZDUSSCGKSA-N 1 2 350.400 2.066 20 5 FEBDLO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccn2)CC1 ZINC000511496278 561870849 /nfs/dbraw/zinc/87/08/49/561870849.db2.gz DEPKIGAIMUKBLN-UHFFFAOYSA-N 1 2 369.425 2.060 20 5 FEBDLO CN(C(=O)C[N@@H+]1CCC[C@@H](c2ccncn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000361765793 554933777 /nfs/dbraw/zinc/93/37/77/554933777.db2.gz GZMWYGKKXIKVIO-CQSZACIVSA-N 1 2 355.398 2.227 20 5 FEBDLO CN(C(=O)C[N@H+]1CCC[C@@H](c2ccncn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000361765793 554933779 /nfs/dbraw/zinc/93/37/79/554933779.db2.gz GZMWYGKKXIKVIO-CQSZACIVSA-N 1 2 355.398 2.227 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000511588126 561873579 /nfs/dbraw/zinc/87/35/79/561873579.db2.gz ZDIQUPLXATXBFR-CQSZACIVSA-N 1 2 369.219 2.088 20 5 FEBDLO COc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)ccc1[N+](=O)[O-] ZINC000363194860 555050494 /nfs/dbraw/zinc/05/04/94/555050494.db2.gz YRHCTSBXVMJOHE-UHFFFAOYSA-N 1 2 353.338 2.114 20 5 FEBDLO Nc1c(C(=O)NC2CC[NH+](Cc3cscn3)CC2)cccc1[N+](=O)[O-] ZINC000363358844 555085863 /nfs/dbraw/zinc/08/58/63/555085863.db2.gz LGLAGJBUYSGKJA-UHFFFAOYSA-N 1 2 361.427 2.028 20 5 FEBDLO O=C1[C@@H]([N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CCN1c1ccccc1F ZINC000364335765 555293933 /nfs/dbraw/zinc/29/39/33/555293933.db2.gz JESTZZSCMYNCNW-DYVFJYSZSA-N 1 2 373.388 2.373 20 5 FEBDLO O=C1[C@@H]([N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CCN1c1ccccc1F ZINC000364335765 555293935 /nfs/dbraw/zinc/29/39/35/555293935.db2.gz JESTZZSCMYNCNW-DYVFJYSZSA-N 1 2 373.388 2.373 20 5 FEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000512330887 561900689 /nfs/dbraw/zinc/90/06/89/561900689.db2.gz VNVQKUAYFWZISW-UHFFFAOYSA-N 1 2 359.430 2.423 20 5 FEBDLO CN(C(=O)c1cc([N+](=O)[O-])ccc1N)C1CCN(c2cccc[nH+]2)CC1 ZINC000364989627 555458614 /nfs/dbraw/zinc/45/86/14/555458614.db2.gz ZZKLVYCRTUGHFG-UHFFFAOYSA-N 1 2 355.398 2.313 20 5 FEBDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000365007835 555463163 /nfs/dbraw/zinc/46/31/63/555463163.db2.gz KCWDONSNPCENJR-QMMMGPOBSA-N 1 2 352.297 2.207 20 5 FEBDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000365007835 555463165 /nfs/dbraw/zinc/46/31/65/555463165.db2.gz KCWDONSNPCENJR-QMMMGPOBSA-N 1 2 352.297 2.207 20 5 FEBDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000365205698 555510671 /nfs/dbraw/zinc/51/06/71/555510671.db2.gz SYAIHFHEWBSYQG-LURJTMIESA-N 1 2 371.216 2.429 20 5 FEBDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000365205698 555510673 /nfs/dbraw/zinc/51/06/73/555510673.db2.gz SYAIHFHEWBSYQG-LURJTMIESA-N 1 2 371.216 2.429 20 5 FEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000365694412 555642333 /nfs/dbraw/zinc/64/23/33/555642333.db2.gz ZXFFQETXGLJABB-IAQYHMDHSA-N 1 2 353.806 2.183 20 5 FEBDLO Cc1cc(N[C@@H]2CCc3[nH]c[nH+]c3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000366938686 555976104 /nfs/dbraw/zinc/97/61/04/555976104.db2.gz QPSZCFBPVAJXDA-CYBMUJFWSA-N 1 2 350.382 2.475 20 5 FEBDLO Cc1cc(N[C@@H]2CCc3[nH+]c[nH]c3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000366938686 555976107 /nfs/dbraw/zinc/97/61/07/555976107.db2.gz QPSZCFBPVAJXDA-CYBMUJFWSA-N 1 2 350.382 2.475 20 5 FEBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000366989232 555990235 /nfs/dbraw/zinc/99/02/35/555990235.db2.gz OETWFSINXHEWLC-UHFFFAOYSA-N 1 2 374.485 2.156 20 5 FEBDLO COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)c2[nH+]ccn2C)cc1 ZINC000514714645 561975512 /nfs/dbraw/zinc/97/55/12/561975512.db2.gz WFHITDUUPVHQLP-MRXNPFEDSA-N 1 2 369.381 2.195 20 5 FEBDLO Cc1ccc(N2CCC(NC(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000367625163 556099660 /nfs/dbraw/zinc/09/96/60/556099660.db2.gz XBUWHCDNZJTNRU-UHFFFAOYSA-N 1 2 356.382 2.403 20 5 FEBDLO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCCN(c2cccc[nH+]2)CC1 ZINC000368699137 556389708 /nfs/dbraw/zinc/38/97/08/556389708.db2.gz XLCSVCGXJXUAPL-UHFFFAOYSA-N 1 2 369.425 2.454 20 5 FEBDLO COCC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000515918887 562025486 /nfs/dbraw/zinc/02/54/86/562025486.db2.gz ZBIKDLMJZNKFLX-OAHLLOKOSA-N 1 2 370.471 2.354 20 5 FEBDLO COCC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000515918887 562025487 /nfs/dbraw/zinc/02/54/87/562025487.db2.gz ZBIKDLMJZNKFLX-OAHLLOKOSA-N 1 2 370.471 2.354 20 5 FEBDLO Cc1n[nH]c(C2CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)n1 ZINC000370378289 556855030 /nfs/dbraw/zinc/85/50/30/556855030.db2.gz YXWNCXGAHCGJGM-UHFFFAOYSA-N 1 2 358.402 2.148 20 5 FEBDLO Cc1nc(C2CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)n[nH]1 ZINC000370378289 556855033 /nfs/dbraw/zinc/85/50/33/556855033.db2.gz YXWNCXGAHCGJGM-UHFFFAOYSA-N 1 2 358.402 2.148 20 5 FEBDLO Cn1c[nH+]cc1CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000517063223 562073952 /nfs/dbraw/zinc/07/39/52/562073952.db2.gz FQAAMHJIXNAPJA-UHFFFAOYSA-N 1 2 360.761 2.140 20 5 FEBDLO Cn1c2cc(F)ccc2[nH+]c1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000517067571 562074402 /nfs/dbraw/zinc/07/44/02/562074402.db2.gz KASKNOCYKLFYIX-UHFFFAOYSA-N 1 2 356.361 2.342 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(c3cc(C)[nH+]cn3)CC2)c1 ZINC000371185820 557100540 /nfs/dbraw/zinc/10/05/40/557100540.db2.gz PEFUCQCWLQEEOB-UHFFFAOYSA-N 1 2 371.397 2.101 20 5 FEBDLO COC(=O)[C@@H]1CCCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000371582455 557229127 /nfs/dbraw/zinc/22/91/27/557229127.db2.gz JZSAPYBQIHGUNV-HNNXBMFYSA-N 1 2 372.381 2.338 20 5 FEBDLO O=C(N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000371706986 557270360 /nfs/dbraw/zinc/27/03/60/557270360.db2.gz MPPKPAPIKSLMON-AEAUEXCSSA-N 1 2 351.353 2.024 20 5 FEBDLO O=C(N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000371706986 557270362 /nfs/dbraw/zinc/27/03/62/557270362.db2.gz MPPKPAPIKSLMON-AEAUEXCSSA-N 1 2 351.353 2.024 20 5 FEBDLO CCOC(=O)c1cc(C(=O)N[C@@H]2CCc3[nH+]c(C)cn3C2)cc([N+](=O)[O-])c1 ZINC000372549534 557500733 /nfs/dbraw/zinc/50/07/33/557500733.db2.gz AXYDSTJTYWSJGX-CQSZACIVSA-N 1 2 372.381 2.021 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)C2 ZINC000372549579 557500812 /nfs/dbraw/zinc/50/08/12/557500812.db2.gz CHLMUDXGNHOEIW-HNNXBMFYSA-N 1 2 369.425 2.445 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)C2 ZINC000372549900 557500815 /nfs/dbraw/zinc/50/08/15/557500815.db2.gz HUERISSYQPJTCG-LBPRGKRZSA-N 1 2 373.369 2.370 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000372671694 557534238 /nfs/dbraw/zinc/53/42/38/557534238.db2.gz AJTDRGOZXZNRIK-QGZVFWFLSA-N 1 2 370.409 2.279 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000372671694 557534239 /nfs/dbraw/zinc/53/42/39/557534239.db2.gz AJTDRGOZXZNRIK-QGZVFWFLSA-N 1 2 370.409 2.279 20 5 FEBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000374379564 557875244 /nfs/dbraw/zinc/87/52/44/557875244.db2.gz XDEMADYXNJTSFN-GOSISDBHSA-N 1 2 365.393 2.187 20 5 FEBDLO O=C(NCC1CCOCC1)[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000374392911 557877837 /nfs/dbraw/zinc/87/78/37/557877837.db2.gz UTWYKTVNNVLWMY-QGZVFWFLSA-N 1 2 365.405 2.241 20 5 FEBDLO O=C(NCC1CCOCC1)[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000374392911 557877838 /nfs/dbraw/zinc/87/78/38/557877838.db2.gz UTWYKTVNNVLWMY-QGZVFWFLSA-N 1 2 365.405 2.241 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000375757312 558078158 /nfs/dbraw/zinc/07/81/58/558078158.db2.gz JPCLYHGTLUHUCP-CYBMUJFWSA-N 1 2 373.413 2.155 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000375757312 558078160 /nfs/dbraw/zinc/07/81/60/558078160.db2.gz JPCLYHGTLUHUCP-CYBMUJFWSA-N 1 2 373.413 2.155 20 5 FEBDLO Cn1c(Cl)cnc1C[N@@H+]1CCCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000376218709 558143348 /nfs/dbraw/zinc/14/33/48/558143348.db2.gz CKDLGNDHRMBTND-UHFFFAOYSA-N 1 2 364.837 2.276 20 5 FEBDLO Cn1c(Cl)cnc1C[N@H+]1CCCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000376218709 558143349 /nfs/dbraw/zinc/14/33/49/558143349.db2.gz CKDLGNDHRMBTND-UHFFFAOYSA-N 1 2 364.837 2.276 20 5 FEBDLO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1)c1ccoc1 ZINC000377308067 558311785 /nfs/dbraw/zinc/31/17/85/558311785.db2.gz KSTWORLYKKOFPH-UHFFFAOYSA-N 1 2 374.353 2.490 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000377366189 558326715 /nfs/dbraw/zinc/32/67/15/558326715.db2.gz OYYKPLIHBRYZOK-AAEUAGOBSA-N 1 2 353.806 2.183 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000377663250 558389888 /nfs/dbraw/zinc/38/98/88/558389888.db2.gz UNJMQHXJJUBKRL-WMLDXEAASA-N 1 2 374.441 2.399 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000377663250 558389890 /nfs/dbraw/zinc/38/98/90/558389890.db2.gz UNJMQHXJJUBKRL-WMLDXEAASA-N 1 2 374.441 2.399 20 5 FEBDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411425365 558892579 /nfs/dbraw/zinc/89/25/79/558892579.db2.gz MJIMCJLZSMDOJP-INIZCTEOSA-N 1 2 373.413 2.337 20 5 FEBDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411425365 558892581 /nfs/dbraw/zinc/89/25/81/558892581.db2.gz MJIMCJLZSMDOJP-INIZCTEOSA-N 1 2 373.413 2.337 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000412053174 559007168 /nfs/dbraw/zinc/00/71/68/559007168.db2.gz FAPNVZVQNNPAJU-CQSZACIVSA-N 1 2 360.414 2.010 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H](N2CCCC2=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000412053174 559007169 /nfs/dbraw/zinc/00/71/69/559007169.db2.gz FAPNVZVQNNPAJU-CQSZACIVSA-N 1 2 360.414 2.010 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1F ZINC000412216742 559020687 /nfs/dbraw/zinc/02/06/87/559020687.db2.gz OMKSUYMWRJUTDH-NSHDSACASA-N 1 2 362.361 2.035 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)c1F ZINC000412332924 559028660 /nfs/dbraw/zinc/02/86/60/559028660.db2.gz JVVDGBHVEHWLSC-MRXNPFEDSA-N 1 2 362.361 2.286 20 5 FEBDLO C[C@@H](O)CNc1cc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nc[nH+]1 ZINC000413162878 559084349 /nfs/dbraw/zinc/08/43/49/559084349.db2.gz DHXCLRAEUQZLTF-CYBMUJFWSA-N 1 2 373.413 2.225 20 5 FEBDLO C[C@@H](O)CNc1cc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[nH+]cn1 ZINC000413162878 559084350 /nfs/dbraw/zinc/08/43/50/559084350.db2.gz DHXCLRAEUQZLTF-CYBMUJFWSA-N 1 2 373.413 2.225 20 5 FEBDLO C[C@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000413578041 559118168 /nfs/dbraw/zinc/11/81/68/559118168.db2.gz XORMSTQDKXYLHQ-ZDUSSCGKSA-N 1 2 350.419 2.066 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000427377601 559754274 /nfs/dbraw/zinc/75/42/74/559754274.db2.gz ZURQJPYMZBNFDK-UHFFFAOYSA-N 1 2 372.381 2.396 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]c(NC[C@@H](c3cccs3)[NH+]3CCOCC3)nc2c1 ZINC000427992975 559767208 /nfs/dbraw/zinc/76/72/08/559767208.db2.gz NGTWLCILEBTTNS-HNNXBMFYSA-N 1 2 373.438 2.440 20 5 FEBDLO COc1cc[nH+]cc1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000431591517 559841975 /nfs/dbraw/zinc/84/19/75/559841975.db2.gz FDCLSJYMURRQFD-UHFFFAOYSA-N 1 2 357.775 2.130 20 5 FEBDLO Cc1cc2[nH+]cn(C[C@H](O)COc3ccc([N+](=O)[O-])c(CO)c3)c2cc1C ZINC000432244511 559854736 /nfs/dbraw/zinc/85/47/36/559854736.db2.gz CMNIFJRGGWOQEE-HNNXBMFYSA-N 1 2 371.393 2.494 20 5 FEBDLO Cc1cc2[nH+]cn(C[C@@H](O)COc3ccc([N+](=O)[O-])c(CO)c3)c2cc1C ZINC000432244512 559854741 /nfs/dbraw/zinc/85/47/41/559854741.db2.gz CMNIFJRGGWOQEE-OAHLLOKOSA-N 1 2 371.393 2.494 20 5 FEBDLO CCOC(=O)c1csc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000433205524 559873669 /nfs/dbraw/zinc/87/36/69/559873669.db2.gz DFPFQYDFRIPCJZ-UHFFFAOYSA-N 1 2 365.415 2.262 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000439871484 560001227 /nfs/dbraw/zinc/00/12/27/560001227.db2.gz PDAVXFKAJIZYIX-CHWSQXEVSA-N 1 2 366.418 2.224 20 5 FEBDLO Cc1cc[nH+]c(N2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC000444655976 560117555 /nfs/dbraw/zinc/11/75/55/560117555.db2.gz YZNJOPZPXGTDJK-UHFFFAOYSA-N 1 2 352.398 2.497 20 5 FEBDLO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000447381217 560161085 /nfs/dbraw/zinc/16/10/85/560161085.db2.gz GFYKHEZGOOYVLI-SWLSCSKDSA-N 1 2 358.822 2.094 20 5 FEBDLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000447381217 560161086 /nfs/dbraw/zinc/16/10/86/560161086.db2.gz GFYKHEZGOOYVLI-SWLSCSKDSA-N 1 2 358.822 2.094 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1noc(C2CC2)n1 ZINC000447799486 560169208 /nfs/dbraw/zinc/16/92/08/560169208.db2.gz IXCZQMOUQFUAEC-UHFFFAOYSA-N 1 2 359.386 2.300 20 5 FEBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OC(C)(C)C ZINC000448939107 560207970 /nfs/dbraw/zinc/20/79/70/560207970.db2.gz WDFGXWXCPCYYKX-NSHDSACASA-N 1 2 360.370 2.241 20 5 FEBDLO COc1ccc(C[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1[N+](=O)[O-] ZINC000449557230 560233432 /nfs/dbraw/zinc/23/34/32/560233432.db2.gz VEPCLKXJZHLDDT-MRXNPFEDSA-N 1 2 354.428 2.004 20 5 FEBDLO COc1ccc(C[N@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1[N+](=O)[O-] ZINC000449557230 560233433 /nfs/dbraw/zinc/23/34/33/560233433.db2.gz VEPCLKXJZHLDDT-MRXNPFEDSA-N 1 2 354.428 2.004 20 5 FEBDLO C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCC[C@@H]1O ZINC000450084980 560250204 /nfs/dbraw/zinc/25/02/04/560250204.db2.gz KESVBOJJMYNNOZ-FUHWJXTLSA-N 1 2 358.398 2.452 20 5 FEBDLO Cn1cc(Cl)c(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])n1 ZINC000450720722 560271416 /nfs/dbraw/zinc/27/14/16/560271416.db2.gz UNFNBNSJYHUCSY-UHFFFAOYSA-N 1 2 365.821 2.426 20 5 FEBDLO CN(C)c1ncccc1O[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000451028520 560283277 /nfs/dbraw/zinc/28/32/77/560283277.db2.gz PELNPVSTNFQZIG-OAHLLOKOSA-N 1 2 358.398 2.415 20 5 FEBDLO CN(C)c1ncccc1O[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000451028520 560283278 /nfs/dbraw/zinc/28/32/78/560283278.db2.gz PELNPVSTNFQZIG-OAHLLOKOSA-N 1 2 358.398 2.415 20 5 FEBDLO COC(=O)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000451121542 560288286 /nfs/dbraw/zinc/28/82/86/560288286.db2.gz RYUYLJJCEOOOOA-JSGCOSHPSA-N 1 2 372.381 2.052 20 5 FEBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCOC[C@H](O)C2)cc1OC ZINC000451231433 560294611 /nfs/dbraw/zinc/29/46/11/560294611.db2.gz CRBIKPSTORNSAU-DZGCQCFKSA-N 1 2 368.430 2.221 20 5 FEBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCOC[C@H](O)C2)cc1OC ZINC000451231433 560294612 /nfs/dbraw/zinc/29/46/12/560294612.db2.gz CRBIKPSTORNSAU-DZGCQCFKSA-N 1 2 368.430 2.221 20 5 FEBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H](C2CC2)O1 ZINC000451324941 560300360 /nfs/dbraw/zinc/30/03/60/560300360.db2.gz MHTOWFYPNSIBGE-SJCJKPOMSA-N 1 2 356.382 2.420 20 5 FEBDLO COC(=O)[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCC1 ZINC000451343789 560301595 /nfs/dbraw/zinc/30/15/95/560301595.db2.gz PXDHARSQKZATGG-GFCCVEGCSA-N 1 2 372.381 2.337 20 5 FEBDLO Cn1ccnc1[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000451675817 560321439 /nfs/dbraw/zinc/32/14/39/560321439.db2.gz BMVZORACKSYITD-INIZCTEOSA-N 1 2 366.381 2.395 20 5 FEBDLO CO[C@@H]1C[C@H]([N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000451861433 560333001 /nfs/dbraw/zinc/33/30/01/560333001.db2.gz XMGZVTCQAQKSBI-JKSUJKDBSA-N 1 2 368.455 2.258 20 5 FEBDLO CO[C@@H]1C[C@H]([N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000451861433 560333002 /nfs/dbraw/zinc/33/30/02/560333002.db2.gz XMGZVTCQAQKSBI-JKSUJKDBSA-N 1 2 368.455 2.258 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451883026 560334256 /nfs/dbraw/zinc/33/42/56/560334256.db2.gz CUSDYRCSBQLQMY-QMTHXVAHSA-N 1 2 361.320 2.087 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451883026 560334257 /nfs/dbraw/zinc/33/42/57/560334257.db2.gz CUSDYRCSBQLQMY-QMTHXVAHSA-N 1 2 361.320 2.087 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451904746 560336119 /nfs/dbraw/zinc/33/61/19/560336119.db2.gz KITIJDAIZQKCAY-IINYFYTJSA-N 1 2 361.320 2.087 20 5 FEBDLO 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CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000596912998 673425286 /nfs/dbraw/zinc/42/52/86/673425286.db2.gz QYGISMXXMBOJMN-OLZOCXBDSA-N 1 2 350.419 2.388 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000596912998 673425287 /nfs/dbraw/zinc/42/52/87/673425287.db2.gz QYGISMXXMBOJMN-OLZOCXBDSA-N 1 2 350.419 2.388 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000596912999 673425311 /nfs/dbraw/zinc/42/53/11/673425311.db2.gz QYGISMXXMBOJMN-QWHCGFSZSA-N 1 2 350.419 2.388 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000596912999 673425312 /nfs/dbraw/zinc/42/53/12/673425312.db2.gz QYGISMXXMBOJMN-QWHCGFSZSA-N 1 2 350.419 2.388 20 5 FEBDLO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1SC ZINC000598948604 673624412 /nfs/dbraw/zinc/62/44/12/673624412.db2.gz RQBGRLCMAIPGAS-JTQLQIEISA-N 1 2 362.411 2.267 20 5 FEBDLO COC(=O)[C@]1(OC)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000599557570 673691331 /nfs/dbraw/zinc/69/13/31/673691331.db2.gz AEJVDQLNCFJZRH-AWEZNQCLSA-N 1 2 362.304 2.378 20 5 FEBDLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000599557570 673691333 /nfs/dbraw/zinc/69/13/33/673691333.db2.gz AEJVDQLNCFJZRH-AWEZNQCLSA-N 1 2 362.304 2.378 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(Br)c1 ZINC000742401134 673726455 /nfs/dbraw/zinc/72/64/55/673726455.db2.gz NGZGVDGJHWQRIG-CABCVRRESA-N 1 2 370.247 2.393 20 5 FEBDLO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)OC(C)(C)C ZINC000602592259 673908253 /nfs/dbraw/zinc/90/82/53/673908253.db2.gz IHRIKYPYFPKVHC-GFCCVEGCSA-N 1 2 350.419 2.278 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000602879512 673912090 /nfs/dbraw/zinc/91/20/90/673912090.db2.gz AFYQLRYMVCSIGZ-AWEZNQCLSA-N 1 2 369.462 2.374 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000602879512 673912092 /nfs/dbraw/zinc/91/20/92/673912092.db2.gz AFYQLRYMVCSIGZ-AWEZNQCLSA-N 1 2 369.462 2.374 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000618465188 676340906 /nfs/dbraw/zinc/34/09/06/676340906.db2.gz KXJWEWGXLVTDLR-ZDUSSCGKSA-N 1 2 353.806 2.103 20 5 FEBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000619846552 676397068 /nfs/dbraw/zinc/39/70/68/676397068.db2.gz KTRZOXMPDBDVLY-UTCJRWHESA-N 1 2 365.455 2.108 20 5 FEBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000619846552 676397070 /nfs/dbraw/zinc/39/70/70/676397070.db2.gz KTRZOXMPDBDVLY-UTCJRWHESA-N 1 2 365.455 2.108 20 5 FEBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC001005379204 680573426 /nfs/dbraw/zinc/57/34/26/680573426.db2.gz QFTUDWJZFVZJHE-CHWSQXEVSA-N 1 2 357.863 2.490 20 5 FEBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841707061 680908347 /nfs/dbraw/zinc/90/83/47/680908347.db2.gz MYQFNABHJRGRKB-UHFFFAOYSA-N 1 2 356.810 2.481 20 5 FEBDLO C[N@H+](Cc1ccns1)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050244761 681043955 /nfs/dbraw/zinc/04/39/55/681043955.db2.gz VTVBYNMPHMCINF-HZPDHXFCSA-N 1 2 360.439 2.057 20 5 FEBDLO C[N@@H+](Cc1ccns1)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050244761 681043957 /nfs/dbraw/zinc/04/39/57/681043957.db2.gz VTVBYNMPHMCINF-HZPDHXFCSA-N 1 2 360.439 2.057 20 5 FEBDLO COC(=O)[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774638267 681214221 /nfs/dbraw/zinc/21/42/21/681214221.db2.gz QSHBFYTXJAOLMC-JTQLQIEISA-N 1 2 352.778 2.440 20 5 FEBDLO COC(=O)[C@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774638267 681214225 /nfs/dbraw/zinc/21/42/25/681214225.db2.gz QSHBFYTXJAOLMC-JTQLQIEISA-N 1 2 352.778 2.440 20 5 FEBDLO O=C1NC2(CO1)CC[NH+](Cn1ncc3cc([N+](=O)[O-])cc(Cl)c31)CC2 ZINC000784020650 682193687 /nfs/dbraw/zinc/19/36/87/682193687.db2.gz JEHACPAJAPFWFS-UHFFFAOYSA-N 1 2 365.777 2.130 20 5 FEBDLO COC(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000852569569 682300658 /nfs/dbraw/zinc/30/06/58/682300658.db2.gz AVFXVZBZACJMNB-SNVBAGLBSA-N 1 2 372.809 2.205 20 5 FEBDLO COC(=O)N(C)CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000852569569 682300661 /nfs/dbraw/zinc/30/06/61/682300661.db2.gz AVFXVZBZACJMNB-SNVBAGLBSA-N 1 2 372.809 2.205 20 5 FEBDLO CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CC[N@H+](CCF)C2)cc1OC ZINC000788082361 682502437 /nfs/dbraw/zinc/50/24/37/682502437.db2.gz XYXFXCOQFQIPKM-LLVKDONJSA-N 1 2 356.350 2.203 20 5 FEBDLO CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)cc1OC ZINC000788082361 682502438 /nfs/dbraw/zinc/50/24/38/682502438.db2.gz XYXFXCOQFQIPKM-LLVKDONJSA-N 1 2 356.350 2.203 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H](C(F)(F)F)O1 ZINC000880060828 686990287 /nfs/dbraw/zinc/99/02/87/686990287.db2.gz YSPRPWGRCLMFML-RNCFNFMXSA-N 1 2 361.320 2.235 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H](C(F)(F)F)O1 ZINC000880060828 686990288 /nfs/dbraw/zinc/99/02/88/686990288.db2.gz YSPRPWGRCLMFML-RNCFNFMXSA-N 1 2 361.320 2.235 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886800964 688314827 /nfs/dbraw/zinc/31/48/27/688314827.db2.gz FOKQHWHZYLOTOJ-YGRLFVJLSA-N 1 2 361.320 2.169 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886800964 688314832 /nfs/dbraw/zinc/31/48/32/688314832.db2.gz FOKQHWHZYLOTOJ-YGRLFVJLSA-N 1 2 361.320 2.169 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000888279563 688576658 /nfs/dbraw/zinc/57/66/58/688576658.db2.gz JRFDECGZOAPIPS-LBPRGKRZSA-N 1 2 368.821 2.495 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cn[nH]c3)CC2)cc1OC(F)F ZINC000895959971 689799869 /nfs/dbraw/zinc/79/98/69/689799869.db2.gz KZIIPXYDYOHWDR-UHFFFAOYSA-N 1 2 353.329 2.242 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccccc2O)CC1 ZINC000003538605 539369529 /nfs/dbraw/zinc/36/95/29/539369529.db2.gz IKPARACDWWEXRP-AWEZNQCLSA-N 1 2 370.409 2.450 20 5 FEBDLO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000011596253 539530962 /nfs/dbraw/zinc/53/09/62/539530962.db2.gz HTCNXVUAEBPIOB-UHFFFAOYSA-N 1 2 355.398 2.141 20 5 FEBDLO CNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000029162817 539845560 /nfs/dbraw/zinc/84/55/60/539845560.db2.gz GRSHCRKPTFWLNU-SNVBAGLBSA-N 1 2 368.821 2.033 20 5 FEBDLO CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000031814831 539920342 /nfs/dbraw/zinc/92/03/42/539920342.db2.gz KLGPMBAPLCSNGC-CQSZACIVSA-N 1 2 372.381 2.196 20 5 FEBDLO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000032248033 539931786 /nfs/dbraw/zinc/93/17/86/539931786.db2.gz IPXARBZEPYXPLZ-GOSISDBHSA-N 1 2 369.421 2.155 20 5 FEBDLO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000032248033 539931789 /nfs/dbraw/zinc/93/17/89/539931789.db2.gz IPXARBZEPYXPLZ-GOSISDBHSA-N 1 2 369.421 2.155 20 5 FEBDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000042109961 540051835 /nfs/dbraw/zinc/05/18/35/540051835.db2.gz DEEVAYABCVGCHU-CQSZACIVSA-N 1 2 371.441 2.180 20 5 FEBDLO C[C@H]1CN(c2ccc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3)c[nH+]2)CCO1 ZINC000044552738 540130322 /nfs/dbraw/zinc/13/03/22/540130322.db2.gz NKSWJZSPDHFTGE-AWEZNQCLSA-N 1 2 370.409 2.074 20 5 FEBDLO CCOc1cc(C(=O)NCc2ccc(N(C)C)[nH+]c2)c([N+](=O)[O-])cc1OC ZINC000046387177 540255094 /nfs/dbraw/zinc/25/50/94/540255094.db2.gz NHWIKRCKHPWMEQ-UHFFFAOYSA-N 1 2 374.397 2.393 20 5 FEBDLO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743347 540327122 /nfs/dbraw/zinc/32/71/22/540327122.db2.gz XILXDOKCPAQHCB-YJBOKZPZSA-N 1 2 360.458 2.412 20 5 FEBDLO CN(C)c1[nH+]cccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000049728977 540393183 /nfs/dbraw/zinc/39/31/83/540393183.db2.gz UZVSOXYMZMFZQW-UHFFFAOYSA-N 1 2 352.354 2.494 20 5 FEBDLO CC(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000050992369 540418445 /nfs/dbraw/zinc/41/84/45/540418445.db2.gz UTQLNSPYKJSLTJ-SNVBAGLBSA-N 1 2 368.821 2.176 20 5 FEBDLO CC(C)CN(C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)C ZINC000052610732 540477274 /nfs/dbraw/zinc/47/72/74/540477274.db2.gz MDXOZLUMFLYQDL-UHFFFAOYSA-N 1 2 363.462 2.005 20 5 FEBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000054868235 540615062 /nfs/dbraw/zinc/61/50/62/540615062.db2.gz CQHIOFGCPWGSMM-UHFFFAOYSA-N 1 2 356.382 2.108 20 5 FEBDLO CNC(=O)c1ccc(NCc2cccnc2-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000064905831 541220765 /nfs/dbraw/zinc/22/07/65/541220765.db2.gz PEWDESUYEJPIKP-UHFFFAOYSA-N 1 2 352.354 2.147 20 5 FEBDLO O=C(NCC[NH+]1Cc2ccccc2C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000068255448 541568670 /nfs/dbraw/zinc/56/86/70/541568670.db2.gz OLYTZGUUSGUUPA-UHFFFAOYSA-N 1 2 369.377 2.112 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2cnn(CC)c2)c([N+](=O)[O-])c1 ZINC000072989270 541904403 /nfs/dbraw/zinc/90/44/03/541904403.db2.gz ZEWGTNXWFRWTLO-UHFFFAOYSA-N 1 2 361.402 2.280 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2cnn(CC)c2)c([N+](=O)[O-])c1 ZINC000072989270 541904405 /nfs/dbraw/zinc/90/44/05/541904405.db2.gz ZEWGTNXWFRWTLO-UHFFFAOYSA-N 1 2 361.402 2.280 20 5 FEBDLO O=C1CN(c2ccc(Nc3ccc([N+](=O)[O-])c4cnccc34)c[nH+]2)CCN1 ZINC000075669350 542196587 /nfs/dbraw/zinc/19/65/87/542196587.db2.gz PZTYPIHJCHTQJQ-UHFFFAOYSA-N 1 2 364.365 2.218 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCOC[C@H]2c2ccccc2)c1 ZINC000076119169 542235136 /nfs/dbraw/zinc/23/51/36/542235136.db2.gz NNWVAIXUFGSOMI-HKUYNNGSSA-N 1 2 358.394 2.408 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCOC[C@H]2c2ccccc2)c1 ZINC000076119169 542235141 /nfs/dbraw/zinc/23/51/41/542235141.db2.gz NNWVAIXUFGSOMI-HKUYNNGSSA-N 1 2 358.394 2.408 20 5 FEBDLO C[C@H](Sc1[nH+]cnc2c1cnn2C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000011681177 207318851 /nfs/dbraw/zinc/31/88/51/207318851.db2.gz AYHHYRIRTGUKOF-VIFPVBQESA-N 1 2 358.383 2.391 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3nc(-c4ccccn4)no3)CC2)cc1 ZINC000078468863 542463359 /nfs/dbraw/zinc/46/33/59/542463359.db2.gz MOBHMUHRQPGJSK-UHFFFAOYSA-N 1 2 366.381 2.362 20 5 FEBDLO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744396 132302148 /nfs/dbraw/zinc/30/21/48/132302148.db2.gz UKVWXNTZTHYACN-INIZCTEOSA-N 1 2 360.458 2.364 20 5 FEBDLO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000090002016 542781100 /nfs/dbraw/zinc/78/11/00/542781100.db2.gz GXZJCFRLDLWSKU-IUODEOHRSA-N 1 2 363.805 2.455 20 5 FEBDLO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000090002016 542781103 /nfs/dbraw/zinc/78/11/03/542781103.db2.gz GXZJCFRLDLWSKU-IUODEOHRSA-N 1 2 363.805 2.455 20 5 FEBDLO CCO[C@@H](C)c1nc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cs1 ZINC000090550895 542785942 /nfs/dbraw/zinc/78/59/42/542785942.db2.gz TZHRCQOUXPCFSP-LBPRGKRZSA-N 1 2 366.443 2.443 20 5 FEBDLO CCO[C@@H](C)c1nc(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cs1 ZINC000090550895 542785945 /nfs/dbraw/zinc/78/59/45/542785945.db2.gz TZHRCQOUXPCFSP-LBPRGKRZSA-N 1 2 366.443 2.443 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089968766 542780208 /nfs/dbraw/zinc/78/02/08/542780208.db2.gz HVOOPWIVEVIUDO-JTQLQIEISA-N 1 2 361.320 2.311 20 5 FEBDLO Cc1ccc(CN2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000093843305 542942997 /nfs/dbraw/zinc/94/29/97/542942997.db2.gz XVRLSAVBMPMAOL-INIZCTEOSA-N 1 2 360.458 2.032 20 5 FEBDLO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000101565154 543033400 /nfs/dbraw/zinc/03/34/00/543033400.db2.gz RJCPNZNBOVMHBP-HNNXBMFYSA-N 1 2 363.414 2.342 20 5 FEBDLO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000101565154 543033402 /nfs/dbraw/zinc/03/34/02/543033402.db2.gz RJCPNZNBOVMHBP-HNNXBMFYSA-N 1 2 363.414 2.342 20 5 FEBDLO C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H](C)[NH+]1CCOCC1 ZINC000104592399 543135699 /nfs/dbraw/zinc/13/56/99/543135699.db2.gz HDKYGJZJLBJGOE-CHWSQXEVSA-N 1 2 362.430 2.008 20 5 FEBDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000106581960 543239326 /nfs/dbraw/zinc/23/93/26/543239326.db2.gz JSGSQUYFZWDRMW-LLVKDONJSA-N 1 2 355.826 2.006 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000125462811 543883397 /nfs/dbraw/zinc/88/33/97/543883397.db2.gz HMXSTBZJHKGLPM-UHFFFAOYSA-N 1 2 358.807 2.111 20 5 FEBDLO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000128128155 544033897 /nfs/dbraw/zinc/03/38/97/544033897.db2.gz VVTKSGVBMFNKNR-UHFFFAOYSA-N 1 2 363.805 2.319 20 5 FEBDLO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000128128155 544033899 /nfs/dbraw/zinc/03/38/99/544033899.db2.gz VVTKSGVBMFNKNR-UHFFFAOYSA-N 1 2 363.805 2.319 20 5 FEBDLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000131289559 544183997 /nfs/dbraw/zinc/18/39/97/544183997.db2.gz FUYHXTLHNLTXST-GFCCVEGCSA-N 1 2 366.381 2.265 20 5 FEBDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000134544886 544312458 /nfs/dbraw/zinc/31/24/58/544312458.db2.gz VYPXOEHUMJLNCD-UHFFFAOYSA-N 1 2 358.807 2.156 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCOC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000135630864 544357173 /nfs/dbraw/zinc/35/71/73/544357173.db2.gz MOYQDEHWAFKZFD-AWEZNQCLSA-N 1 2 363.414 2.112 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCOC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000135630864 544357174 /nfs/dbraw/zinc/35/71/74/544357174.db2.gz MOYQDEHWAFKZFD-AWEZNQCLSA-N 1 2 363.414 2.112 20 5 FEBDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)S1 ZINC000137258982 544387928 /nfs/dbraw/zinc/38/79/28/544387928.db2.gz COYFXBYHKMRSFC-JTQLQIEISA-N 1 2 368.846 2.497 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000140996856 544411126 /nfs/dbraw/zinc/41/11/26/544411126.db2.gz REDBHBJGMVLXNS-UHFFFAOYSA-N 1 2 357.414 2.078 20 5 FEBDLO Cc1cccn2c(=O)cc(C[N@@H+]3CCc4c(cccc4[N+](=O)[O-])C3)nc12 ZINC000153262581 544753954 /nfs/dbraw/zinc/75/39/54/544753954.db2.gz MYRRUBYNYJWUTM-UHFFFAOYSA-N 1 2 350.378 2.469 20 5 FEBDLO Cc1cccn2c(=O)cc(C[N@H+]3CCc4c(cccc4[N+](=O)[O-])C3)nc12 ZINC000153262581 544753960 /nfs/dbraw/zinc/75/39/60/544753960.db2.gz MYRRUBYNYJWUTM-UHFFFAOYSA-N 1 2 350.378 2.469 20 5 FEBDLO Cc1nc(C2([NH2+]C[C@H](O)COc3ccccc3[N+](=O)[O-])CCCC2)no1 ZINC000181927266 327753182 /nfs/dbraw/zinc/75/31/82/327753182.db2.gz WLLLHRVQJUQJSH-ZDUSSCGKSA-N 1 2 362.386 2.085 20 5 FEBDLO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)Cn1cc[nH+]c1 ZINC000182082751 327760114 /nfs/dbraw/zinc/76/01/14/327760114.db2.gz FFFBJMMQABPQDY-JTQLQIEISA-N 1 2 354.313 2.459 20 5 FEBDLO CC[C@H](C)NC(=O)CN1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182613542 327782376 /nfs/dbraw/zinc/78/23/76/327782376.db2.gz VEBRNSYCJJZGPE-HOTGVXAUSA-N 1 2 362.474 2.497 20 5 FEBDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1O ZINC000184601805 327874827 /nfs/dbraw/zinc/87/48/27/327874827.db2.gz IKDNEYATAGINCK-UHFFFAOYSA-N 1 2 371.393 2.063 20 5 FEBDLO CSc1cccc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000188139031 328068828 /nfs/dbraw/zinc/06/88/28/328068828.db2.gz LNXZTVJOVNBKKW-NWDGAFQWSA-N 1 2 353.444 2.156 20 5 FEBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@@H](O)COCc3cccs3)C2)cc1 ZINC000189462192 328149788 /nfs/dbraw/zinc/14/97/88/328149788.db2.gz FTFVYGOCKUTGOE-CQSZACIVSA-N 1 2 364.423 2.297 20 5 FEBDLO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](O)C(F)(F)F ZINC000189518947 328152606 /nfs/dbraw/zinc/15/26/06/328152606.db2.gz YATPHKREMVZNBJ-LLVKDONJSA-N 1 2 369.727 2.432 20 5 FEBDLO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](O)C(F)(F)F ZINC000189518947 328152607 /nfs/dbraw/zinc/15/26/07/328152607.db2.gz YATPHKREMVZNBJ-LLVKDONJSA-N 1 2 369.727 2.432 20 5 FEBDLO COCCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000189677635 328161572 /nfs/dbraw/zinc/16/15/72/328161572.db2.gz VBTGZUCCBAFRSJ-AAEUAGOBSA-N 1 2 371.821 2.313 20 5 FEBDLO COCCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000189677635 328161573 /nfs/dbraw/zinc/16/15/73/328161573.db2.gz VBTGZUCCBAFRSJ-AAEUAGOBSA-N 1 2 371.821 2.313 20 5 FEBDLO CCO[C@@H]1C[C@]([NH2+]CCc2ccc([N+](=O)[O-])cc2)(C(=O)OC)C1(C)C ZINC000189837920 328170844 /nfs/dbraw/zinc/17/08/44/328170844.db2.gz FSVDIZXTKHTKTN-QAPCUYQASA-N 1 2 350.415 2.474 20 5 FEBDLO COCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1cccnc1 ZINC000191120632 328250776 /nfs/dbraw/zinc/25/07/76/328250776.db2.gz XJUWYUPTYSAXCN-UHFFFAOYSA-N 1 2 358.398 2.385 20 5 FEBDLO COCC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1cccnc1 ZINC000191120632 328250777 /nfs/dbraw/zinc/25/07/77/328250777.db2.gz XJUWYUPTYSAXCN-UHFFFAOYSA-N 1 2 358.398 2.385 20 5 FEBDLO COCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000191237087 328255667 /nfs/dbraw/zinc/25/56/67/328255667.db2.gz PEXDZNDDENTLNL-UHFFFAOYSA-N 1 2 358.398 2.101 20 5 FEBDLO COCC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000191237087 328255668 /nfs/dbraw/zinc/25/56/68/328255668.db2.gz PEXDZNDDENTLNL-UHFFFAOYSA-N 1 2 358.398 2.101 20 5 FEBDLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000016482917 324386403 /nfs/dbraw/zinc/38/64/03/324386403.db2.gz DDTKNYFWVGBBFA-LLVKDONJSA-N 1 2 369.805 2.462 20 5 FEBDLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000016482917 324386405 /nfs/dbraw/zinc/38/64/05/324386405.db2.gz DDTKNYFWVGBBFA-LLVKDONJSA-N 1 2 369.805 2.462 20 5 FEBDLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000016482919 324386489 /nfs/dbraw/zinc/38/64/89/324386489.db2.gz DDTKNYFWVGBBFA-NSHDSACASA-N 1 2 369.805 2.462 20 5 FEBDLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000016482919 324386494 /nfs/dbraw/zinc/38/64/94/324386494.db2.gz DDTKNYFWVGBBFA-NSHDSACASA-N 1 2 369.805 2.462 20 5 FEBDLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000056965727 324815917 /nfs/dbraw/zinc/81/59/17/324815917.db2.gz NAWQSXKFJNDKNW-UHFFFAOYSA-N 1 2 372.400 2.286 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000080908031 325146623 /nfs/dbraw/zinc/14/66/23/325146623.db2.gz GFIXNFMODLNBIA-ZDUSSCGKSA-N 1 2 353.806 2.185 20 5 FEBDLO O=C(NC1CC[NH+](CCc2ccncc2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000101674009 325476888 /nfs/dbraw/zinc/47/68/88/325476888.db2.gz KBTHPFRPSHECOT-UHFFFAOYSA-N 1 2 370.409 2.132 20 5 FEBDLO CC(C)C(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000108181977 325638590 /nfs/dbraw/zinc/63/85/90/325638590.db2.gz RJTPQUKBKBTLRC-CYBMUJFWSA-N 1 2 362.430 2.158 20 5 FEBDLO Cc1nn(Cc2ccc(C(=O)NCc3[nH]cc[nH+]3)cc2)c(C)c1[N+](=O)[O-] ZINC000114338350 325883041 /nfs/dbraw/zinc/88/30/41/325883041.db2.gz IRFISIZCFVEMPY-UHFFFAOYSA-N 1 2 354.370 2.110 20 5 FEBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000114706759 325915487 /nfs/dbraw/zinc/91/54/87/325915487.db2.gz AUZKCEMOGRNRIV-AWEZNQCLSA-N 1 2 355.398 2.212 20 5 FEBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000120033434 326223497 /nfs/dbraw/zinc/22/34/97/326223497.db2.gz XQDLNXJOFHPJCQ-CQSZACIVSA-N 1 2 358.398 2.188 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000120318688 326249026 /nfs/dbraw/zinc/24/90/26/326249026.db2.gz XOGWXBDDUNLHDF-KBPBESRZSA-N 1 2 350.419 2.442 20 5 FEBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCN(c2cccc[nH+]2)CC1 ZINC000122204511 326388008 /nfs/dbraw/zinc/38/80/08/326388008.db2.gz OYZJOMLDWPNTLS-UHFFFAOYSA-N 1 2 365.393 2.362 20 5 FEBDLO CC(C)(CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000123707837 326440831 /nfs/dbraw/zinc/44/08/31/326440831.db2.gz NNNVZCMQNBIDJF-UHFFFAOYSA-N 1 2 359.423 2.277 20 5 FEBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000128065313 326517407 /nfs/dbraw/zinc/51/74/07/326517407.db2.gz JSDVQDQYUIHSJX-INIZCTEOSA-N 1 2 367.409 2.336 20 5 FEBDLO 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ZINC000174320264 327319643 /nfs/dbraw/zinc/31/96/43/327319643.db2.gz ZSPHHNYWKBLBCP-VXGBXAGGSA-N 1 2 363.439 2.337 20 5 FEBDLO Cc1[nH]nc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000264232672 329002601 /nfs/dbraw/zinc/00/26/01/329002601.db2.gz MGBWBFMFLRTMOV-LBPRGKRZSA-N 1 2 359.386 2.272 20 5 FEBDLO CNC(=O)[C@H]1CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000264691698 329049359 /nfs/dbraw/zinc/04/93/59/329049359.db2.gz CMHDPDWCLVJFAT-AWEZNQCLSA-N 1 2 355.398 2.323 20 5 FEBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000266366249 329215519 /nfs/dbraw/zinc/21/55/19/329215519.db2.gz FUOIAEMPMQQKSY-UHFFFAOYSA-N 1 2 372.429 2.400 20 5 FEBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000266366249 329215520 /nfs/dbraw/zinc/21/55/20/329215520.db2.gz FUOIAEMPMQQKSY-UHFFFAOYSA-N 1 2 372.429 2.400 20 5 FEBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[NH+](C2CC2)CC1 ZINC000267948333 329370904 /nfs/dbraw/zinc/37/09/04/329370904.db2.gz VFYGQOOQWHSNBK-UHFFFAOYSA-N 1 2 372.194 2.417 20 5 FEBDLO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000268046316 329380209 /nfs/dbraw/zinc/38/02/09/329380209.db2.gz JJLUVQXTORXEGY-SNVBAGLBSA-N 1 2 354.363 2.025 20 5 FEBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000269248634 329500700 /nfs/dbraw/zinc/50/07/00/329500700.db2.gz ALKKKADLPZKHEF-UHFFFAOYSA-N 1 2 372.381 2.152 20 5 FEBDLO C[C@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000271449864 329694755 /nfs/dbraw/zinc/69/47/55/329694755.db2.gz WWRUVVIFUWZHPQ-JQWIXIFHSA-N 1 2 370.456 2.344 20 5 FEBDLO O=C(N1CCN(c2cccc[nH+]2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272070103 329749274 /nfs/dbraw/zinc/74/92/74/329749274.db2.gz CGZYBYYULRKABS-UHFFFAOYSA-N 1 2 362.336 2.430 20 5 FEBDLO Cc1cc(N2CCOC[C@H]2C[C@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000274303666 329936211 /nfs/dbraw/zinc/93/62/11/329936211.db2.gz ORLRQXJKIWXMAW-XJKSGUPXSA-N 1 2 358.398 2.336 20 5 FEBDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000275782198 330088419 /nfs/dbraw/zinc/08/84/19/330088419.db2.gz CIIZFUDHXXAAGK-PRDNVKDRSA-N 1 2 356.382 2.378 20 5 FEBDLO Cc1sc(C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000276230413 330131692 /nfs/dbraw/zinc/13/16/92/330131692.db2.gz DWUDFXMDPULSKV-ZDUSSCGKSA-N 1 2 353.444 2.148 20 5 FEBDLO Cc1sc(C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000276230413 330131693 /nfs/dbraw/zinc/13/16/93/330131693.db2.gz DWUDFXMDPULSKV-ZDUSSCGKSA-N 1 2 353.444 2.148 20 5 FEBDLO CCOCCO[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000157575754 545755930 /nfs/dbraw/zinc/75/59/30/545755930.db2.gz RIGTULBSPXCCIV-HNNXBMFYSA-N 1 2 362.386 2.272 20 5 FEBDLO CCOCCO[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000157575754 545755932 /nfs/dbraw/zinc/75/59/32/545755932.db2.gz RIGTULBSPXCCIV-HNNXBMFYSA-N 1 2 362.386 2.272 20 5 FEBDLO CO[C@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000477739971 561152335 /nfs/dbraw/zinc/15/23/35/561152335.db2.gz HCFMBZCXMOZOQB-LLVKDONJSA-N 1 2 363.374 2.146 20 5 FEBDLO CO[C@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000477739971 561152336 /nfs/dbraw/zinc/15/23/36/561152336.db2.gz HCFMBZCXMOZOQB-LLVKDONJSA-N 1 2 363.374 2.146 20 5 FEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000158829964 545898760 /nfs/dbraw/zinc/89/87/60/545898760.db2.gz UGXNGSDKIIHJCK-CQSZACIVSA-N 1 2 365.455 2.300 20 5 FEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000158829964 545898763 /nfs/dbraw/zinc/89/87/63/545898763.db2.gz UGXNGSDKIIHJCK-CQSZACIVSA-N 1 2 365.455 2.300 20 5 FEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000158830087 545899300 /nfs/dbraw/zinc/89/93/00/545899300.db2.gz UGXNGSDKIIHJCK-AWEZNQCLSA-N 1 2 365.455 2.300 20 5 FEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000158830087 545899304 /nfs/dbraw/zinc/89/93/04/545899304.db2.gz UGXNGSDKIIHJCK-AWEZNQCLSA-N 1 2 365.455 2.300 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)c1C ZINC000479978449 561200440 /nfs/dbraw/zinc/20/04/40/561200440.db2.gz GMLXKTLGXDWJAO-UHFFFAOYSA-N 1 2 350.400 2.473 20 5 FEBDLO C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000481205793 561227923 /nfs/dbraw/zinc/22/79/23/561227923.db2.gz XIEGVHQDQBLRGR-ZFWWWQNUSA-N 1 2 350.325 2.376 20 5 FEBDLO C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000481205793 561227924 /nfs/dbraw/zinc/22/79/24/561227924.db2.gz XIEGVHQDQBLRGR-ZFWWWQNUSA-N 1 2 350.325 2.376 20 5 FEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000481283699 561229658 /nfs/dbraw/zinc/22/96/58/561229658.db2.gz KEJADKWOZBLEHP-ZDUSSCGKSA-N 1 2 357.370 2.453 20 5 FEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000481283699 561229659 /nfs/dbraw/zinc/22/96/59/561229659.db2.gz KEJADKWOZBLEHP-ZDUSSCGKSA-N 1 2 357.370 2.453 20 5 FEBDLO C[N@@H+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc2C1 ZINC000178682868 546831604 /nfs/dbraw/zinc/83/16/04/546831604.db2.gz YGWGLAHRMNDPRK-UHFFFAOYSA-N 1 2 361.423 2.377 20 5 FEBDLO C[N@H+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc2C1 ZINC000178682868 546831608 /nfs/dbraw/zinc/83/16/08/546831608.db2.gz YGWGLAHRMNDPRK-UHFFFAOYSA-N 1 2 361.423 2.377 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2[C@H](C)CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000181401268 547307708 /nfs/dbraw/zinc/30/77/08/547307708.db2.gz RJFLOXDWFOLYTA-CHWSQXEVSA-N 1 2 351.403 2.167 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2[C@H](C)CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000181401268 547307713 /nfs/dbraw/zinc/30/77/13/547307713.db2.gz RJFLOXDWFOLYTA-CHWSQXEVSA-N 1 2 351.403 2.167 20 5 FEBDLO Cn1c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nnc1C1CCC1 ZINC000181465483 547320400 /nfs/dbraw/zinc/32/04/00/547320400.db2.gz XHAHFIXLUKBBCG-CYBMUJFWSA-N 1 2 357.418 2.072 20 5 FEBDLO Cn1c(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nnc1C1CCC1 ZINC000181465483 547320404 /nfs/dbraw/zinc/32/04/04/547320404.db2.gz XHAHFIXLUKBBCG-CYBMUJFWSA-N 1 2 357.418 2.072 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000183570105 547682448 /nfs/dbraw/zinc/68/24/48/547682448.db2.gz BYEHTHXKUMCBEO-UHFFFAOYSA-N 1 2 359.835 2.025 20 5 FEBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000184335238 547809162 /nfs/dbraw/zinc/80/91/62/547809162.db2.gz QJTSDGVTTCUARP-LBPRGKRZSA-N 1 2 373.388 2.230 20 5 FEBDLO COc1cc(N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)ncn1 ZINC000184438729 547826817 /nfs/dbraw/zinc/82/68/17/547826817.db2.gz SCYQIMXAVUUQRZ-GQCTYLIASA-N 1 2 355.398 2.229 20 5 FEBDLO COC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(C)o1 ZINC000184681690 547864909 /nfs/dbraw/zinc/86/49/09/547864909.db2.gz DZVGMXWCEODBHJ-CQSZACIVSA-N 1 2 363.370 2.421 20 5 FEBDLO CCOCC[NH+]1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000185234893 547956690 /nfs/dbraw/zinc/95/66/90/547956690.db2.gz VTSSUYVLPFHQCK-ZDUSSCGKSA-N 1 2 353.394 2.018 20 5 FEBDLO Cc1ccc(NC(=O)C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000194363149 548470378 /nfs/dbraw/zinc/47/03/78/548470378.db2.gz NEOATZOSSQUPLO-MRXNPFEDSA-N 1 2 373.409 2.213 20 5 FEBDLO Cc1ccc(NC(=O)C[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000194363149 548470383 /nfs/dbraw/zinc/47/03/83/548470383.db2.gz NEOATZOSSQUPLO-MRXNPFEDSA-N 1 2 373.409 2.213 20 5 FEBDLO C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000216901352 548678392 /nfs/dbraw/zinc/67/83/92/548678392.db2.gz KICPALFDIVLIHQ-MCIONIFRSA-N 1 2 367.471 2.301 20 5 FEBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487921309 561378938 /nfs/dbraw/zinc/37/89/38/561378938.db2.gz QXVIUBKRGDXJFO-AWEZNQCLSA-N 1 2 371.441 2.180 20 5 FEBDLO COc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000246177296 549070115 /nfs/dbraw/zinc/07/01/15/549070115.db2.gz SUOAOQISXHDLGP-XJKSGUPXSA-N 1 2 356.444 2.391 20 5 FEBDLO COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000246177296 549070118 /nfs/dbraw/zinc/07/01/18/549070118.db2.gz SUOAOQISXHDLGP-XJKSGUPXSA-N 1 2 356.444 2.391 20 5 FEBDLO Cc1ccc(NCCCNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000488565570 561392099 /nfs/dbraw/zinc/39/20/99/561392099.db2.gz MSLGHOBJHDBLKG-CQSZACIVSA-N 1 2 372.429 2.216 20 5 FEBDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CCO1 ZINC000488929715 561399846 /nfs/dbraw/zinc/39/98/46/561399846.db2.gz HMBGSBTZUNVGDR-AWEZNQCLSA-N 1 2 350.419 2.444 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CCO1 ZINC000488929715 561399847 /nfs/dbraw/zinc/39/98/47/561399847.db2.gz HMBGSBTZUNVGDR-AWEZNQCLSA-N 1 2 350.419 2.444 20 5 FEBDLO C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1n1cc[nH+]c1 ZINC000247596130 549364745 /nfs/dbraw/zinc/36/47/45/549364745.db2.gz MUXIAFZMLALDSK-GHMZBOCLSA-N 1 2 356.429 2.125 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000248461936 549444815 /nfs/dbraw/zinc/44/48/15/549444815.db2.gz PKDQUVIUTWQKSF-VQIMIIECSA-N 1 2 358.394 2.408 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000248461936 549444816 /nfs/dbraw/zinc/44/48/16/549444816.db2.gz PKDQUVIUTWQKSF-VQIMIIECSA-N 1 2 358.394 2.408 20 5 FEBDLO COC[C@@H]1C[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC000251504554 549646125 /nfs/dbraw/zinc/64/61/25/549646125.db2.gz BUOCXLBPCFVVGC-HUBLWGQQSA-N 1 2 362.386 2.442 20 5 FEBDLO COC[C@@H]1C[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC000251504554 549646130 /nfs/dbraw/zinc/64/61/30/549646130.db2.gz BUOCXLBPCFVVGC-HUBLWGQQSA-N 1 2 362.386 2.442 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000251892403 549657074 /nfs/dbraw/zinc/65/70/74/549657074.db2.gz QJNKOGHJSVIJEF-MQIPJXDCSA-N 1 2 351.403 2.287 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000251892403 549657077 /nfs/dbraw/zinc/65/70/77/549657077.db2.gz QJNKOGHJSVIJEF-MQIPJXDCSA-N 1 2 351.403 2.287 20 5 FEBDLO CCCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000489963682 561423545 /nfs/dbraw/zinc/42/35/45/561423545.db2.gz FSCOHEQSQLAFKZ-AWEZNQCLSA-N 1 2 356.444 2.393 20 5 FEBDLO CCCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000489963682 561423546 /nfs/dbraw/zinc/42/35/46/561423546.db2.gz FSCOHEQSQLAFKZ-AWEZNQCLSA-N 1 2 356.444 2.393 20 5 FEBDLO O=C(CN1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000255375444 549704842 /nfs/dbraw/zinc/70/48/42/549704842.db2.gz GLJUYXRZDFCTLP-YVMONPNESA-N 1 2 372.469 2.238 20 5 FEBDLO O=C(CN1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000255375444 549704843 /nfs/dbraw/zinc/70/48/43/549704843.db2.gz GLJUYXRZDFCTLP-YVMONPNESA-N 1 2 372.469 2.238 20 5 FEBDLO CC(C)OCC[NH+]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000270853345 550314278 /nfs/dbraw/zinc/31/42/78/550314278.db2.gz YJEDZYUVRGJHTL-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H]1c1ccncc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271024316 550332607 /nfs/dbraw/zinc/33/26/07/550332607.db2.gz OQLYEWVSTAOJOW-CQSZACIVSA-N 1 2 370.365 2.494 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H]1c1ccncc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271024316 550332608 /nfs/dbraw/zinc/33/26/08/550332608.db2.gz OQLYEWVSTAOJOW-CQSZACIVSA-N 1 2 370.365 2.494 20 5 FEBDLO CCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](CC)C(=O)OCC ZINC000276885082 550607150 /nfs/dbraw/zinc/60/71/50/550607150.db2.gz XYKMJNQXYCGPSA-AWEZNQCLSA-N 1 2 351.403 2.247 20 5 FEBDLO CCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](CC)C(=O)OCC ZINC000276885082 550607152 /nfs/dbraw/zinc/60/71/52/550607152.db2.gz XYKMJNQXYCGPSA-AWEZNQCLSA-N 1 2 351.403 2.247 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000277149690 550637282 /nfs/dbraw/zinc/63/72/82/550637282.db2.gz PVYIWVDXMUURLR-UHFFFAOYSA-N 1 2 371.393 2.267 20 5 FEBDLO Cc1nc(C[NH+]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)oc1C ZINC000277370803 550662116 /nfs/dbraw/zinc/66/21/16/550662116.db2.gz BWDKVHAZSNGPAC-UHFFFAOYSA-N 1 2 356.386 2.398 20 5 FEBDLO CCOc1cc(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000277843296 550720685 /nfs/dbraw/zinc/72/06/85/550720685.db2.gz SHEBUFVHTDNLKD-CQSZACIVSA-N 1 2 356.444 2.393 20 5 FEBDLO CCOc1cc(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000277843296 550720687 /nfs/dbraw/zinc/72/06/87/550720687.db2.gz SHEBUFVHTDNLKD-CQSZACIVSA-N 1 2 356.444 2.393 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000278661217 550809003 /nfs/dbraw/zinc/80/90/03/550809003.db2.gz AAXWGZIJSBEMPC-CABCVRRESA-N 1 2 364.446 2.326 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279737123 550923378 /nfs/dbraw/zinc/92/33/78/550923378.db2.gz RCLKBHHWNUJMGV-NSHDSACASA-N 1 2 373.812 2.109 20 5 FEBDLO Cc1cc(OCC(=O)N2CC[NH+](Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000280473242 550997769 /nfs/dbraw/zinc/99/77/69/550997769.db2.gz GQGZNINADBDQDO-UHFFFAOYSA-N 1 2 370.409 2.021 20 5 FEBDLO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280488112 550999594 /nfs/dbraw/zinc/99/95/94/550999594.db2.gz AUWGTKYKFVVERD-SJORKVTESA-N 1 2 371.441 2.209 20 5 FEBDLO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280488112 550999595 /nfs/dbraw/zinc/99/95/95/550999595.db2.gz AUWGTKYKFVVERD-SJORKVTESA-N 1 2 371.441 2.209 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000280593422 551011240 /nfs/dbraw/zinc/01/12/40/551011240.db2.gz XPSZRPNCSXDVPZ-GFCCVEGCSA-N 1 2 351.359 2.273 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000280593422 551011241 /nfs/dbraw/zinc/01/12/41/551011241.db2.gz XPSZRPNCSXDVPZ-GFCCVEGCSA-N 1 2 351.359 2.273 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOc3ccc(Br)cc3C2)c1 ZINC000282739836 551265427 /nfs/dbraw/zinc/26/54/27/551265427.db2.gz JCCJAPOAQFPOAY-UHFFFAOYSA-N 1 2 367.203 2.448 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCOc3ccc(Br)cc3C2)c1 ZINC000282739836 551265428 /nfs/dbraw/zinc/26/54/28/551265428.db2.gz JCCJAPOAQFPOAY-UHFFFAOYSA-N 1 2 367.203 2.448 20 5 FEBDLO CC(C)[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000283096562 551310884 /nfs/dbraw/zinc/31/08/84/551310884.db2.gz UIUXGGIVNRTIGG-CQSZACIVSA-N 1 2 355.358 2.026 20 5 FEBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](CCCCCF)CC2)c1 ZINC000284050615 551474966 /nfs/dbraw/zinc/47/49/66/551474966.db2.gz JNXXZYRNLMBYDK-UHFFFAOYSA-N 1 2 359.423 2.041 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H](C)O1 ZINC000285223848 551723093 /nfs/dbraw/zinc/72/30/93/551723093.db2.gz VBUUMHOYLOBTBT-TXEJJXNPSA-N 1 2 359.386 2.179 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H](C)O1 ZINC000285223848 551723095 /nfs/dbraw/zinc/72/30/95/551723095.db2.gz VBUUMHOYLOBTBT-TXEJJXNPSA-N 1 2 359.386 2.179 20 5 FEBDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000285328082 551739077 /nfs/dbraw/zinc/73/90/77/551739077.db2.gz XHHBKIBHHLOWHK-UHFFFAOYSA-N 1 2 356.382 2.099 20 5 FEBDLO Cc1nnc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1C1CC1 ZINC000285478568 551762614 /nfs/dbraw/zinc/76/26/14/551762614.db2.gz SGKDNLWLFXABSY-UHFFFAOYSA-N 1 2 353.342 2.268 20 5 FEBDLO COc1cc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)c([N+](=O)[O-])cc1F ZINC000285897624 551824818 /nfs/dbraw/zinc/82/48/18/551824818.db2.gz JPMXTMSZSRVTBZ-KGLIPLIRSA-N 1 2 366.393 2.119 20 5 FEBDLO COc1cc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)c([N+](=O)[O-])cc1F ZINC000285897624 551824820 /nfs/dbraw/zinc/82/48/20/551824820.db2.gz JPMXTMSZSRVTBZ-KGLIPLIRSA-N 1 2 366.393 2.119 20 5 FEBDLO O=C(C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000286435536 551884870 /nfs/dbraw/zinc/88/48/70/551884870.db2.gz JBGYCYJIYJDUED-MNOVXSKESA-N 1 2 361.320 2.026 20 5 FEBDLO O=C(C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000286435536 551884872 /nfs/dbraw/zinc/88/48/72/551884872.db2.gz JBGYCYJIYJDUED-MNOVXSKESA-N 1 2 361.320 2.026 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000286632257 551908569 /nfs/dbraw/zinc/90/85/69/551908569.db2.gz CXCQCZCGBZCIMF-NWDGAFQWSA-N 1 2 353.806 2.183 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCn3c(cc4ccccc43)C2)c1 ZINC000287280048 551984488 /nfs/dbraw/zinc/98/44/88/551984488.db2.gz JPWYEQUTMBABFC-QGZVFWFLSA-N 1 2 355.398 2.013 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCn3c(cc4ccccc43)C2)c1 ZINC000287280048 551984490 /nfs/dbraw/zinc/98/44/90/551984490.db2.gz JPWYEQUTMBABFC-QGZVFWFLSA-N 1 2 355.398 2.013 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287436426 552003688 /nfs/dbraw/zinc/00/36/88/552003688.db2.gz QWDJROVHDYSHIO-GDBMZVCRSA-N 1 2 361.442 2.455 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000287495975 552011756 /nfs/dbraw/zinc/01/17/56/552011756.db2.gz UJEUCTKZDWHCMX-PBHICJAKSA-N 1 2 361.442 2.194 20 5 FEBDLO CCC(CC)[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000499360677 561549582 /nfs/dbraw/zinc/54/95/82/561549582.db2.gz ICFXRXMSUFZJEM-KRWDZBQOSA-N 1 2 365.430 2.167 20 5 FEBDLO NC(=O)C1CCN(c2[nH+]cccc2CNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000288093785 552089563 /nfs/dbraw/zinc/08/95/63/552089563.db2.gz WNFBOIWHYCVGFE-UHFFFAOYSA-N 1 2 373.388 2.443 20 5 FEBDLO COc1ccc(S(=O)(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)cc1[N+](=O)[O-] ZINC000288907276 552234663 /nfs/dbraw/zinc/23/46/63/552234663.db2.gz KFPYVVYYLUWRHZ-ZDUSSCGKSA-N 1 2 354.388 2.002 20 5 FEBDLO CC(C)OCc1nc([C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000289773445 552376438 /nfs/dbraw/zinc/37/64/38/552376438.db2.gz GQPXLBGGZNYFMG-RISCZKNCSA-N 1 2 350.375 2.287 20 5 FEBDLO COC(=O)N1CCN(c2ccc(Nc3ncc([N+](=O)[O-])s3)c[nH+]2)CC1 ZINC000292809683 552760362 /nfs/dbraw/zinc/76/03/62/552760362.db2.gz NYOGBVVNJDYISH-UHFFFAOYSA-N 1 2 364.387 2.078 20 5 FEBDLO COc1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc(OC)c1O ZINC000296028720 553092554 /nfs/dbraw/zinc/09/25/54/553092554.db2.gz NZHIOHFFALVFGV-UHFFFAOYSA-N 1 2 374.397 2.035 20 5 FEBDLO CCN(C)C(=O)[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000296311573 553138642 /nfs/dbraw/zinc/13/86/42/553138642.db2.gz ODHXBSDTWLTYLE-HNNXBMFYSA-N 1 2 361.402 2.237 20 5 FEBDLO Cc1cc(Cl)c(C(=O)NCC2([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000296666361 553195714 /nfs/dbraw/zinc/19/57/14/553195714.db2.gz KKMIXXHGEFRHSR-UHFFFAOYSA-N 1 2 353.806 2.151 20 5 FEBDLO Cc1cc(F)c(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000296784786 553211015 /nfs/dbraw/zinc/21/10/15/553211015.db2.gz PTKNAXGKUSKTAQ-IUODEOHRSA-N 1 2 366.393 2.369 20 5 FEBDLO COc1cc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)c([N+](=O)[O-])cc1OC ZINC000503070244 561633770 /nfs/dbraw/zinc/63/37/70/561633770.db2.gz CGGKPCDTTFOBQJ-ZDUSSCGKSA-N 1 2 372.443 2.011 20 5 FEBDLO COc1cc(C[N@H+]2CCC[C@H](S(C)(=O)=O)CC2)c([N+](=O)[O-])cc1OC ZINC000503070244 561633771 /nfs/dbraw/zinc/63/37/71/561633771.db2.gz CGGKPCDTTFOBQJ-ZDUSSCGKSA-N 1 2 372.443 2.011 20 5 FEBDLO CCc1oc(C(=O)OC)cc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298057129 553378174 /nfs/dbraw/zinc/37/81/74/553378174.db2.gz JOSAXIFGUNNNIJ-UHFFFAOYSA-N 1 2 374.397 2.254 20 5 FEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000298136954 553389057 /nfs/dbraw/zinc/38/90/57/553389057.db2.gz QNCOMQUQNLYWEN-UHFFFAOYSA-N 1 2 374.372 2.318 20 5 FEBDLO Cn1cc[nH+]c1CN1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000301205775 553630533 /nfs/dbraw/zinc/63/05/33/553630533.db2.gz OWFMBNTUZGICAL-UHFFFAOYSA-N 1 2 352.398 2.199 20 5 FEBDLO O=[N+]([O-])c1ccc(NCCNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)cc1 ZINC000301221626 553632300 /nfs/dbraw/zinc/63/23/00/553632300.db2.gz ANZRUZRCJZQUGB-AWEZNQCLSA-N 1 2 372.429 2.118 20 5 FEBDLO O=[N+]([O-])c1ccc(NCCNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)cc1 ZINC000301221626 553632302 /nfs/dbraw/zinc/63/23/02/553632302.db2.gz ANZRUZRCJZQUGB-AWEZNQCLSA-N 1 2 372.429 2.118 20 5 FEBDLO CNC(=O)c1ccc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000301281083 553638706 /nfs/dbraw/zinc/63/87/06/553638706.db2.gz KADKJBHQOBQCPS-CQSZACIVSA-N 1 2 369.425 2.233 20 5 FEBDLO O=[N+]([O-])c1cnn(CCNc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000301743516 553676411 /nfs/dbraw/zinc/67/64/11/553676411.db2.gz ZHAOEYHIJPDOTC-UHFFFAOYSA-N 1 2 350.342 2.032 20 5 FEBDLO Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000301757693 553677651 /nfs/dbraw/zinc/67/76/51/553677651.db2.gz AUTKWJUMUOQGHX-ZDUSSCGKSA-N 1 2 373.369 2.390 20 5 FEBDLO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000505522086 561673028 /nfs/dbraw/zinc/67/30/28/561673028.db2.gz BFXDELMUQBQTCJ-KRWDZBQOSA-N 1 2 351.366 2.258 20 5 FEBDLO CC(C)c1n[nH]c(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000331436138 554264666 /nfs/dbraw/zinc/26/46/66/554264666.db2.gz WQAHCXPRXGTPBN-LBPRGKRZSA-N 1 2 360.418 2.270 20 5 FEBDLO CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000331436138 554264667 /nfs/dbraw/zinc/26/46/67/554264667.db2.gz WQAHCXPRXGTPBN-LBPRGKRZSA-N 1 2 360.418 2.270 20 5 FEBDLO O=C1[C@H]([N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000331702577 554311178 /nfs/dbraw/zinc/31/11/78/554311178.db2.gz WSYXHLGPWJMZJM-HIFRSBDPSA-N 1 2 373.331 2.089 20 5 FEBDLO O=C1[C@H]([N@H+]2CCC[C@@](O)(C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000331702577 554311180 /nfs/dbraw/zinc/31/11/80/554311180.db2.gz WSYXHLGPWJMZJM-HIFRSBDPSA-N 1 2 373.331 2.089 20 5 FEBDLO Cc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)[NH+]2CCOCC2)c1 ZINC000509505761 561802833 /nfs/dbraw/zinc/80/28/33/561802833.db2.gz OXQADRYPUBSQNE-QGZVFWFLSA-N 1 2 372.425 2.045 20 5 FEBDLO CCN1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1c1[nH]cc[nH+]1 ZINC000510798844 561847008 /nfs/dbraw/zinc/84/70/08/561847008.db2.gz UDFMTQGLMFZQJK-OAHLLOKOSA-N 1 2 351.357 2.475 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000360991367 554899280 /nfs/dbraw/zinc/89/92/80/554899280.db2.gz VEKZDUWRUUKEKN-MRXNPFEDSA-N 1 2 366.381 2.491 20 5 FEBDLO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(n2cc[nH+]c2)CC1 ZINC000363203312 555053049 /nfs/dbraw/zinc/05/30/49/555053049.db2.gz IFYYWOCATWFCNJ-UHFFFAOYSA-N 1 2 366.381 2.454 20 5 FEBDLO Cc1nn(Cc2ccc(C(=O)Nc3cc[nH+]cc3O)cc2)c(C)c1[N+](=O)[O-] ZINC000511988803 561888183 /nfs/dbraw/zinc/88/81/83/561888183.db2.gz FGANOCFWSGPOKZ-UHFFFAOYSA-N 1 2 367.365 2.231 20 5 FEBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+](C)[C@@H]2COC[C@H]2O)cc1OC ZINC000512220510 561896394 /nfs/dbraw/zinc/89/63/94/561896394.db2.gz SDFLJGKDYAUKDM-DAXOMENPSA-N 1 2 368.430 2.220 20 5 FEBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)[C@@H]2COC[C@H]2O)cc1OC ZINC000512220510 561896395 /nfs/dbraw/zinc/89/63/95/561896395.db2.gz SDFLJGKDYAUKDM-DAXOMENPSA-N 1 2 368.430 2.220 20 5 FEBDLO O=C(CC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000364144073 555257849 /nfs/dbraw/zinc/25/78/49/555257849.db2.gz UWSZCXVUWOSCID-QGZVFWFLSA-N 1 2 366.381 2.421 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000364544953 555334003 /nfs/dbraw/zinc/33/40/03/555334003.db2.gz VZWZGJHTRIJVKP-UHFFFAOYSA-N 1 2 364.427 2.257 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000364636241 555359262 /nfs/dbraw/zinc/35/92/62/555359262.db2.gz VTJCSMPOOYPGAR-WMZOPIPTSA-N 1 2 358.394 2.408 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000364636241 555359263 /nfs/dbraw/zinc/35/92/63/555359263.db2.gz VTJCSMPOOYPGAR-WMZOPIPTSA-N 1 2 358.394 2.408 20 5 FEBDLO O=[N+]([O-])c1ccn(C2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)n1 ZINC000365964208 555712763 /nfs/dbraw/zinc/71/27/63/555712763.db2.gz QEHBWRDFJYTMIH-UHFFFAOYSA-N 1 2 357.418 2.413 20 5 FEBDLO O=[N+]([O-])c1ccn(C2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)n1 ZINC000365964208 555712767 /nfs/dbraw/zinc/71/27/67/555712767.db2.gz QEHBWRDFJYTMIH-UHFFFAOYSA-N 1 2 357.418 2.413 20 5 FEBDLO Cc1cc(N2CCC(NC(=O)CCc3cccc([N+](=O)[O-])c3)CC2)nc[nH+]1 ZINC000365971147 555714297 /nfs/dbraw/zinc/71/42/97/555714297.db2.gz XFWVRYDNLYOKCV-UHFFFAOYSA-N 1 2 369.425 2.411 20 5 FEBDLO CN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000366760265 555926813 /nfs/dbraw/zinc/92/68/13/555926813.db2.gz WVAAIYBKBUEBDP-UHFFFAOYSA-N 1 2 357.414 2.203 20 5 FEBDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)CC2 ZINC000367553255 556081132 /nfs/dbraw/zinc/08/11/32/556081132.db2.gz MOCZLKRFPMUTEB-UHFFFAOYSA-N 1 2 374.781 2.097 20 5 FEBDLO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000367644655 556104104 /nfs/dbraw/zinc/10/41/04/556104104.db2.gz UIYCCCDDZCZQPF-JKSUJKDBSA-N 1 2 371.393 2.185 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)Nc1ccc(F)cc1F ZINC000369002464 556473473 /nfs/dbraw/zinc/47/34/73/556473473.db2.gz QBKCAIPAHVWUIJ-GFCCVEGCSA-N 1 2 365.340 2.345 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)Nc1ccc(F)cc1F ZINC000369002464 556473474 /nfs/dbraw/zinc/47/34/74/556473474.db2.gz QBKCAIPAHVWUIJ-GFCCVEGCSA-N 1 2 365.340 2.345 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000371055032 557059887 /nfs/dbraw/zinc/05/98/87/557059887.db2.gz QBZVCVJLVUPWIR-CYBMUJFWSA-N 1 2 364.427 2.123 20 5 FEBDLO O=C(C[NH+]1CCC2(CCOC2=O)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000371156963 557092253 /nfs/dbraw/zinc/09/22/53/557092253.db2.gz MGNFJTIPMNUCMH-UHFFFAOYSA-N 1 2 367.789 2.216 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ncc[nH]1 ZINC000371443753 557189172 /nfs/dbraw/zinc/18/91/72/557189172.db2.gz SUICAQWJBSGVDQ-AWEZNQCLSA-N 1 2 352.354 2.481 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)CCC2 ZINC000372224125 557414546 /nfs/dbraw/zinc/41/45/46/557414546.db2.gz OZUWJDNUQIAGSX-CYBMUJFWSA-N 1 2 371.397 2.040 20 5 FEBDLO COc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000372284336 557429492 /nfs/dbraw/zinc/42/94/92/557429492.db2.gz YYOSHZDMFICTGB-CQSZACIVSA-N 1 2 359.386 2.076 20 5 FEBDLO COc1cccc(NC(=O)C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000372284336 557429494 /nfs/dbraw/zinc/42/94/94/557429494.db2.gz YYOSHZDMFICTGB-CQSZACIVSA-N 1 2 359.386 2.076 20 5 FEBDLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000372297917 557432922 /nfs/dbraw/zinc/43/29/22/557432922.db2.gz LJGFYXWWNMCAIR-INIZCTEOSA-N 1 2 356.338 2.420 20 5 FEBDLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000372297917 557432924 /nfs/dbraw/zinc/43/29/24/557432924.db2.gz LJGFYXWWNMCAIR-INIZCTEOSA-N 1 2 356.338 2.420 20 5 FEBDLO COc1ccc(OCC[N@@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)c([N+](=O)[O-])c1 ZINC000372612062 557521327 /nfs/dbraw/zinc/52/13/27/557521327.db2.gz MCVVZKFGKYVULC-GDBMZVCRSA-N 1 2 364.398 2.052 20 5 FEBDLO COc1ccc(OCC[N@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)c([N+](=O)[O-])c1 ZINC000372612062 557521328 /nfs/dbraw/zinc/52/13/28/557521328.db2.gz MCVVZKFGKYVULC-GDBMZVCRSA-N 1 2 364.398 2.052 20 5 FEBDLO COc1ccc(OCC[N@@H+]2CCc3ccccc3[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000372627968 557524558 /nfs/dbraw/zinc/52/45/58/557524558.db2.gz RSASJRXVYNUQPX-GOSISDBHSA-N 1 2 371.393 2.067 20 5 FEBDLO COc1ccc(OCC[N@H+]2CCc3ccccc3[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000372627968 557524560 /nfs/dbraw/zinc/52/45/60/557524560.db2.gz RSASJRXVYNUQPX-GOSISDBHSA-N 1 2 371.393 2.067 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000372671692 557533929 /nfs/dbraw/zinc/53/39/29/557533929.db2.gz AJTDRGOZXZNRIK-KRWDZBQOSA-N 1 2 370.409 2.279 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000372671692 557533931 /nfs/dbraw/zinc/53/39/31/557533931.db2.gz AJTDRGOZXZNRIK-KRWDZBQOSA-N 1 2 370.409 2.279 20 5 FEBDLO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373583676 557722663 /nfs/dbraw/zinc/72/26/63/557722663.db2.gz JSNFEEUHUFDZNA-DZGCQCFKSA-N 1 2 368.401 2.165 20 5 FEBDLO C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373583676 557722664 /nfs/dbraw/zinc/72/26/64/557722664.db2.gz JSNFEEUHUFDZNA-DZGCQCFKSA-N 1 2 368.401 2.165 20 5 FEBDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000373706741 557742561 /nfs/dbraw/zinc/74/25/61/557742561.db2.gz AOESCVWMCAZWFA-UHFFFAOYSA-N 1 2 368.397 2.313 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000374334045 557867536 /nfs/dbraw/zinc/86/75/36/557867536.db2.gz SZBFIPFCKCNYOB-CYBMUJFWSA-N 1 2 366.381 2.144 20 5 FEBDLO COc1cc(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)cc([N+](=O)[O-])c1C ZINC000374353691 557870286 /nfs/dbraw/zinc/87/02/86/557870286.db2.gz VODNIAJUVMXCPP-HNNXBMFYSA-N 1 2 356.382 2.094 20 5 FEBDLO CCc1[nH]nc(C(=O)N2CC[NH2+][C@@H](c3ccc(CC)cc3)C2)c1[N+](=O)[O-] ZINC000374361215 557871632 /nfs/dbraw/zinc/87/16/32/557871632.db2.gz VYVGNRCBUYINJD-OAHLLOKOSA-N 1 2 357.414 2.229 20 5 FEBDLO COc1cc(OC)cc([C@]2(F)CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000374630658 557909138 /nfs/dbraw/zinc/90/91/38/557909138.db2.gz ZCOWTDJGKZZFLI-KRWDZBQOSA-N 1 2 364.377 2.379 20 5 FEBDLO COc1cc(OC)cc([C@]2(F)CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000374630658 557909140 /nfs/dbraw/zinc/90/91/40/557909140.db2.gz ZCOWTDJGKZZFLI-KRWDZBQOSA-N 1 2 364.377 2.379 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](O)c3ccccc3C2)c([N+](=O)[O-])c1 ZINC000374815824 557935510 /nfs/dbraw/zinc/93/55/10/557935510.db2.gz DVEXOIIHPFQCHW-GOSISDBHSA-N 1 2 371.393 2.481 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](O)c3ccccc3C2)c([N+](=O)[O-])c1 ZINC000374815824 557935512 /nfs/dbraw/zinc/93/55/12/557935512.db2.gz DVEXOIIHPFQCHW-GOSISDBHSA-N 1 2 371.393 2.481 20 5 FEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000375499151 558038355 /nfs/dbraw/zinc/03/83/55/558038355.db2.gz VAOHRYQGQONJAN-MJVIPROJSA-N 1 2 368.231 2.443 20 5 FEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000375499151 558038356 /nfs/dbraw/zinc/03/83/56/558038356.db2.gz VAOHRYQGQONJAN-MJVIPROJSA-N 1 2 368.231 2.443 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@]2(C1)CCCOC2 ZINC000375591776 558053810 /nfs/dbraw/zinc/05/38/10/558053810.db2.gz OCHSOSRPEHKQLB-SFHVURJKSA-N 1 2 356.382 2.423 20 5 FEBDLO COC(=O)c1cc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)cc(C)c1[N+](=O)[O-] ZINC000375658119 558063238 /nfs/dbraw/zinc/06/32/38/558063238.db2.gz PBWMHHHOFUYXAG-MRXNPFEDSA-N 1 2 374.397 2.363 20 5 FEBDLO O=C([C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCCC1 ZINC000375712116 558071332 /nfs/dbraw/zinc/07/13/32/558071332.db2.gz QOUFLKYMGSDTFQ-OAHLLOKOSA-N 1 2 362.386 2.480 20 5 FEBDLO O=C([C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCCC1 ZINC000375712116 558071333 /nfs/dbraw/zinc/07/13/33/558071333.db2.gz QOUFLKYMGSDTFQ-OAHLLOKOSA-N 1 2 362.386 2.480 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c([N+](=O)[O-])c1 ZINC000375762391 558078778 /nfs/dbraw/zinc/07/87/78/558078778.db2.gz VIIALVCRLPIMER-CYBMUJFWSA-N 1 2 373.413 2.155 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3ccnn3C)C2)c([N+](=O)[O-])c1 ZINC000375762391 558078779 /nfs/dbraw/zinc/07/87/79/558078779.db2.gz VIIALVCRLPIMER-CYBMUJFWSA-N 1 2 373.413 2.155 20 5 FEBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000376075851 558123398 /nfs/dbraw/zinc/12/33/98/558123398.db2.gz ZQWXZSPLDUCCAU-QGZVFWFLSA-N 1 2 365.455 2.417 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNc1nc3ccc([N+](=O)[O-])cc3c(=O)[nH]1)CCC2 ZINC000376395290 558167593 /nfs/dbraw/zinc/16/75/93/558167593.db2.gz KLFQBKAFZAJHQC-NSHDSACASA-N 1 2 354.370 2.738 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000376982943 558247967 /nfs/dbraw/zinc/24/79/67/558247967.db2.gz OXHQVZWNSKENND-UHFFFAOYSA-N 1 2 356.382 2.351 20 5 FEBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000377283327 558305964 /nfs/dbraw/zinc/30/59/64/558305964.db2.gz OUQUQJXFQOVKJP-UHFFFAOYSA-N 1 2 372.410 2.405 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)CCC2 ZINC000378249028 558511274 /nfs/dbraw/zinc/51/12/74/558511274.db2.gz WSLGGGDRKZOQKI-CYBMUJFWSA-N 1 2 357.414 2.473 20 5 FEBDLO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000378268939 558515705 /nfs/dbraw/zinc/51/57/05/558515705.db2.gz XHJQJNQZWWNPJX-NSHDSACASA-N 1 2 359.342 2.175 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000408182373 558654070 /nfs/dbraw/zinc/65/40/70/558654070.db2.gz JOWINQPPVBICEK-KGLIPLIRSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000408182373 558654072 /nfs/dbraw/zinc/65/40/72/558654072.db2.gz JOWINQPPVBICEK-KGLIPLIRSA-N 1 2 353.444 2.151 20 5 FEBDLO O=C(NCCCO[C@H]1CCCCO1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000412306372 559026377 /nfs/dbraw/zinc/02/63/77/559026377.db2.gz KOGPJJUKTXEWQX-KRWDZBQOSA-N 1 2 374.397 2.444 20 5 FEBDLO CC(C)OCCOC[C@H](O)CN(C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413077019 559075711 /nfs/dbraw/zinc/07/57/11/559075711.db2.gz BGULTZAPRCNJMQ-MRXNPFEDSA-N 1 2 363.414 2.382 20 5 FEBDLO O=[N+]([O-])c1cnc(N2CCN(Cc3[nH]cc[nH+]3)CC2)c(C(F)(F)F)c1 ZINC000413146185 559082808 /nfs/dbraw/zinc/08/28/08/559082808.db2.gz WPBOWHQVAFZOJR-UHFFFAOYSA-N 1 2 356.308 2.054 20 5 FEBDLO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000414499025 559168962 /nfs/dbraw/zinc/16/89/62/559168962.db2.gz XQOYEJORLBTUNQ-JTQLQIEISA-N 1 2 351.384 2.454 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H](O)CC12CCC2 ZINC000422015471 559560626 /nfs/dbraw/zinc/56/06/26/559560626.db2.gz FLBLAKMUZDHKCV-CQSZACIVSA-N 1 2 356.382 2.300 20 5 FEBDLO Cc1cccn2cc(CC(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)[nH+]c12 ZINC000527303741 562284716 /nfs/dbraw/zinc/28/47/16/562284716.db2.gz OSOUJYFXDPEEDA-UHFFFAOYSA-N 1 2 366.377 2.383 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(O)(C(F)F)CC1 ZINC000428648449 559780428 /nfs/dbraw/zinc/78/04/28/559780428.db2.gz LNDOWJPZKDWASL-UHFFFAOYSA-N 1 2 366.324 2.013 20 5 FEBDLO CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1c1[nH]cc[nH+]1 ZINC000433466172 559882342 /nfs/dbraw/zinc/88/23/42/559882342.db2.gz LLRVPVUJMFUQFB-AWEZNQCLSA-N 1 2 363.805 2.490 20 5 FEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000434751188 559908472 /nfs/dbraw/zinc/90/84/72/559908472.db2.gz CHFOMRXKKFBZMS-GFCCVEGCSA-N 1 2 373.862 2.248 20 5 FEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000434751188 559908473 /nfs/dbraw/zinc/90/84/73/559908473.db2.gz CHFOMRXKKFBZMS-GFCCVEGCSA-N 1 2 373.862 2.248 20 5 FEBDLO COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[NH+](C)C ZINC000436873033 559955020 /nfs/dbraw/zinc/95/50/20/559955020.db2.gz VDEYYJJFNVVZBU-OAHLLOKOSA-N 1 2 359.382 2.342 20 5 FEBDLO COc1cc[nH+]cc1NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437066889 559960089 /nfs/dbraw/zinc/96/00/89/559960089.db2.gz ADSMEUGTQIURFN-UHFFFAOYSA-N 1 2 370.365 2.128 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000439871488 560001177 /nfs/dbraw/zinc/00/11/77/560001177.db2.gz PDAVXFKAJIZYIX-STQMWFEESA-N 1 2 366.418 2.224 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000439933049 560002058 /nfs/dbraw/zinc/00/20/58/560002058.db2.gz PGMGMPYOGZRJMG-AWEZNQCLSA-N 1 2 366.418 2.226 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000439933049 560002059 /nfs/dbraw/zinc/00/20/59/560002059.db2.gz PGMGMPYOGZRJMG-AWEZNQCLSA-N 1 2 366.418 2.226 20 5 FEBDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000442828629 560058630 /nfs/dbraw/zinc/05/86/30/560058630.db2.gz RYTSZJFCSDEYQE-GOSISDBHSA-N 1 2 363.414 2.131 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@@H](O)Cc2ccccc21 ZINC000447707129 560167727 /nfs/dbraw/zinc/16/77/27/560167727.db2.gz BZMXVLHRZGCYRN-HNNXBMFYSA-N 1 2 364.361 2.344 20 5 FEBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000447798871 560169223 /nfs/dbraw/zinc/16/92/23/560169223.db2.gz BTBBKGAFFGAOJA-GFCCVEGCSA-N 1 2 369.805 2.310 20 5 FEBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000447798871 560169224 /nfs/dbraw/zinc/16/92/24/560169224.db2.gz BTBBKGAFFGAOJA-GFCCVEGCSA-N 1 2 369.805 2.310 20 5 FEBDLO CCNC(=O)C(C)(C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447819352 560170035 /nfs/dbraw/zinc/17/00/35/560170035.db2.gz ZKVOAWQTRMGNKA-UHFFFAOYSA-N 1 2 364.446 2.001 20 5 FEBDLO COc1ccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])nc1 ZINC000447817942 560170094 /nfs/dbraw/zinc/17/00/94/560170094.db2.gz UHODDHPJLQONTJ-UHFFFAOYSA-N 1 2 358.398 2.443 20 5 FEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449649901 560235443 /nfs/dbraw/zinc/23/54/43/560235443.db2.gz JZQABOJJUNJSMI-QWRGUYRKSA-N 1 2 359.398 2.436 20 5 FEBDLO COc1cc(-c2noc(C[NH2+][C@H](C)c3ccccc3[N+](=O)[O-])n2)ncn1 ZINC000450688430 560270106 /nfs/dbraw/zinc/27/01/06/560270106.db2.gz QCXFVEGAPAGQCT-SNVBAGLBSA-N 1 2 356.342 2.294 20 5 FEBDLO CCc1cc(NC[C@H]2CCOC[C@@H]2OC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450693128 560270234 /nfs/dbraw/zinc/27/02/34/560270234.db2.gz LYSHZKWGISUTQZ-PBHICJAKSA-N 1 2 372.425 2.500 20 5 FEBDLO O=C(NC[C@@H]1CC12CCOCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450825826 560274898 /nfs/dbraw/zinc/27/48/98/560274898.db2.gz FNKULKQHKIITHB-AWEZNQCLSA-N 1 2 356.382 2.327 20 5 FEBDLO C[C@@H](Cc1cnn(C)c1)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000450847578 560275569 /nfs/dbraw/zinc/27/55/69/560275569.db2.gz VSSLCLXZZUMYLH-AWEZNQCLSA-N 1 2 359.430 2.204 20 5 FEBDLO CN(C)c1ncccc1O[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000451028519 560283328 /nfs/dbraw/zinc/28/33/28/560283328.db2.gz PELNPVSTNFQZIG-HNNXBMFYSA-N 1 2 358.398 2.415 20 5 FEBDLO CN(C)c1ncccc1O[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000451028519 560283329 /nfs/dbraw/zinc/28/33/29/560283329.db2.gz PELNPVSTNFQZIG-HNNXBMFYSA-N 1 2 358.398 2.415 20 5 FEBDLO CCO[C@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1C ZINC000451535627 560312944 /nfs/dbraw/zinc/31/29/44/560312944.db2.gz YTVNIIHEZGMWMH-FZMZJTMJSA-N 1 2 365.386 2.009 20 5 FEBDLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1C ZINC000451535627 560312945 /nfs/dbraw/zinc/31/29/45/560312945.db2.gz YTVNIIHEZGMWMH-FZMZJTMJSA-N 1 2 365.386 2.009 20 5 FEBDLO CCO[C@H]1CC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451551093 560314086 /nfs/dbraw/zinc/31/40/86/560314086.db2.gz XOVARQIWSFYPSO-LRDDRELGSA-N 1 2 351.403 2.289 20 5 FEBDLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451551093 560314087 /nfs/dbraw/zinc/31/40/87/560314087.db2.gz XOVARQIWSFYPSO-LRDDRELGSA-N 1 2 351.403 2.289 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000451693158 560322383 /nfs/dbraw/zinc/32/23/83/560322383.db2.gz XCDJAHWSIUJFMB-CQSZACIVSA-N 1 2 364.427 2.409 20 5 FEBDLO CCc1oc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1C(=O)OC ZINC000453577466 560389462 /nfs/dbraw/zinc/38/94/62/560389462.db2.gz OPTOJRHIRBHVLX-UHFFFAOYSA-N 1 2 374.397 2.254 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000453986183 560419630 /nfs/dbraw/zinc/41/96/30/560419630.db2.gz VTVPJXJGXYVCAW-CMPLNLGQSA-N 1 2 357.370 2.169 20 5 FEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000455472615 560483633 /nfs/dbraw/zinc/48/36/33/560483633.db2.gz MGNNTLFFILIZKD-LBPRGKRZSA-N 1 2 359.386 2.476 20 5 FEBDLO Cc1cc(NCCC[N@@H+]2CCNC(=O)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461960598 560789813 /nfs/dbraw/zinc/78/98/13/560789813.db2.gz VWHWFWJIATWIQE-UHFFFAOYSA-N 1 2 360.336 2.156 20 5 FEBDLO Cc1cc(NCCC[N@H+]2CCNC(=O)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461960598 560789815 /nfs/dbraw/zinc/78/98/15/560789815.db2.gz VWHWFWJIATWIQE-UHFFFAOYSA-N 1 2 360.336 2.156 20 5 FEBDLO Cc1sc(S(=O)(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000467060669 560902685 /nfs/dbraw/zinc/90/26/85/560902685.db2.gz ZCRMCGQKXDAISB-GWCFXTLKSA-N 1 2 370.456 2.433 20 5 FEBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1C[NH+]1CCOCC1 ZINC000468123197 560922887 /nfs/dbraw/zinc/92/28/87/560922887.db2.gz BEBNFEGDKVMSGP-UHFFFAOYSA-N 1 2 369.421 2.400 20 5 FEBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000469740467 560963467 /nfs/dbraw/zinc/96/34/67/560963467.db2.gz YPQJYKXGKKUJCN-UHFFFAOYSA-N 1 2 351.366 2.688 20 5 FEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000470458954 560982827 /nfs/dbraw/zinc/98/28/27/560982827.db2.gz MKXKLJWKGFLGJD-SJLPKXTDSA-N 1 2 363.458 2.391 20 5 FEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000470458954 560982828 /nfs/dbraw/zinc/98/28/28/560982828.db2.gz MKXKLJWKGFLGJD-SJLPKXTDSA-N 1 2 363.458 2.391 20 5 FEBDLO COc1cc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])ccn1 ZINC000472365656 561025180 /nfs/dbraw/zinc/02/51/80/561025180.db2.gz CGVKAVOHZJSYMV-UHFFFAOYSA-N 1 2 358.398 2.443 20 5 FEBDLO O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000530289329 562405625 /nfs/dbraw/zinc/40/56/25/562405625.db2.gz LCYXTORFCCICSH-GOSISDBHSA-N 1 2 359.426 2.123 20 5 FEBDLO O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000530289329 562405626 /nfs/dbraw/zinc/40/56/26/562405626.db2.gz LCYXTORFCCICSH-GOSISDBHSA-N 1 2 359.426 2.123 20 5 FEBDLO Cn1ncc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1C(F)(F)F ZINC000532312715 562473566 /nfs/dbraw/zinc/47/35/66/562473566.db2.gz UDSMSHKOZSUWPA-UHFFFAOYSA-N 1 2 370.335 2.064 20 5 FEBDLO Cc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[NH+]2CCOCC2)c1 ZINC000532388331 562476168 /nfs/dbraw/zinc/47/61/68/562476168.db2.gz PBDUQVZKOZOAJA-SFHVURJKSA-N 1 2 370.409 2.102 20 5 FEBDLO Cc1cc(C)cc(NC(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000533221089 562502106 /nfs/dbraw/zinc/50/21/06/562502106.db2.gz YGDWTGJANLBKNR-UHFFFAOYSA-N 1 2 369.425 2.367 20 5 FEBDLO Cc1nc(C(C)(C)[NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)no1 ZINC000533512913 562511216 /nfs/dbraw/zinc/51/12/16/562511216.db2.gz UKNICJAXKBYPGR-UHFFFAOYSA-N 1 2 361.358 2.109 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000534531728 562536318 /nfs/dbraw/zinc/53/63/18/562536318.db2.gz XUOQCHKHVYCZFO-HNNXBMFYSA-N 1 2 361.423 2.368 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000534531728 562536319 /nfs/dbraw/zinc/53/63/19/562536319.db2.gz XUOQCHKHVYCZFO-HNNXBMFYSA-N 1 2 361.423 2.368 20 5 FEBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CC(C)(C(N)=O)C2)cc1OC ZINC000569114184 568280234 /nfs/dbraw/zinc/28/02/34/568280234.db2.gz DMEYNTYGKNSVJJ-LBPRGKRZSA-N 1 2 365.430 2.336 20 5 FEBDLO O=[N+]([O-])c1ccc(NCCCCNc2cccc[nH+]2)c(-c2nn[nH]n2)c1 ZINC000738370020 598374999 /nfs/dbraw/zinc/37/49/99/598374999.db2.gz MOEXCCVSZYQOAG-UHFFFAOYSA-N 1 2 354.374 2.474 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC(F)(F)c2ccc(Cl)cc2)c1 ZINC000571875231 670935335 /nfs/dbraw/zinc/93/53/35/670935335.db2.gz ZGFOCERAFVNNQA-CYBMUJFWSA-N 1 2 360.748 2.187 20 5 FEBDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000122510968 671967799 /nfs/dbraw/zinc/96/77/99/671967799.db2.gz DQJOFEGQGVJNCH-OLZOCXBDSA-N 1 2 353.423 2.374 20 5 FEBDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000122510968 671967802 /nfs/dbraw/zinc/96/78/02/671967802.db2.gz DQJOFEGQGVJNCH-OLZOCXBDSA-N 1 2 353.423 2.374 20 5 FEBDLO CC(C)(C)OC(=O)NCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000141207363 672148589 /nfs/dbraw/zinc/14/85/89/672148589.db2.gz VKGUWAAUOQCADH-UHFFFAOYSA-N 1 2 350.419 2.242 20 5 FEBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000587061523 672440347 /nfs/dbraw/zinc/44/03/47/672440347.db2.gz FYYMIJDNTYRJHI-NSHDSACASA-N 1 2 365.187 2.299 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000611281075 676029645 /nfs/dbraw/zinc/02/96/45/676029645.db2.gz IHJPBWQFVHSMDF-JTQLQIEISA-N 1 2 356.429 2.098 20 5 FEBDLO CSc1cccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000597993279 673527691 /nfs/dbraw/zinc/52/76/91/673527691.db2.gz FOTZONYEDXVVNA-RYUDHWBXSA-N 1 2 353.444 2.156 20 5 FEBDLO CSc1cccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000597993279 673527702 /nfs/dbraw/zinc/52/77/02/673527702.db2.gz FOTZONYEDXVVNA-RYUDHWBXSA-N 1 2 353.444 2.156 20 5 FEBDLO C[N@@H+]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000540208330 673528395 /nfs/dbraw/zinc/52/83/95/673528395.db2.gz UNUFJTLQHYOSBO-UHFFFAOYSA-N 1 2 368.242 2.228 20 5 FEBDLO C[N@H+]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000540208330 673528398 /nfs/dbraw/zinc/52/83/98/673528398.db2.gz UNUFJTLQHYOSBO-UHFFFAOYSA-N 1 2 368.242 2.228 20 5 FEBDLO COC(=O)c1ccnc(N2CC[NH+](Cc3ccsc3)CC2)c1[N+](=O)[O-] ZINC000598586159 673586903 /nfs/dbraw/zinc/58/69/03/673586903.db2.gz PEANFJOYIPXBDN-UHFFFAOYSA-N 1 2 362.411 2.160 20 5 FEBDLO COc1cc(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c([N+](=O)[O-])cc1F ZINC000545931124 673783298 /nfs/dbraw/zinc/78/32/98/673783298.db2.gz UPOBFLLQBGTRTD-ZDUSSCGKSA-N 1 2 351.378 2.329 20 5 FEBDLO COc1cc(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)c([N+](=O)[O-])cc1F ZINC000545931124 673783301 /nfs/dbraw/zinc/78/33/01/673783301.db2.gz UPOBFLLQBGTRTD-ZDUSSCGKSA-N 1 2 351.378 2.329 20 5 FEBDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000603278414 673921360 /nfs/dbraw/zinc/92/13/60/673921360.db2.gz IEOGLGPHIBHJPA-UHFFFAOYSA-N 1 2 361.423 2.061 20 5 FEBDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000603278414 673921362 /nfs/dbraw/zinc/92/13/62/673921362.db2.gz IEOGLGPHIBHJPA-UHFFFAOYSA-N 1 2 361.423 2.061 20 5 FEBDLO CCN1CC[NH+](CC(C)(C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000839433237 680752781 /nfs/dbraw/zinc/75/27/81/680752781.db2.gz GIFLHNVOMZFASK-UHFFFAOYSA-N 1 2 368.865 2.394 20 5 FEBDLO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1F ZINC000764297179 680806090 /nfs/dbraw/zinc/80/60/90/680806090.db2.gz DNUQSLDQPWGYKY-JKSUJKDBSA-N 1 2 351.378 2.107 20 5 FEBDLO CN(C)c1cc(COC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)cc[nH+]1 ZINC000767598582 680918019 /nfs/dbraw/zinc/91/80/19/680918019.db2.gz OVKCCTVZUHZKMB-UHFFFAOYSA-N 1 2 359.367 2.418 20 5 FEBDLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ccc([N+](=O)[O-])cc1Br ZINC000842045709 680923318 /nfs/dbraw/zinc/92/33/18/680923318.db2.gz HAPVKNNNARRVGZ-GHMZBOCLSA-N 1 2 358.236 2.249 20 5 FEBDLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1ccc([N+](=O)[O-])cc1Br ZINC000842045709 680923319 /nfs/dbraw/zinc/92/33/19/680923319.db2.gz HAPVKNNNARRVGZ-GHMZBOCLSA-N 1 2 358.236 2.249 20 5 FEBDLO CC(=O)NC1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769192037 680973772 /nfs/dbraw/zinc/97/37/72/680973772.db2.gz GXHJDPYFRHXFOJ-UHFFFAOYSA-N 1 2 356.220 2.458 20 5 FEBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000843760974 681016823 /nfs/dbraw/zinc/01/68/23/681016823.db2.gz WTUUNMMENZQIMJ-OAHLLOKOSA-N 1 2 353.394 2.129 20 5 FEBDLO CNC(=O)CC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774637793 681214333 /nfs/dbraw/zinc/21/43/33/681214333.db2.gz PIILPEPPJFRAEY-UHFFFAOYSA-N 1 2 365.821 2.404 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913462488 685477866 /nfs/dbraw/zinc/47/78/66/685477866.db2.gz ITEUYUBAGPUYFB-ZDUSSCGKSA-N 1 2 363.805 2.077 20 5 FEBDLO Cc1nnc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)s1 ZINC000852746539 682335580 /nfs/dbraw/zinc/33/55/80/682335580.db2.gz NSKFRDATALIXSO-UHFFFAOYSA-N 1 2 353.379 2.354 20 5 FEBDLO Cc1nnc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)s1 ZINC000852746539 682335584 /nfs/dbraw/zinc/33/55/84/682335584.db2.gz NSKFRDATALIXSO-UHFFFAOYSA-N 1 2 353.379 2.354 20 5 FEBDLO Cc1nn(C)c(Cl)c1C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000788005182 682496393 /nfs/dbraw/zinc/49/63/93/682496393.db2.gz AUMPBTDWXRVAPW-ZDUSSCGKSA-N 1 2 368.821 2.162 20 5 FEBDLO Cc1nn(C)c(Cl)c1C[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000788005182 682496397 /nfs/dbraw/zinc/49/63/97/682496397.db2.gz AUMPBTDWXRVAPW-ZDUSSCGKSA-N 1 2 368.821 2.162 20 5 FEBDLO Cn1c[nH+]cc1CCOC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000793253333 682875583 /nfs/dbraw/zinc/87/55/83/682875583.db2.gz OYDLZNBVEPTIPE-UHFFFAOYSA-N 1 2 354.160 2.490 20 5 FEBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857944962 682926434 /nfs/dbraw/zinc/92/64/34/682926434.db2.gz RTZIQICPMBPXCD-SNVBAGLBSA-N 1 2 352.753 2.258 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000929213163 683563559 /nfs/dbraw/zinc/56/35/59/683563559.db2.gz YMSJKKNUBCEXRP-NSHDSACASA-N 1 2 356.810 2.433 20 5 FEBDLO CC(C)(CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000929340396 683581837 /nfs/dbraw/zinc/58/18/37/683581837.db2.gz QCGZCZLUNKCHEB-UHFFFAOYSA-N 1 2 369.849 2.408 20 5 FEBDLO C[C@]1(CO)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C[C@@]1(C)CO ZINC000931255157 684249511 /nfs/dbraw/zinc/24/95/11/684249511.db2.gz KURJZPHUWCYPMS-GASCZTMLSA-N 1 2 373.247 2.170 20 5 FEBDLO C[C@]1(CO)C[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C[C@@]1(C)CO ZINC000931255157 684249515 /nfs/dbraw/zinc/24/95/15/684249515.db2.gz KURJZPHUWCYPMS-GASCZTMLSA-N 1 2 373.247 2.170 20 5 FEBDLO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(Br)c([N+](=O)[O-])s3)C[C@@H]2C1 ZINC000895577251 689739160 /nfs/dbraw/zinc/73/91/60/689739160.db2.gz XEYAMTSEVHIJMO-AOOOYVTPSA-N 1 2 374.260 2.329 20 5 FEBDLO CC(=O)N1C[C@@H]2C[N@H+](Cc3cc(Br)c([N+](=O)[O-])s3)C[C@@H]2C1 ZINC000895577251 689739162 /nfs/dbraw/zinc/73/91/62/689739162.db2.gz XEYAMTSEVHIJMO-AOOOYVTPSA-N 1 2 374.260 2.329 20 5 FEBDLO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000900868720 690577209 /nfs/dbraw/zinc/57/72/09/690577209.db2.gz ZPZRTIWYSZHWOI-GFCCVEGCSA-N 1 2 371.796 2.324 20 5 FEBDLO CS(=O)(=O)c1cccc([C@@H]([NH2+]CC[N+](=O)[O-])c2ccc(F)cc2)c1 ZINC000905139454 691072553 /nfs/dbraw/zinc/07/25/53/691072553.db2.gz SQRAWXHHTQJHCA-INIZCTEOSA-N 1 2 352.387 2.185 20 5 FEBDLO COc1cccc(C[N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000023707383 539719032 /nfs/dbraw/zinc/71/90/32/539719032.db2.gz MEXVFWPUQKPYCV-UHFFFAOYSA-N 1 2 373.365 2.403 20 5 FEBDLO COc1cccc(C[N@@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000023707383 539719035 /nfs/dbraw/zinc/71/90/35/539719035.db2.gz MEXVFWPUQKPYCV-UHFFFAOYSA-N 1 2 373.365 2.403 20 5 FEBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000026717181 539791828 /nfs/dbraw/zinc/79/18/28/539791828.db2.gz VSRFFKGXJYMGNB-UHFFFAOYSA-N 1 2 359.342 2.347 20 5 FEBDLO C[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1[N+](=O)[O-] ZINC000026346339 539784908 /nfs/dbraw/zinc/78/49/08/539784908.db2.gz LSGJVPUPFTUGJZ-UHFFFAOYSA-N 1 2 357.366 2.437 20 5 FEBDLO C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1[N+](=O)[O-] ZINC000026346339 539784913 /nfs/dbraw/zinc/78/49/13/539784913.db2.gz LSGJVPUPFTUGJZ-UHFFFAOYSA-N 1 2 357.366 2.437 20 5 FEBDLO Cc1cc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000030312814 539878862 /nfs/dbraw/zinc/87/88/62/539878862.db2.gz UWOFCVFCCNLBCI-UHFFFAOYSA-N 1 2 356.382 2.065 20 5 FEBDLO O=C(NCc1cn2ccccc2[nH+]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031226020 539901288 /nfs/dbraw/zinc/90/12/88/539901288.db2.gz MPMVENQIBDFMML-UHFFFAOYSA-N 1 2 362.349 2.358 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000031791175 539919420 /nfs/dbraw/zinc/91/94/20/539919420.db2.gz KPFZHGWJOIRYSN-UHFFFAOYSA-N 1 2 358.427 2.260 20 5 FEBDLO O=C(CCN1CC[NH+](Cc2ccco2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000041896099 540038809 /nfs/dbraw/zinc/03/88/09/540038809.db2.gz UWNHIWUKOWRMNG-UHFFFAOYSA-N 1 2 358.398 2.334 20 5 FEBDLO CC(C)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000044761519 540140031 /nfs/dbraw/zinc/14/00/31/540140031.db2.gz HASZCQYPXFKUTM-UHFFFAOYSA-N 1 2 361.851 2.211 20 5 FEBDLO O=[N+]([O-])c1ccc(-n2cc(C[NH+]3CCN(c4ccccc4)CC3)nn2)cc1 ZINC000045391665 540211816 /nfs/dbraw/zinc/21/18/16/540211816.db2.gz JYIDRIYYIATMLZ-UHFFFAOYSA-N 1 2 364.409 2.498 20 5 FEBDLO O=C(NC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1)C1CC1 ZINC000052698369 540483765 /nfs/dbraw/zinc/48/37/65/540483765.db2.gz NTLMHQKCVKAKOJ-UHFFFAOYSA-N 1 2 371.397 2.135 20 5 FEBDLO CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000052868583 540496472 /nfs/dbraw/zinc/49/64/72/540496472.db2.gz IVMULGGFACUSJW-QWHCGFSZSA-N 1 2 364.402 2.132 20 5 FEBDLO CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000052868583 540496474 /nfs/dbraw/zinc/49/64/74/540496474.db2.gz IVMULGGFACUSJW-QWHCGFSZSA-N 1 2 364.402 2.132 20 5 FEBDLO C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000056360199 540721262 /nfs/dbraw/zinc/72/12/62/540721262.db2.gz FKYBQUHFFKXOHZ-CYBMUJFWSA-N 1 2 350.419 2.066 20 5 FEBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCn1cc[nH+]c1 ZINC000064721613 541215788 /nfs/dbraw/zinc/21/57/88/541215788.db2.gz KTQRTEMLXBANIB-LLVKDONJSA-N 1 2 352.778 2.419 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000065791415 541261999 /nfs/dbraw/zinc/26/19/99/541261999.db2.gz FPTTVXYHAQMBAI-UHFFFAOYSA-N 1 2 364.427 2.097 20 5 FEBDLO Cc1noc([C@@H]2CCC[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)n1 ZINC000067377775 541451855 /nfs/dbraw/zinc/45/18/55/541451855.db2.gz DZQQNANRAZLJPU-CZUORRHYSA-N 1 2 371.397 2.271 20 5 FEBDLO Cc1noc([C@@H]2CCC[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)n1 ZINC000067377775 541451859 /nfs/dbraw/zinc/45/18/59/541451859.db2.gz DZQQNANRAZLJPU-CZUORRHYSA-N 1 2 371.397 2.271 20 5 FEBDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000067653382 541495269 /nfs/dbraw/zinc/49/52/69/541495269.db2.gz AXTAGEKOCHRBRY-INIZCTEOSA-N 1 2 363.414 2.294 20 5 FEBDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000067653382 541495270 /nfs/dbraw/zinc/49/52/70/541495270.db2.gz AXTAGEKOCHRBRY-INIZCTEOSA-N 1 2 363.414 2.294 20 5 FEBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1[nH+]ccn1C ZINC000068377297 541584577 /nfs/dbraw/zinc/58/45/77/541584577.db2.gz JKVGGAITZYIEKW-SNVBAGLBSA-N 1 2 352.778 2.408 20 5 FEBDLO CC[C@@H](C)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OC ZINC000070669064 541734892 /nfs/dbraw/zinc/73/48/92/541734892.db2.gz XCTWUZZYUNDPLR-ABAIWWIYSA-N 1 2 360.370 2.098 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000072611391 541837317 /nfs/dbraw/zinc/83/73/17/541837317.db2.gz YKRLZFZSWWNABS-OCCSQVGLSA-N 1 2 361.320 2.229 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000072611391 541837321 /nfs/dbraw/zinc/83/73/21/541837321.db2.gz YKRLZFZSWWNABS-OCCSQVGLSA-N 1 2 361.320 2.229 20 5 FEBDLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000076396397 542272658 /nfs/dbraw/zinc/27/26/58/542272658.db2.gz ZMTQGDBOCRILHG-OCCSQVGLSA-N 1 2 358.423 2.305 20 5 FEBDLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000076396397 542272661 /nfs/dbraw/zinc/27/26/61/542272661.db2.gz ZMTQGDBOCRILHG-OCCSQVGLSA-N 1 2 358.423 2.305 20 5 FEBDLO Cc1cc(N2CCN(C(=O)C3CC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000077409530 542379705 /nfs/dbraw/zinc/37/97/05/542379705.db2.gz BUFXVYJUEWRYTJ-UHFFFAOYSA-N 1 2 367.409 2.419 20 5 FEBDLO CC(C)Cn1cc[nH+]c1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000078336800 542456585 /nfs/dbraw/zinc/45/65/85/542456585.db2.gz KSNOTDXRJRVSOX-UHFFFAOYSA-N 1 2 352.416 2.463 20 5 FEBDLO CCOc1cc(N2CC[NH+](CC(=O)N[C@H](C)CC)CC2)ccc1[N+](=O)[O-] ZINC000080769540 542607686 /nfs/dbraw/zinc/60/76/86/542607686.db2.gz CQQOOWVEIKRFSU-CQSZACIVSA-N 1 2 364.446 2.030 20 5 FEBDLO COc1ccc(OC)c(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000015170472 132876995 /nfs/dbraw/zinc/87/69/95/132876995.db2.gz MIPCULVYZKEZCF-UHFFFAOYSA-N 1 2 358.398 2.329 20 5 FEBDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccc2C1 ZINC000103497955 543112209 /nfs/dbraw/zinc/11/22/09/543112209.db2.gz SRVJSSGGJPTEMD-UHFFFAOYSA-N 1 2 365.386 2.375 20 5 FEBDLO C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccc2C1 ZINC000103497955 543112211 /nfs/dbraw/zinc/11/22/11/543112211.db2.gz SRVJSSGGJPTEMD-UHFFFAOYSA-N 1 2 365.386 2.375 20 5 FEBDLO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(CC(F)(F)C(F)F)CC2)cc1 ZINC000114491478 543521692 /nfs/dbraw/zinc/52/16/92/543521692.db2.gz VQQPNKBTXUQJAZ-UHFFFAOYSA-N 1 2 365.327 2.492 20 5 FEBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858770 543541515 /nfs/dbraw/zinc/54/15/15/543541515.db2.gz JMDJNGWTLKIYMX-DOMZBBRYSA-N 1 2 365.455 2.055 20 5 FEBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114858770 543541519 /nfs/dbraw/zinc/54/15/19/543541519.db2.gz JMDJNGWTLKIYMX-DOMZBBRYSA-N 1 2 365.455 2.055 20 5 FEBDLO Cn1c[nH+]cc1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121418516 543694278 /nfs/dbraw/zinc/69/42/78/543694278.db2.gz PSYBXFGIVZORJN-UHFFFAOYSA-N 1 2 353.176 2.063 20 5 FEBDLO C[C@@H]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000126417267 543934663 /nfs/dbraw/zinc/93/46/63/543934663.db2.gz GQZKQMOLHLNWAD-CZUORRHYSA-N 1 2 372.381 2.092 20 5 FEBDLO Cc1c(CC(=O)N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)cccc1[N+](=O)[O-] ZINC000125638154 543893309 /nfs/dbraw/zinc/89/33/09/543893309.db2.gz QUUCOMPYGPAGTA-GFCCVEGCSA-N 1 2 362.455 2.081 20 5 FEBDLO CCC1(CO)CC[NH+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000128114748 544033357 /nfs/dbraw/zinc/03/33/57/544033357.db2.gz HGFIQRRKERYXHB-UHFFFAOYSA-N 1 2 351.403 2.026 20 5 FEBDLO Cc1c(NC(=O)C(=O)NCCCCNc2cccc[nH+]2)cccc1[N+](=O)[O-] ZINC000129658730 544122203 /nfs/dbraw/zinc/12/22/03/544122203.db2.gz VTMFPGMDWPWIFY-UHFFFAOYSA-N 1 2 371.397 2.245 20 5 FEBDLO Cc1c(F)cc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000133264924 544262291 /nfs/dbraw/zinc/26/22/91/544262291.db2.gz QECMHVOOUGMXKF-UHFFFAOYSA-N 1 2 371.434 2.291 20 5 FEBDLO Cc1cc(NC[C@@H]2CCS(=O)(=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000140921490 544410716 /nfs/dbraw/zinc/41/07/16/544410716.db2.gz ZZXPQZQYXLBVIE-LBPRGKRZSA-N 1 2 362.411 2.207 20 5 FEBDLO O=[N+]([O-])c1cc(-c2ccccc2)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000154075916 544860606 /nfs/dbraw/zinc/86/06/06/544860606.db2.gz TZBKTTTZOYOEMF-QGZVFWFLSA-N 1 2 358.394 2.334 20 5 FEBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000188425490 328086057 /nfs/dbraw/zinc/08/60/57/328086057.db2.gz NCLGDHHJPSSGPS-UHFFFAOYSA-N 1 2 358.373 2.274 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCC([C@H]3CCCO3)CC2)cc1 ZINC000189111692 328129007 /nfs/dbraw/zinc/12/90/07/328129007.db2.gz XORXHRAOTYADCN-QGZVFWFLSA-N 1 2 368.455 2.260 20 5 FEBDLO Cc1ccc(OC[C@H](O)C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000189462638 328149707 /nfs/dbraw/zinc/14/97/07/328149707.db2.gz GHQNTJMGBPXADE-MRXNPFEDSA-N 1 2 358.394 2.406 20 5 FEBDLO CCO[C@@H]1C[C@@]([NH2+]CCc2ccc([N+](=O)[O-])cc2)(C(=O)OC)C1(C)C ZINC000189837962 328170688 /nfs/dbraw/zinc/17/06/88/328170688.db2.gz FSVDIZXTKHTKTN-CRAIPNDOSA-N 1 2 350.415 2.474 20 5 FEBDLO COC(=O)[C@H](C)N(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCC1 ZINC000190408211 328206006 /nfs/dbraw/zinc/20/60/06/328206006.db2.gz ZJJHMTFJECOVRO-LBPRGKRZSA-N 1 2 372.381 2.337 20 5 FEBDLO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1cccnc1 ZINC000191112057 328250364 /nfs/dbraw/zinc/25/03/64/328250364.db2.gz SKTSIPFXGHJLEE-UHFFFAOYSA-N 1 2 358.398 2.385 20 5 FEBDLO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1cccnc1 ZINC000191112057 328250365 /nfs/dbraw/zinc/25/03/65/328250365.db2.gz SKTSIPFXGHJLEE-UHFFFAOYSA-N 1 2 358.398 2.385 20 5 FEBDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192635668 328330016 /nfs/dbraw/zinc/33/00/16/328330016.db2.gz XGSJJCAPSRMYNR-HIFRSBDPSA-N 1 2 362.430 2.431 20 5 FEBDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192635668 328330018 /nfs/dbraw/zinc/33/00/18/328330018.db2.gz XGSJJCAPSRMYNR-HIFRSBDPSA-N 1 2 362.430 2.431 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000193121187 328358776 /nfs/dbraw/zinc/35/87/76/328358776.db2.gz LFZJWIRMMYSZJJ-UHFFFAOYSA-N 1 2 356.382 2.065 20 5 FEBDLO COc1cc(C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000193400278 328373166 /nfs/dbraw/zinc/37/31/66/328373166.db2.gz FCBLOMUFCVRMGR-OKILXGFUSA-N 1 2 367.446 2.153 20 5 FEBDLO COc1cc(C[N@@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000193400278 328373167 /nfs/dbraw/zinc/37/31/67/328373167.db2.gz FCBLOMUFCVRMGR-OKILXGFUSA-N 1 2 367.446 2.153 20 5 FEBDLO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCn1cc[nH+]c1 ZINC000053254030 324735274 /nfs/dbraw/zinc/73/52/74/324735274.db2.gz YDJJBANWCJYMNE-UHFFFAOYSA-N 1 2 371.319 2.429 20 5 FEBDLO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000080943461 325149282 /nfs/dbraw/zinc/14/92/82/325149282.db2.gz JRMHYMMNDDSXEY-CQSZACIVSA-N 1 2 358.398 2.013 20 5 FEBDLO Cc1sc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000110956096 325697522 /nfs/dbraw/zinc/69/75/22/325697522.db2.gz NFRZANFUWANBAT-ZDUSSCGKSA-N 1 2 353.444 2.292 20 5 FEBDLO CCCc1n[nH]c(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000119409361 326159068 /nfs/dbraw/zinc/15/90/68/326159068.db2.gz JEGKZZFHKRSXTM-LBPRGKRZSA-N 1 2 360.418 2.099 20 5 FEBDLO CCCc1[nH]nc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000119409361 326159072 /nfs/dbraw/zinc/15/90/72/326159072.db2.gz JEGKZZFHKRSXTM-LBPRGKRZSA-N 1 2 360.418 2.099 20 5 FEBDLO Cc1noc(C)c1CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000119488112 326168020 /nfs/dbraw/zinc/16/80/20/326168020.db2.gz MKYPNIQRUUJDMB-UHFFFAOYSA-N 1 2 358.398 2.200 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCc2cn3ccccc3[nH+]2)c1C ZINC000119485922 326168267 /nfs/dbraw/zinc/16/82/67/326168267.db2.gz MYGXFSSUKWITKK-UHFFFAOYSA-N 1 2 374.422 2.380 20 5 FEBDLO COc1cc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000121435791 326338710 /nfs/dbraw/zinc/33/87/10/326338710.db2.gz CBIIVBSZPMKQDS-CYBMUJFWSA-N 1 2 366.399 2.242 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000121778861 326366549 /nfs/dbraw/zinc/36/65/49/326366549.db2.gz RGVKOFHCNJQKEJ-UHFFFAOYSA-N 1 2 371.397 2.210 20 5 FEBDLO Cn1cc[nH+]c1C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000122128207 326384845 /nfs/dbraw/zinc/38/48/45/326384845.db2.gz WQIDIGULINSTTL-LLVKDONJSA-N 1 2 370.456 2.033 20 5 FEBDLO Cc1nn(CCC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1[N+](=O)[O-] ZINC000126120288 326483474 /nfs/dbraw/zinc/48/34/74/326483474.db2.gz KWZQLTHQCJSIOJ-SWLSCSKDSA-N 1 2 360.418 2.104 20 5 FEBDLO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000136007975 326649150 /nfs/dbraw/zinc/64/91/50/326649150.db2.gz VDTGOEKOMVLAEH-GFCCVEGCSA-N 1 2 352.354 2.383 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000151161705 326676332 /nfs/dbraw/zinc/67/63/32/326676332.db2.gz LVPGXBKTUDTIAM-CQSZACIVSA-N 1 2 363.395 2.140 20 5 FEBDLO Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc[nH+]1 ZINC000153778630 326742438 /nfs/dbraw/zinc/74/24/38/326742438.db2.gz FGRFLHJOPOUGLY-NSHDSACASA-N 1 2 358.329 2.429 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000163175099 327045049 /nfs/dbraw/zinc/04/50/49/327045049.db2.gz XAGGSZZLJVMYSL-UHFFFAOYSA-N 1 2 371.397 2.457 20 5 FEBDLO C[C@@H]([NH2+][C@@H](C)c1nnc2ccccn21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000172613373 327211853 /nfs/dbraw/zinc/21/18/53/327211853.db2.gz XJVVWULGMQXEJA-NWDGAFQWSA-N 1 2 354.370 2.315 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000172744900 327216458 /nfs/dbraw/zinc/21/64/58/327216458.db2.gz AVWAVEJQVNBNMA-UHFFFAOYSA-N 1 2 356.382 2.065 20 5 FEBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172765901 327217977 /nfs/dbraw/zinc/21/79/77/327217977.db2.gz FVCAOOFLMCMSAO-UKRRQHHQSA-N 1 2 365.455 2.009 20 5 FEBDLO Cc1ccn(C)c(=O)c1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000176098454 327434161 /nfs/dbraw/zinc/43/41/61/327434161.db2.gz MJWIEPXIRKFNGQ-UHFFFAOYSA-N 1 2 353.338 2.040 20 5 FEBDLO COC(=O)c1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])o1 ZINC000265152162 329096641 /nfs/dbraw/zinc/09/66/41/329096641.db2.gz LEIJGSIZGPYHFZ-UHFFFAOYSA-N 1 2 350.327 2.281 20 5 FEBDLO CC[C@@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCS1 ZINC000266635741 329244228 /nfs/dbraw/zinc/24/42/28/329244228.db2.gz RNYKVUGPOBJFIF-SNVBAGLBSA-N 1 2 353.400 2.089 20 5 FEBDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCS1 ZINC000266635741 329244229 /nfs/dbraw/zinc/24/42/29/329244229.db2.gz RNYKVUGPOBJFIF-SNVBAGLBSA-N 1 2 353.400 2.089 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000268098042 329384962 /nfs/dbraw/zinc/38/49/62/329384962.db2.gz ZZIKJSQCAVSLGB-ZDUSSCGKSA-N 1 2 364.427 2.449 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000268242119 329400655 /nfs/dbraw/zinc/40/06/55/329400655.db2.gz NDLCFSILGNANLA-UHFFFAOYSA-N 1 2 354.363 2.025 20 5 FEBDLO COc1cc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)ccc1[N+](=O)[O-] ZINC000269308468 329506210 /nfs/dbraw/zinc/50/62/10/329506210.db2.gz GYKNOJYQACFLRG-UHFFFAOYSA-N 1 2 372.381 2.396 20 5 FEBDLO Cn1cc([C@@H](CO)[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000270277149 329587586 /nfs/dbraw/zinc/58/75/86/329587586.db2.gz YSFKOYCRJTWFAT-OAHLLOKOSA-N 1 2 359.411 2.275 20 5 FEBDLO COc1cc(C)[nH+]c(CN2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000271206623 329672773 /nfs/dbraw/zinc/67/27/73/329672773.db2.gz KHCSSKSSEWPOGP-SFHVURJKSA-N 1 2 370.365 2.274 20 5 FEBDLO CS[C@H](CO)[C@H](C)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272588065 329794497 /nfs/dbraw/zinc/79/44/97/329794497.db2.gz ZMXCNZHFUSGHRS-NILFDRSVSA-N 1 2 350.444 2.120 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000155882326 545579284 /nfs/dbraw/zinc/57/92/84/545579284.db2.gz PRYBRBLDXSTYEH-GFCCVEGCSA-N 1 2 374.363 2.492 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000155882326 545579289 /nfs/dbraw/zinc/57/92/89/545579289.db2.gz PRYBRBLDXSTYEH-GFCCVEGCSA-N 1 2 374.363 2.492 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000479379128 561188479 /nfs/dbraw/zinc/18/84/79/561188479.db2.gz ODBWVKVRQYJQLQ-UHFFFAOYSA-N 1 2 358.333 2.195 20 5 FEBDLO CN(C)c1ccc(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c[nH+]1 ZINC000479858661 561198214 /nfs/dbraw/zinc/19/82/14/561198214.db2.gz BKUDLHKIZLXOOJ-UHFFFAOYSA-N 1 2 366.381 2.172 20 5 FEBDLO O=[N+]([O-])c1ccn(CC[NH+]2CCN(Cc3ccc(Cl)s3)CC2)n1 ZINC000176195293 546418682 /nfs/dbraw/zinc/41/86/82/546418682.db2.gz SQNHYRQCNGQRHZ-UHFFFAOYSA-N 1 2 355.851 2.324 20 5 FEBDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176248666 546424579 /nfs/dbraw/zinc/42/45/79/546424579.db2.gz BXUYBTIBIJJUKE-OAHLLOKOSA-N 1 2 373.413 2.211 20 5 FEBDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176248666 546424580 /nfs/dbraw/zinc/42/45/80/546424580.db2.gz BXUYBTIBIJJUKE-OAHLLOKOSA-N 1 2 373.413 2.211 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOc2ncccc21 ZINC000177216821 546571900 /nfs/dbraw/zinc/57/19/00/546571900.db2.gz FILIVPGAVVFGNZ-UHFFFAOYSA-N 1 2 351.322 2.215 20 5 FEBDLO COC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000177427964 546614755 /nfs/dbraw/zinc/61/47/55/546614755.db2.gz ZHCXYQFMIMCWTI-MGPLVRAMSA-N 1 2 369.805 2.460 20 5 FEBDLO COC(=O)[C@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000177427964 546614759 /nfs/dbraw/zinc/61/47/59/546614759.db2.gz ZHCXYQFMIMCWTI-MGPLVRAMSA-N 1 2 369.805 2.460 20 5 FEBDLO COC(=O)[C@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000177437641 546617904 /nfs/dbraw/zinc/61/79/04/546617904.db2.gz KMVOZAKTLXRQSI-QLJPJBMISA-N 1 2 369.805 2.460 20 5 FEBDLO COC(=O)[C@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000177437641 546617909 /nfs/dbraw/zinc/61/79/09/546617909.db2.gz KMVOZAKTLXRQSI-QLJPJBMISA-N 1 2 369.805 2.460 20 5 FEBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])nn2C)C[C@H](C)O1 ZINC000481537296 561235634 /nfs/dbraw/zinc/23/56/34/561235634.db2.gz FWBPDWYVAFCMCB-STQMWFEESA-N 1 2 373.413 2.190 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000179343180 546935996 /nfs/dbraw/zinc/93/59/96/546935996.db2.gz VUCSWFFLEXBRQP-AWEZNQCLSA-N 1 2 367.369 2.266 20 5 FEBDLO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000482706536 561258855 /nfs/dbraw/zinc/25/88/55/561258855.db2.gz KUZYKDFUCQJEPN-CYBMUJFWSA-N 1 2 359.430 2.455 20 5 FEBDLO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000482706536 561258856 /nfs/dbraw/zinc/25/88/56/561258856.db2.gz KUZYKDFUCQJEPN-CYBMUJFWSA-N 1 2 359.430 2.455 20 5 FEBDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182018901 547423314 /nfs/dbraw/zinc/42/33/14/547423314.db2.gz REOZDXCBOIZHNZ-CYBMUJFWSA-N 1 2 368.865 2.281 20 5 FEBDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183604600 547688693 /nfs/dbraw/zinc/68/86/93/547688693.db2.gz TVXSWFFXAOGNNS-UHFFFAOYSA-N 1 2 371.397 2.348 20 5 FEBDLO CSc1cccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000186052178 548077655 /nfs/dbraw/zinc/07/76/55/548077655.db2.gz HRLIQQAIBNPZTL-AWEZNQCLSA-N 1 2 367.471 2.403 20 5 FEBDLO CCOc1ccc(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000194766930 548530219 /nfs/dbraw/zinc/53/02/19/548530219.db2.gz OHRKGMVQYYBQIT-OKILXGFUSA-N 1 2 365.430 2.175 20 5 FEBDLO CCOc1ccc(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000194766930 548530223 /nfs/dbraw/zinc/53/02/23/548530223.db2.gz OHRKGMVQYYBQIT-OKILXGFUSA-N 1 2 365.430 2.175 20 5 FEBDLO CCN(CC)C(=O)C[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487918825 561378826 /nfs/dbraw/zinc/37/88/26/561378826.db2.gz VFMUFNUHWUTOIA-UHFFFAOYSA-N 1 2 371.441 2.133 20 5 FEBDLO COC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000246433719 549132593 /nfs/dbraw/zinc/13/25/93/549132593.db2.gz KMVOZAKTLXRQSI-QFYYESIMSA-N 1 2 369.805 2.460 20 5 FEBDLO COC(=O)[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000246433719 549132595 /nfs/dbraw/zinc/13/25/95/549132595.db2.gz KMVOZAKTLXRQSI-QFYYESIMSA-N 1 2 369.805 2.460 20 5 FEBDLO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488747022 561396013 /nfs/dbraw/zinc/39/60/13/561396013.db2.gz NSEXCBCFGJSGEX-QJPTWQEYSA-N 1 2 373.500 2.226 20 5 FEBDLO C[C@@H]1C[C@H]1[N@H+]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488747022 561396014 /nfs/dbraw/zinc/39/60/14/561396014.db2.gz NSEXCBCFGJSGEX-QJPTWQEYSA-N 1 2 373.500 2.226 20 5 FEBDLO COc1cc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)ccc1[N+](=O)[O-] ZINC000489141060 561404270 /nfs/dbraw/zinc/40/42/70/561404270.db2.gz RMOWVLUJTIAOPP-MRXNPFEDSA-N 1 2 359.382 2.477 20 5 FEBDLO COc1cc(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)ccc1[N+](=O)[O-] ZINC000489141060 561404271 /nfs/dbraw/zinc/40/42/71/561404271.db2.gz RMOWVLUJTIAOPP-MRXNPFEDSA-N 1 2 359.382 2.477 20 5 FEBDLO CN1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000248458629 549443979 /nfs/dbraw/zinc/44/39/79/549443979.db2.gz NCJQHAJSCSQYQG-IEBWSBKVSA-N 1 2 371.437 2.323 20 5 FEBDLO CN1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000248458629 549443985 /nfs/dbraw/zinc/44/39/85/549443985.db2.gz NCJQHAJSCSQYQG-IEBWSBKVSA-N 1 2 371.437 2.323 20 5 FEBDLO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCO[C@@H]1C ZINC000489447935 561411644 /nfs/dbraw/zinc/41/16/44/561411644.db2.gz JIHKZFMNLPVKBM-IAQYHMDHSA-N 1 2 371.821 2.313 20 5 FEBDLO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCO[C@@H]1C ZINC000489447935 561411645 /nfs/dbraw/zinc/41/16/45/561411645.db2.gz JIHKZFMNLPVKBM-IAQYHMDHSA-N 1 2 371.821 2.313 20 5 FEBDLO Cc1noc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000249706359 549617352 /nfs/dbraw/zinc/61/73/52/549617352.db2.gz OCPTYGCEFOYYIL-YPMHNXCESA-N 1 2 359.386 2.493 20 5 FEBDLO Cc1noc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000249706359 549617356 /nfs/dbraw/zinc/61/73/56/549617356.db2.gz OCPTYGCEFOYYIL-YPMHNXCESA-N 1 2 359.386 2.493 20 5 FEBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000264151479 549985667 /nfs/dbraw/zinc/98/56/67/549985667.db2.gz MSIDZGVXWBOXDF-UHFFFAOYSA-N 1 2 357.292 2.208 20 5 FEBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000270293510 550259515 /nfs/dbraw/zinc/25/95/15/550259515.db2.gz MBRHCONDXFAOSJ-UHFFFAOYSA-N 1 2 358.398 2.258 20 5 FEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000270938904 550323093 /nfs/dbraw/zinc/32/30/93/550323093.db2.gz YBPZHHPWMFYTAK-ZDUSSCGKSA-N 1 2 356.382 2.214 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000273290412 550493114 /nfs/dbraw/zinc/49/31/14/550493114.db2.gz MQEKCEBPLABMLW-DZGCQCFKSA-N 1 2 365.430 2.271 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000273290412 550493115 /nfs/dbraw/zinc/49/31/15/550493115.db2.gz MQEKCEBPLABMLW-DZGCQCFKSA-N 1 2 365.430 2.271 20 5 FEBDLO CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000494686782 561474225 /nfs/dbraw/zinc/47/42/25/561474225.db2.gz SEZVTIURROBJHS-XJKSGUPXSA-N 1 2 350.419 2.066 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000494686782 561474226 /nfs/dbraw/zinc/47/42/26/561474226.db2.gz SEZVTIURROBJHS-XJKSGUPXSA-N 1 2 350.419 2.066 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)NCc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000276925806 550611842 /nfs/dbraw/zinc/61/18/42/550611842.db2.gz ZKUZUWRUXRMEOT-UHFFFAOYSA-N 1 2 364.427 2.223 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C/C=C\c2ccncc2)CC1 ZINC000494939449 561479569 /nfs/dbraw/zinc/47/95/69/561479569.db2.gz RCKSFLAKNPBSAC-UPHRSURJSA-N 1 2 352.394 2.461 20 5 FEBDLO C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000277732099 550707588 /nfs/dbraw/zinc/70/75/88/550707588.db2.gz TVUWMBOURULBLB-CANCMXDXSA-N 1 2 362.455 2.338 20 5 FEBDLO C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000277732099 550707589 /nfs/dbraw/zinc/70/75/89/550707589.db2.gz TVUWMBOURULBLB-CANCMXDXSA-N 1 2 362.455 2.338 20 5 FEBDLO CC(C)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ncon1 ZINC000278517047 550794229 /nfs/dbraw/zinc/79/42/29/550794229.db2.gz BPXLJGYHRREZHJ-AWEZNQCLSA-N 1 2 356.342 2.291 20 5 FEBDLO CN(C)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c[nH+]1 ZINC000279236097 550868053 /nfs/dbraw/zinc/86/80/53/550868053.db2.gz QWXIOYFXZOBAIY-UHFFFAOYSA-N 1 2 361.377 2.191 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279982631 550949515 /nfs/dbraw/zinc/94/95/15/550949515.db2.gz ZPAYGADGGDFEOL-UONOGXRCSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279982631 550949517 /nfs/dbraw/zinc/94/95/17/550949517.db2.gz ZPAYGADGGDFEOL-UONOGXRCSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@]2(CCOC2)O1 ZINC000280242462 550973976 /nfs/dbraw/zinc/97/39/76/550973976.db2.gz BAELDEOYBHLXFV-SJKOYZFVSA-N 1 2 360.370 2.025 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@]2(CCOC2)O1 ZINC000280242462 550973977 /nfs/dbraw/zinc/97/39/77/550973977.db2.gz BAELDEOYBHLXFV-SJKOYZFVSA-N 1 2 360.370 2.025 20 5 FEBDLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@]2(CCOC2)O1 ZINC000280505160 551001519 /nfs/dbraw/zinc/00/15/19/551001519.db2.gz NGONGFLDYMIEFM-YVEFUNNKSA-N 1 2 360.370 2.025 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@]2(CCOC2)O1 ZINC000280505160 551001520 /nfs/dbraw/zinc/00/15/20/551001520.db2.gz NGONGFLDYMIEFM-YVEFUNNKSA-N 1 2 360.370 2.025 20 5 FEBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CCO2 ZINC000280526882 551004126 /nfs/dbraw/zinc/00/41/26/551004126.db2.gz SFDMRACZCPJEKY-YVEFUNNKSA-N 1 2 360.370 2.025 20 5 FEBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CCO2 ZINC000280526882 551004128 /nfs/dbraw/zinc/00/41/28/551004128.db2.gz SFDMRACZCPJEKY-YVEFUNNKSA-N 1 2 360.370 2.025 20 5 FEBDLO C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])C1([NH+]2CCOCC2)CCCC1 ZINC000281044512 551057785 /nfs/dbraw/zinc/05/77/85/551057785.db2.gz WQXYFDDCWOULPA-ZDUSSCGKSA-N 1 2 363.414 2.064 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000497525799 561503137 /nfs/dbraw/zinc/50/31/37/561503137.db2.gz UZICZZHMBWNNDB-ZIAGYGMSSA-N 1 2 365.821 2.466 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000497525799 561503138 /nfs/dbraw/zinc/50/31/38/561503138.db2.gz UZICZZHMBWNNDB-ZIAGYGMSSA-N 1 2 365.821 2.466 20 5 FEBDLO CNC(=O)[C@@H]1CCC[C@H]1Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497536200 561503320 /nfs/dbraw/zinc/50/33/20/561503320.db2.gz XVBXJRUEBGIKRT-HUUCEWRRSA-N 1 2 355.398 2.109 20 5 FEBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000284708240 551613542 /nfs/dbraw/zinc/61/35/42/551613542.db2.gz ZLTZIXOFXLLAHH-UONOGXRCSA-N 1 2 373.331 2.159 20 5 FEBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000284708240 551613544 /nfs/dbraw/zinc/61/35/44/551613544.db2.gz ZLTZIXOFXLLAHH-UONOGXRCSA-N 1 2 373.331 2.159 20 5 FEBDLO CSC[C@@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284926839 551669418 /nfs/dbraw/zinc/66/94/18/551669418.db2.gz VZPNQVNYIJTMDH-VIFPVBQESA-N 1 2 361.261 2.439 20 5 FEBDLO CSC[C@@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284926839 551669421 /nfs/dbraw/zinc/66/94/21/551669421.db2.gz VZPNQVNYIJTMDH-VIFPVBQESA-N 1 2 361.261 2.439 20 5 FEBDLO CSc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285592117 551779849 /nfs/dbraw/zinc/77/98/49/551779849.db2.gz BHINOFJHKNVHDN-OCCSQVGLSA-N 1 2 365.455 2.252 20 5 FEBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000285860931 551820025 /nfs/dbraw/zinc/82/00/25/551820025.db2.gz PRVNSDJKDBCAOX-OYEVUCPFSA-N 1 2 359.426 2.320 20 5 FEBDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286716837 551918154 /nfs/dbraw/zinc/91/81/54/551918154.db2.gz GACAZJMQQMQSAM-CYBMUJFWSA-N 1 2 352.347 2.214 20 5 FEBDLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286716837 551918156 /nfs/dbraw/zinc/91/81/56/551918156.db2.gz GACAZJMQQMQSAM-CYBMUJFWSA-N 1 2 352.347 2.214 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000287284138 551985008 /nfs/dbraw/zinc/98/50/08/551985008.db2.gz KXJQGBKQSVGOJZ-YPMHNXCESA-N 1 2 353.806 2.183 20 5 FEBDLO COc1cc(C[N@H+](CCCO)Cc2ccccn2)c([N+](=O)[O-])cc1OC ZINC000289420807 552318427 /nfs/dbraw/zinc/31/84/27/552318427.db2.gz JCLFNKNTSCHXHX-UHFFFAOYSA-N 1 2 361.398 2.392 20 5 FEBDLO COc1cc(C[N@@H+](CCCO)Cc2ccccn2)c([N+](=O)[O-])cc1OC ZINC000289420807 552318430 /nfs/dbraw/zinc/31/84/30/552318430.db2.gz JCLFNKNTSCHXHX-UHFFFAOYSA-N 1 2 361.398 2.392 20 5 FEBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@@H](CO)C2)c1 ZINC000289689663 552362388 /nfs/dbraw/zinc/36/23/88/552362388.db2.gz DTXJEZWGASIYMI-SECBINFHSA-N 1 2 362.167 2.014 20 5 FEBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@@H](CO)C2)c1 ZINC000289689663 552362389 /nfs/dbraw/zinc/36/23/89/552362389.db2.gz DTXJEZWGASIYMI-SECBINFHSA-N 1 2 362.167 2.014 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000289963581 552406295 /nfs/dbraw/zinc/40/62/95/552406295.db2.gz WWTJPWRCQHTCDP-PBHICJAKSA-N 1 2 363.414 2.431 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000289963581 552406298 /nfs/dbraw/zinc/40/62/98/552406298.db2.gz WWTJPWRCQHTCDP-PBHICJAKSA-N 1 2 363.414 2.431 20 5 FEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000291081848 552584577 /nfs/dbraw/zinc/58/45/77/552584577.db2.gz ZOWOKPQJCBZKPM-BXUZGUMPSA-N 1 2 353.806 2.183 20 5 FEBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000292989817 552777851 /nfs/dbraw/zinc/77/78/51/552777851.db2.gz CARLXPHAQXXUHA-OALUTQOASA-N 1 2 367.405 2.011 20 5 FEBDLO CCc1noc(C)c1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293066960 552785722 /nfs/dbraw/zinc/78/57/22/552785722.db2.gz ITKHJDWNNRTFAT-UHFFFAOYSA-N 1 2 358.398 2.412 20 5 FEBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC000293158609 552794378 /nfs/dbraw/zinc/79/43/78/552794378.db2.gz OQHWAZLPHXCDQB-LJQANCHMSA-N 1 2 369.421 2.476 20 5 FEBDLO COC(=O)C1(O)CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000293819678 552859434 /nfs/dbraw/zinc/85/94/34/552859434.db2.gz OYGOAWBXLNHUBM-UHFFFAOYSA-N 1 2 362.304 2.114 20 5 FEBDLO Cc1cc(Cl)c(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000295254523 552976807 /nfs/dbraw/zinc/97/68/07/552976807.db2.gz KSXFJBFCXCHLFT-QWHCGFSZSA-N 1 2 367.833 2.492 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000295443193 553007980 /nfs/dbraw/zinc/00/79/80/553007980.db2.gz YMWJPPRQNXXBIB-AWEZNQCLSA-N 1 2 364.427 2.409 20 5 FEBDLO CCn1cc[nH+]c1CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000295786720 553058894 /nfs/dbraw/zinc/05/88/94/553058894.db2.gz QOWDYNHRJCIJRQ-UHFFFAOYSA-N 1 2 350.400 2.472 20 5 FEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000296166011 553115398 /nfs/dbraw/zinc/11/53/98/553115398.db2.gz YMUUZMVVJRRINI-UHFFFAOYSA-N 1 2 356.382 2.083 20 5 FEBDLO CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(N(C)C)[nH+]c2)cc1OC ZINC000298304436 553410112 /nfs/dbraw/zinc/41/01/12/553410112.db2.gz PRPBPNITXLAEIS-UHFFFAOYSA-N 1 2 374.397 2.393 20 5 FEBDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000298461557 553427621 /nfs/dbraw/zinc/42/76/21/553427621.db2.gz ZMUNXPVXODIRGO-UHFFFAOYSA-N 1 2 358.398 2.466 20 5 FEBDLO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000503696137 561647092 /nfs/dbraw/zinc/64/70/92/561647092.db2.gz BFXRPNXAJGMUJX-UHFFFAOYSA-N 1 2 371.393 2.063 20 5 FEBDLO Cc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000299409975 553559490 /nfs/dbraw/zinc/55/94/90/553559490.db2.gz VVAIRSCVGLCOQC-LRDDRELGSA-N 1 2 371.397 2.148 20 5 FEBDLO Cc1cc(N2C[C@H](C(N)=O)CC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301110520 553622885 /nfs/dbraw/zinc/62/28/85/553622885.db2.gz MXZGYLHVSSVNFR-TZMCWYRMSA-N 1 2 355.398 2.450 20 5 FEBDLO COC(=O)c1cc(N2CCN(c3cccc[nH+]3)CC2)cc(C)c1[N+](=O)[O-] ZINC000301554239 553659998 /nfs/dbraw/zinc/65/99/98/553659998.db2.gz IBSZVYWLWUPFFE-UHFFFAOYSA-N 1 2 356.382 2.411 20 5 FEBDLO COc1cc(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c([N+](=O)[O-])cc1F ZINC000301633364 553667282 /nfs/dbraw/zinc/66/72/82/553667282.db2.gz KCSNSQUWTYAPLB-SNVBAGLBSA-N 1 2 354.407 2.356 20 5 FEBDLO C[C@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000301644924 553668503 /nfs/dbraw/zinc/66/85/03/553668503.db2.gz OVTLFXYXNBPSRJ-BLLLJJGKSA-N 1 2 364.427 2.282 20 5 FEBDLO Cc1nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c(C)c(C)[nH+]1 ZINC000301714747 553673996 /nfs/dbraw/zinc/67/39/96/553673996.db2.gz ZPHNPVQFOJYOPJ-UHFFFAOYSA-N 1 2 361.427 2.334 20 5 FEBDLO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505541644 561673605 /nfs/dbraw/zinc/67/36/05/561673605.db2.gz AFUKNKJIDSCTEQ-QGZVFWFLSA-N 1 2 359.357 2.286 20 5 FEBDLO O=[N+]([O-])c1ccc(CCNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)cc1 ZINC000302897735 553740711 /nfs/dbraw/zinc/74/07/11/553740711.db2.gz PNNKMFULWMRWTJ-INIZCTEOSA-N 1 2 357.414 2.391 20 5 FEBDLO O=[N+]([O-])c1ccc(CCNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)cc1 ZINC000302897735 553740712 /nfs/dbraw/zinc/74/07/12/553740712.db2.gz PNNKMFULWMRWTJ-INIZCTEOSA-N 1 2 357.414 2.391 20 5 FEBDLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505854048 561682934 /nfs/dbraw/zinc/68/29/34/561682934.db2.gz ZDLINKJVKIORHD-LBPRGKRZSA-N 1 2 359.423 2.028 20 5 FEBDLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505854048 561682935 /nfs/dbraw/zinc/68/29/35/561682935.db2.gz ZDLINKJVKIORHD-LBPRGKRZSA-N 1 2 359.423 2.028 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000507408058 561728496 /nfs/dbraw/zinc/72/84/96/561728496.db2.gz SHCRAWVFUCVHMI-HNNXBMFYSA-N 1 2 371.397 2.151 20 5 FEBDLO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)cc1[N+](=O)[O-] ZINC000507858889 561743579 /nfs/dbraw/zinc/74/35/79/561743579.db2.gz IODFBLMGNZRWRL-UHFFFAOYSA-N 1 2 356.382 2.383 20 5 FEBDLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330808225 554174141 /nfs/dbraw/zinc/17/41/41/554174141.db2.gz MAPCGRVEFBPUMR-LLVKDONJSA-N 1 2 361.851 2.009 20 5 FEBDLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330808225 554174144 /nfs/dbraw/zinc/17/41/44/554174144.db2.gz MAPCGRVEFBPUMR-LLVKDONJSA-N 1 2 361.851 2.009 20 5 FEBDLO Cc1nc([N+](=O)[O-])c(-c2noc(CCc3[nH]c4ccccc4[nH+]3)n2)n1C ZINC000350919276 554822431 /nfs/dbraw/zinc/82/24/31/554822431.db2.gz WWCVRXIHTFMMSV-UHFFFAOYSA-N 1 2 353.342 2.348 20 5 FEBDLO CCc1cc(N2CC[NH+](C3COC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000361101080 554904162 /nfs/dbraw/zinc/90/41/62/554904162.db2.gz HTHYNIHARANRNA-UHFFFAOYSA-N 1 2 369.425 2.135 20 5 FEBDLO O=C(NCCn1cc[nH+]c1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 ZINC000361739798 554932342 /nfs/dbraw/zinc/93/23/42/554932342.db2.gz ZMCYWVODIBNASH-AEFFLSMTSA-N 1 2 369.425 2.139 20 5 FEBDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000362624164 554976470 /nfs/dbraw/zinc/97/64/70/554976470.db2.gz VLEDFHFQLPUUQG-SJORKVTESA-N 1 2 360.414 2.052 20 5 FEBDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000362624164 554976471 /nfs/dbraw/zinc/97/64/71/554976471.db2.gz VLEDFHFQLPUUQG-SJORKVTESA-N 1 2 360.414 2.052 20 5 FEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000362821721 554990839 /nfs/dbraw/zinc/99/08/39/554990839.db2.gz CWCGBVLLPLSSGR-UHFFFAOYSA-N 1 2 373.413 2.200 20 5 FEBDLO CN(C(=O)C[N@@H+]1CCCC[C@H]1CN1CCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000362996439 555006499 /nfs/dbraw/zinc/00/64/99/555006499.db2.gz CUXHVTLZUAEDCD-KRWDZBQOSA-N 1 2 374.441 2.035 20 5 FEBDLO CN(C(=O)C[N@H+]1CCCC[C@H]1CN1CCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000362996439 555006500 /nfs/dbraw/zinc/00/65/00/555006500.db2.gz CUXHVTLZUAEDCD-KRWDZBQOSA-N 1 2 374.441 2.035 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H](c2ccncn2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000363015085 555010713 /nfs/dbraw/zinc/01/07/13/555010713.db2.gz UVNLYGZXMPRBBV-HNNXBMFYSA-N 1 2 367.409 2.154 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H](c2ccncn2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000363015085 555010714 /nfs/dbraw/zinc/01/07/14/555010714.db2.gz UVNLYGZXMPRBBV-HNNXBMFYSA-N 1 2 367.409 2.154 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000363076810 555024886 /nfs/dbraw/zinc/02/48/86/555024886.db2.gz YTVNDZJKJUIQHH-UHFFFAOYSA-N 1 2 353.338 2.114 20 5 FEBDLO Cc1ccnc(N2CCC3(CC2)NC(=O)C2(CCCCC2)[NH2+]3)c1[N+](=O)[O-] ZINC000363217815 555056176 /nfs/dbraw/zinc/05/61/76/555056176.db2.gz BZLPTTOUIFGCMF-UHFFFAOYSA-N 1 2 359.430 2.017 20 5 FEBDLO Nc1c(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc(F)cc1[N+](=O)[O-] ZINC000511851669 561882897 /nfs/dbraw/zinc/88/28/97/561882897.db2.gz JYVVKJKWLDZTPX-UHFFFAOYSA-N 1 2 369.356 2.491 20 5 FEBDLO O=C([C@H]1CCCO1)N1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000364230953 555275049 /nfs/dbraw/zinc/27/50/49/555275049.db2.gz VOPCXTKBWBWYTR-MRXNPFEDSA-N 1 2 367.833 2.462 20 5 FEBDLO O=C([C@H]1CCCO1)N1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000364230953 555275051 /nfs/dbraw/zinc/27/50/51/555275051.db2.gz VOPCXTKBWBWYTR-MRXNPFEDSA-N 1 2 367.833 2.462 20 5 FEBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000364696519 555377229 /nfs/dbraw/zinc/37/72/29/555377229.db2.gz MSPLHGOTYGYFCC-HNNXBMFYSA-N 1 2 373.413 2.413 20 5 FEBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000364696519 555377233 /nfs/dbraw/zinc/37/72/33/555377233.db2.gz MSPLHGOTYGYFCC-HNNXBMFYSA-N 1 2 373.413 2.413 20 5 FEBDLO Cc1n[nH]c(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000365109919 555487206 /nfs/dbraw/zinc/48/72/06/555487206.db2.gz MVBUSZSVSXXNMO-NSHDSACASA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1nc(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000365109919 555487209 /nfs/dbraw/zinc/48/72/09/555487209.db2.gz MVBUSZSVSXXNMO-NSHDSACASA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1nnc(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000365109919 555487212 /nfs/dbraw/zinc/48/72/12/555487212.db2.gz MVBUSZSVSXXNMO-NSHDSACASA-N 1 2 358.402 2.228 20 5 FEBDLO O=c1[nH]ccc2c1C[N@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000365191332 555506641 /nfs/dbraw/zinc/50/66/41/555506641.db2.gz LBSHENNCEQKJER-UHFFFAOYSA-N 1 2 353.338 2.304 20 5 FEBDLO O=c1[nH]ccc2c1C[N@@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000365191332 555506642 /nfs/dbraw/zinc/50/66/42/555506642.db2.gz LBSHENNCEQKJER-UHFFFAOYSA-N 1 2 353.338 2.304 20 5 FEBDLO C[C@@H](CN1CCCC1=O)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513683876 561946594 /nfs/dbraw/zinc/94/65/94/561946594.db2.gz NKVNONAKVHVQSM-GUYCJALGSA-N 1 2 357.414 2.018 20 5 FEBDLO COc1cccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)c2[nH+]ccn2C)c1 ZINC000366189988 555776212 /nfs/dbraw/zinc/77/62/12/555776212.db2.gz GPVXOLOLBRKQFN-MRXNPFEDSA-N 1 2 367.365 2.251 20 5 FEBDLO CCc1n[nH]c(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000367306127 556014179 /nfs/dbraw/zinc/01/41/79/556014179.db2.gz UPSLRXZBVIPRFQ-CYBMUJFWSA-N 1 2 363.805 2.320 20 5 FEBDLO CCc1[nH]nc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000367306127 556014180 /nfs/dbraw/zinc/01/41/80/556014180.db2.gz UPSLRXZBVIPRFQ-CYBMUJFWSA-N 1 2 363.805 2.320 20 5 FEBDLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000369010669 556475462 /nfs/dbraw/zinc/47/54/62/556475462.db2.gz QYHIEYQFSFBHCG-ZBFHGGJFSA-N 1 2 357.414 2.306 20 5 FEBDLO C[C@@H](NC(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000369010669 556475467 /nfs/dbraw/zinc/47/54/67/556475467.db2.gz QYHIEYQFSFBHCG-ZBFHGGJFSA-N 1 2 357.414 2.306 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@]2(CCCOC2)O1 ZINC000369551088 556629197 /nfs/dbraw/zinc/62/91/97/556629197.db2.gz NMPSLUIGGRKBOZ-FZKQIMNGSA-N 1 2 374.397 2.415 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@]2(CCCOC2)O1 ZINC000369551088 556629200 /nfs/dbraw/zinc/62/92/00/556629200.db2.gz NMPSLUIGGRKBOZ-FZKQIMNGSA-N 1 2 374.397 2.415 20 5 FEBDLO CC(C)n1cc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cn1 ZINC000369777595 556692272 /nfs/dbraw/zinc/69/22/72/556692272.db2.gz KTKILDJISKCGAJ-UHFFFAOYSA-N 1 2 361.402 2.313 20 5 FEBDLO CC(C)n1cc(C[N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cn1 ZINC000369777595 556692279 /nfs/dbraw/zinc/69/22/79/556692279.db2.gz KTKILDJISKCGAJ-UHFFFAOYSA-N 1 2 361.402 2.313 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000370508744 556894773 /nfs/dbraw/zinc/89/47/73/556894773.db2.gz QKPCVIALKAFYOM-KGLIPLIRSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000370508744 556894778 /nfs/dbraw/zinc/89/47/78/556894778.db2.gz QKPCVIALKAFYOM-KGLIPLIRSA-N 1 2 363.414 2.192 20 5 FEBDLO O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000371589410 557232040 /nfs/dbraw/zinc/23/20/40/557232040.db2.gz SYFJNGLAFNPGAP-QGZVFWFLSA-N 1 2 369.381 2.217 20 5 FEBDLO O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000371589410 557232042 /nfs/dbraw/zinc/23/20/42/557232042.db2.gz SYFJNGLAFNPGAP-QGZVFWFLSA-N 1 2 369.381 2.217 20 5 FEBDLO O=C(NCCCNc1cccc[nH+]1)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372238765 557418170 /nfs/dbraw/zinc/41/81/70/557418170.db2.gz YLVRZGBMFBOIRC-CQSZACIVSA-N 1 2 373.417 2.035 20 5 FEBDLO COc1ccc(OCC[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)c([N+](=O)[O-])c1 ZINC000372612202 557521319 /nfs/dbraw/zinc/52/13/19/557521319.db2.gz MCVVZKFGKYVULC-ZBFHGGJFSA-N 1 2 364.398 2.052 20 5 FEBDLO COc1ccc(OCC[N@H+]2CCOC[C@H]2[C@H]2CCCC2=O)c([N+](=O)[O-])c1 ZINC000372612202 557521320 /nfs/dbraw/zinc/52/13/20/557521320.db2.gz MCVVZKFGKYVULC-ZBFHGGJFSA-N 1 2 364.398 2.052 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)c([N+](=O)[O-])c1 ZINC000372737086 557550728 /nfs/dbraw/zinc/55/07/28/557550728.db2.gz DEPYIJPBANFNDJ-INIZCTEOSA-N 1 2 373.413 2.421 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cn(C)nc2C)c([N+](=O)[O-])c1 ZINC000372737086 557550729 /nfs/dbraw/zinc/55/07/29/557550729.db2.gz DEPYIJPBANFNDJ-INIZCTEOSA-N 1 2 373.413 2.421 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC000372963161 557598132 /nfs/dbraw/zinc/59/81/32/557598132.db2.gz VXFGVDRWXRKRIC-QWHCGFSZSA-N 1 2 365.434 2.160 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC000372963161 557598133 /nfs/dbraw/zinc/59/81/33/557598133.db2.gz VXFGVDRWXRKRIC-QWHCGFSZSA-N 1 2 365.434 2.160 20 5 FEBDLO CN(Cc1cn2c([nH+]1)CCCC2)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000372989236 557604751 /nfs/dbraw/zinc/60/47/51/557604751.db2.gz ITYOEHAAUUJGAB-KRWDZBQOSA-N 1 2 369.425 2.365 20 5 FEBDLO O=C(C[N@@H+]1CCc2sccc2C1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000373075360 557622249 /nfs/dbraw/zinc/62/22/49/557622249.db2.gz VLTZXCCQCBHABV-UHFFFAOYSA-N 1 2 371.422 2.207 20 5 FEBDLO O=C(C[N@H+]1CCc2sccc2C1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000373075360 557622253 /nfs/dbraw/zinc/62/22/53/557622253.db2.gz VLTZXCCQCBHABV-UHFFFAOYSA-N 1 2 371.422 2.207 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000373814582 557765609 /nfs/dbraw/zinc/76/56/09/557765609.db2.gz JJQDDASXVGJQQY-UHFFFAOYSA-N 1 2 353.338 2.114 20 5 FEBDLO COc1cc(C[NH+]2CCN(c3nccnc3C)CC2)c([N+](=O)[O-])cc1OC ZINC000374207082 557843296 /nfs/dbraw/zinc/84/32/96/557843296.db2.gz VQXTWWBHGMIQLZ-UHFFFAOYSA-N 1 2 373.413 2.033 20 5 FEBDLO Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)cc1[N+](=O)[O-] ZINC000374354633 557870791 /nfs/dbraw/zinc/87/07/91/557870791.db2.gz YUUMAFOUKPPUGF-KRWDZBQOSA-N 1 2 361.442 2.410 20 5 FEBDLO Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)cc1[N+](=O)[O-] ZINC000374354633 557870793 /nfs/dbraw/zinc/87/07/93/557870793.db2.gz YUUMAFOUKPPUGF-KRWDZBQOSA-N 1 2 361.442 2.410 20 5 FEBDLO COc1ccccc1[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC[NH2+]1 ZINC000374371783 557873649 /nfs/dbraw/zinc/87/36/49/557873649.db2.gz LXERVEXXOPUGTD-HNNXBMFYSA-N 1 2 371.393 2.399 20 5 FEBDLO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000374375752 557874496 /nfs/dbraw/zinc/87/44/96/557874496.db2.gz UGOFVGZISRVRIT-AWEZNQCLSA-N 1 2 373.340 2.249 20 5 FEBDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374650537 557912024 /nfs/dbraw/zinc/91/20/24/557912024.db2.gz YCNLGCWLWKMSBF-MSELDCQNSA-N 1 2 357.332 2.021 20 5 FEBDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374650537 557912025 /nfs/dbraw/zinc/91/20/25/557912025.db2.gz YCNLGCWLWKMSBF-MSELDCQNSA-N 1 2 357.332 2.021 20 5 FEBDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)CC2 ZINC000374667465 557914448 /nfs/dbraw/zinc/91/44/48/557914448.db2.gz ZUCLNBOEXBZXHQ-UHFFFAOYSA-N 1 2 370.818 2.266 20 5 FEBDLO NC(=O)[C@@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000375414388 558023158 /nfs/dbraw/zinc/02/31/58/558023158.db2.gz ZCMIFRKAILMHJQ-RKDXNWHRSA-N 1 2 351.712 2.344 20 5 FEBDLO NC(=O)[C@@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000375414388 558023159 /nfs/dbraw/zinc/02/31/59/558023159.db2.gz ZCMIFRKAILMHJQ-RKDXNWHRSA-N 1 2 351.712 2.344 20 5 FEBDLO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000376000447 558112073 /nfs/dbraw/zinc/11/20/73/558112073.db2.gz SLZRDCLMJNJNDL-KSSFIOAISA-N 1 2 370.409 2.460 20 5 FEBDLO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000376000447 558112075 /nfs/dbraw/zinc/11/20/75/558112075.db2.gz SLZRDCLMJNJNDL-KSSFIOAISA-N 1 2 370.409 2.460 20 5 FEBDLO CN(C)c1ccc(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c[nH+]1 ZINC000521926790 562186598 /nfs/dbraw/zinc/18/65/98/562186598.db2.gz DQJDOMKTYFEGBM-UHFFFAOYSA-N 1 2 367.365 2.240 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000377663248 558390009 /nfs/dbraw/zinc/39/00/09/558390009.db2.gz UNJMQHXJJUBKRL-PBHICJAKSA-N 1 2 374.441 2.399 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000377663248 558390012 /nfs/dbraw/zinc/39/00/12/558390012.db2.gz UNJMQHXJJUBKRL-PBHICJAKSA-N 1 2 374.441 2.399 20 5 FEBDLO Cc1[nH+]c2n(c1CN1CCN(c3nccc(C)c3[N+](=O)[O-])CC1)CCCC2 ZINC000378525942 558575487 /nfs/dbraw/zinc/57/54/87/558575487.db2.gz JFRSEFQXGNUDKU-UHFFFAOYSA-N 1 2 370.457 2.462 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000378648772 558600438 /nfs/dbraw/zinc/60/04/38/558600438.db2.gz JEBSDKYRPCALDX-CYBMUJFWSA-N 1 2 350.396 2.451 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000378648772 558600440 /nfs/dbraw/zinc/60/04/40/558600440.db2.gz JEBSDKYRPCALDX-CYBMUJFWSA-N 1 2 350.396 2.451 20 5 FEBDLO Cc1cc(C)c(NC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000411329832 558878378 /nfs/dbraw/zinc/87/83/78/558878378.db2.gz VYMDTVXKRXHLHJ-UHFFFAOYSA-N 1 2 356.382 2.212 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1csnn1 ZINC000412031301 559004278 /nfs/dbraw/zinc/00/42/78/559004278.db2.gz BWLMXBWCYMTECF-RKDXNWHRSA-N 1 2 351.388 2.133 20 5 FEBDLO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2csnn2)c([N+](=O)[O-])c1 ZINC000412035994 559004986 /nfs/dbraw/zinc/00/49/86/559004986.db2.gz ICSVOAMDXHXTCG-VIFPVBQESA-N 1 2 351.388 2.134 20 5 FEBDLO O=C1NC2(CCCC2)C(=O)N1CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413237878 559091090 /nfs/dbraw/zinc/09/10/90/559091090.db2.gz UFSFXSZNJRBJAD-UHFFFAOYSA-N 1 2 369.381 2.420 20 5 FEBDLO CC(=O)c1ccc(NCC2([NH+]3CCOCC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000413399502 559105138 /nfs/dbraw/zinc/10/51/38/559105138.db2.gz JCRYIDOEZVAJKZ-UHFFFAOYSA-N 1 2 363.414 2.091 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000414469437 559166544 /nfs/dbraw/zinc/16/65/44/559166544.db2.gz MFEZZYJMXUTIJO-LLVKDONJSA-N 1 2 352.416 2.023 20 5 FEBDLO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000425373943 559698484 /nfs/dbraw/zinc/69/84/84/559698484.db2.gz QUTZKMPQCVRSDN-UHFFFAOYSA-N 1 2 369.377 2.419 20 5 FEBDLO C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000425373943 559698485 /nfs/dbraw/zinc/69/84/85/559698485.db2.gz QUTZKMPQCVRSDN-UHFFFAOYSA-N 1 2 369.377 2.419 20 5 FEBDLO CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000425922518 559725270 /nfs/dbraw/zinc/72/52/70/559725270.db2.gz RJBNZBRGMSRUHT-AWEZNQCLSA-N 1 2 372.219 2.143 20 5 FEBDLO CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000425922518 559725271 /nfs/dbraw/zinc/72/52/71/559725271.db2.gz RJBNZBRGMSRUHT-AWEZNQCLSA-N 1 2 372.219 2.143 20 5 FEBDLO CC[C@H]1C[N@H+](CCNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000426189272 559731289 /nfs/dbraw/zinc/73/12/89/559731289.db2.gz YTRBSYTVGIMVST-KGLIPLIRSA-N 1 2 350.419 2.066 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000426189272 559731290 /nfs/dbraw/zinc/73/12/90/559731290.db2.gz YTRBSYTVGIMVST-KGLIPLIRSA-N 1 2 350.419 2.066 20 5 FEBDLO C[C@]12CC[N@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]1C2(F)F ZINC000428709010 559781680 /nfs/dbraw/zinc/78/16/80/559781680.db2.gz GRZILPHMHNBIBL-KGLIPLIRSA-N 1 2 360.382 2.346 20 5 FEBDLO C[C@]12CC[N@@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]1C2(F)F ZINC000428709010 559781681 /nfs/dbraw/zinc/78/16/81/559781681.db2.gz GRZILPHMHNBIBL-KGLIPLIRSA-N 1 2 360.382 2.346 20 5 FEBDLO CC(C)(CNc1ccnc2c1cccc2[N+](=O)[O-])[NH+]1CCS(=O)CC1 ZINC000432334971 559856671 /nfs/dbraw/zinc/85/66/71/559856671.db2.gz LHTZBZMZZPLAOW-UHFFFAOYSA-N 1 2 362.455 2.398 20 5 FEBDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000432881136 559867067 /nfs/dbraw/zinc/86/70/67/559867067.db2.gz QERQRAKRMQOGGC-BLLLJJGKSA-N 1 2 362.361 2.046 20 5 FEBDLO Nc1nc(NCc2[nH+]ccn2CCCc2ccccc2)ncc1[N+](=O)[O-] ZINC000433654715 559885757 /nfs/dbraw/zinc/88/57/57/559885757.db2.gz SXDGQHXUAXDUJJ-UHFFFAOYSA-N 1 2 353.386 2.408 20 5 FEBDLO Cc1sc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000434776076 559909114 /nfs/dbraw/zinc/90/91/14/559909114.db2.gz MEKHUTUJVRYICF-LBPRGKRZSA-N 1 2 359.473 2.260 20 5 FEBDLO Cc1sc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000434776076 559909115 /nfs/dbraw/zinc/90/91/15/559909115.db2.gz MEKHUTUJVRYICF-LBPRGKRZSA-N 1 2 359.473 2.260 20 5 FEBDLO CC[NH+](CC)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436984725 559958491 /nfs/dbraw/zinc/95/84/91/559958491.db2.gz ZPMMMERCWPZSRM-UHFFFAOYSA-N 1 2 365.430 2.263 20 5 FEBDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000442837084 560059224 /nfs/dbraw/zinc/05/92/24/560059224.db2.gz MZUXWMXVICCWQM-SFHVURJKSA-N 1 2 363.414 2.131 20 5 FEBDLO COC(=O)[C@H](CC(C)C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448574990 560190699 /nfs/dbraw/zinc/19/06/99/560190699.db2.gz SMAJWLNJBLSHPO-ZDUSSCGKSA-N 1 2 360.370 2.098 20 5 FEBDLO Cc1nn(C)c(C)c1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448685120 560194243 /nfs/dbraw/zinc/19/42/43/560194243.db2.gz SZTLLBYLXARBLO-UHFFFAOYSA-N 1 2 368.397 2.103 20 5 FEBDLO CN(C)c1[nH+]cccc1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448701121 560195154 /nfs/dbraw/zinc/19/51/54/560195154.db2.gz YZHHVYFSSOUPRT-UHFFFAOYSA-N 1 2 356.382 2.335 20 5 FEBDLO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000449562319 560233532 /nfs/dbraw/zinc/23/35/32/560233532.db2.gz JFSIKUXDLXLLPQ-GFCCVEGCSA-N 1 2 362.386 2.214 20 5 FEBDLO CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450115212 560251086 /nfs/dbraw/zinc/25/10/86/560251086.db2.gz VROYBQAGVAFLNA-GFCCVEGCSA-N 1 2 360.370 2.193 20 5 FEBDLO O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450136128 560251751 /nfs/dbraw/zinc/25/17/51/560251751.db2.gz ZPYVXAWKCYNRNV-CPUCHLNUSA-N 1 2 356.382 2.468 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H]2COCC[C@@H]21 ZINC000450142137 560251994 /nfs/dbraw/zinc/25/19/94/560251994.db2.gz BCCQYLOUKQUSGH-GJZGRUSLSA-N 1 2 356.382 2.422 20 5 FEBDLO Cn1cc[nH+]c1CN1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450319260 560258405 /nfs/dbraw/zinc/25/84/05/560258405.db2.gz PQLNANJCIPWXBQ-UHFFFAOYSA-N 1 2 352.398 2.199 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000450531843 560265324 /nfs/dbraw/zinc/26/53/24/560265324.db2.gz LFKYGWJSNPZFJK-AWEZNQCLSA-N 1 2 367.369 2.266 20 5 FEBDLO CCOC(=O)CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCC1 ZINC000450923875 560278852 /nfs/dbraw/zinc/27/88/52/560278852.db2.gz SHJJRDVHZPYLAS-UHFFFAOYSA-N 1 2 372.381 2.338 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451891824 560335107 /nfs/dbraw/zinc/33/51/07/560335107.db2.gz OSSLLHONPPFDOS-GIPNMCIBSA-N 1 2 361.320 2.167 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451891824 560335108 /nfs/dbraw/zinc/33/51/08/560335108.db2.gz OSSLLHONPPFDOS-GIPNMCIBSA-N 1 2 361.320 2.167 20 5 FEBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000451937084 560339082 /nfs/dbraw/zinc/33/90/82/560339082.db2.gz VJJOGVDMKFMLGM-CQSZACIVSA-N 1 2 355.460 2.316 20 5 FEBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000451937084 560339083 /nfs/dbraw/zinc/33/90/83/560339083.db2.gz VJJOGVDMKFMLGM-CQSZACIVSA-N 1 2 355.460 2.316 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1c[nH+]c(C)cc1C ZINC000452041614 560347341 /nfs/dbraw/zinc/34/73/41/560347341.db2.gz JVFLPYQELBCQGA-UHFFFAOYSA-N 1 2 351.384 2.094 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@]2(CCOC2)C1 ZINC000456687657 560528998 /nfs/dbraw/zinc/52/89/98/560528998.db2.gz GANSKDIYGFXHLB-SFHVURJKSA-N 1 2 356.382 2.423 20 5 FEBDLO COC(=O)c1cc(C(=O)Nc2nc(C[NH+](C)C)cs2)cc([N+](=O)[O-])c1 ZINC000457282267 560560177 /nfs/dbraw/zinc/56/01/77/560560177.db2.gz BLNSRABJQIJOJI-UHFFFAOYSA-N 1 2 364.383 2.152 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000463973729 560829610 /nfs/dbraw/zinc/82/96/10/560829610.db2.gz UCXYRWHVAAIXIT-UHFFFAOYSA-N 1 2 372.429 2.295 20 5 FEBDLO CCOC(=O)c1ccnc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000468773910 560938485 /nfs/dbraw/zinc/93/84/85/560938485.db2.gz BBUZWNOMDAJQHX-ZDUSSCGKSA-N 1 2 358.354 2.219 20 5 FEBDLO CC(=Cc1cccc([N+](=O)[O-])c1)CNc1ccn(CC[NH+]2CCOCC2)n1 ZINC000468899258 560941702 /nfs/dbraw/zinc/94/17/02/560941702.db2.gz HYKMCUDDLQJCAL-DTQAZKPQSA-N 1 2 371.441 2.639 20 5 FEBDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000469844333 560966352 /nfs/dbraw/zinc/96/63/52/560966352.db2.gz YPHFGUTYPDQWRX-ONGXEEELSA-N 1 2 355.778 2.070 20 5 FEBDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000469844333 560966353 /nfs/dbraw/zinc/96/63/53/560966353.db2.gz YPHFGUTYPDQWRX-ONGXEEELSA-N 1 2 355.778 2.070 20 5 FEBDLO O=C(C[NH+]1CCC(Oc2ccccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000471152273 560999263 /nfs/dbraw/zinc/99/92/63/560999263.db2.gz QEYYMPSWQRYRNK-UHFFFAOYSA-N 1 2 356.382 2.472 20 5 FEBDLO CCOC(=O)C[N@@H+]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473504289 561051498 /nfs/dbraw/zinc/05/14/98/561051498.db2.gz BJUHSWSQPRLIMX-UHFFFAOYSA-N 1 2 358.398 2.218 20 5 FEBDLO CCOC(=O)C[N@H+]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473504289 561051499 /nfs/dbraw/zinc/05/14/99/561051499.db2.gz BJUHSWSQPRLIMX-UHFFFAOYSA-N 1 2 358.398 2.218 20 5 FEBDLO COC(=O)CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccc(F)c(F)c1 ZINC000475881854 561107207 /nfs/dbraw/zinc/10/72/07/561107207.db2.gz MQGSZHHFSAUFAI-UHFFFAOYSA-N 1 2 368.340 2.172 20 5 FEBDLO COC(=O)CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccc(F)c(F)c1 ZINC000475881854 561107208 /nfs/dbraw/zinc/10/72/08/561107208.db2.gz MQGSZHHFSAUFAI-UHFFFAOYSA-N 1 2 368.340 2.172 20 5 FEBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531628231 562452055 /nfs/dbraw/zinc/45/20/55/562452055.db2.gz JGFYYQNREGSWPY-UHFFFAOYSA-N 1 2 356.382 2.383 20 5 FEBDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000531887752 562459994 /nfs/dbraw/zinc/45/99/94/562459994.db2.gz SIDAXSKOEDWZOK-SFHVURJKSA-N 1 2 370.409 2.102 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000570664633 568494445 /nfs/dbraw/zinc/49/44/45/568494445.db2.gz HUDNRQQBAXSFPA-IAGOWNOFSA-N 1 2 361.442 2.290 20 5 FEBDLO C[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000813526145 674756104 /nfs/dbraw/zinc/75/61/04/674756104.db2.gz GRJZQOWWYWVXTK-VIFPVBQESA-N 1 2 362.213 2.040 20 5 FEBDLO C[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@H+]1CCO ZINC000813526145 674756105 /nfs/dbraw/zinc/75/61/05/674756105.db2.gz GRJZQOWWYWVXTK-VIFPVBQESA-N 1 2 362.213 2.040 20 5 FEBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000815028487 674901909 /nfs/dbraw/zinc/90/19/09/674901909.db2.gz CRSKSCGXIABHMJ-BDAKNGLRSA-N 1 2 365.814 2.100 20 5 FEBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000815028487 674901913 /nfs/dbraw/zinc/90/19/13/674901913.db2.gz CRSKSCGXIABHMJ-BDAKNGLRSA-N 1 2 365.814 2.100 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000564356504 675000839 /nfs/dbraw/zinc/00/08/39/675000839.db2.gz PMUQZSUJEJLGTI-ZIAGYGMSSA-N 1 2 365.455 2.009 20 5 FEBDLO Cc1nn(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c(C)c1[N+](=O)[O-] ZINC000176208815 672374562 /nfs/dbraw/zinc/37/45/62/672374562.db2.gz UDCQKHGDDMUIFB-MRXNPFEDSA-N 1 2 352.435 2.416 20 5 FEBDLO CSC[C@@H](CCO)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000611560958 676044323 /nfs/dbraw/zinc/04/43/23/676044323.db2.gz UYRXYXQALMDHDW-UKRRQHHQSA-N 1 2 350.444 2.121 20 5 FEBDLO CS(=O)(=O)c1ccc(N2CC[NH+](CCC3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000595289832 673216794 /nfs/dbraw/zinc/21/67/94/673216794.db2.gz UVPNWQNLQQTBBU-UHFFFAOYSA-N 1 2 367.471 2.311 20 5 FEBDLO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cscn1 ZINC000595669681 673281391 /nfs/dbraw/zinc/28/13/91/673281391.db2.gz YQNKEYKTKCJHIM-MRVPVSSYSA-N 1 2 350.356 2.069 20 5 FEBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000731987772 673350441 /nfs/dbraw/zinc/35/04/41/673350441.db2.gz RAHHFDFTSCHTRR-SECBINFHSA-N 1 2 361.370 2.240 20 5 FEBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000731987772 673350444 /nfs/dbraw/zinc/35/04/44/673350444.db2.gz RAHHFDFTSCHTRR-SECBINFHSA-N 1 2 361.370 2.240 20 5 FEBDLO O=[N+]([O-])c1cccc(Br)c1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000596111942 673359577 /nfs/dbraw/zinc/35/95/77/673359577.db2.gz FBOKKPAHOHSLEQ-OCCSQVGLSA-N 1 2 370.247 2.393 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000596839578 673418761 /nfs/dbraw/zinc/41/87/61/673418761.db2.gz SQFOBYDDAVYBKK-KGLIPLIRSA-N 1 2 350.419 2.442 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000596839578 673418764 /nfs/dbraw/zinc/41/87/64/673418764.db2.gz SQFOBYDDAVYBKK-KGLIPLIRSA-N 1 2 350.419 2.442 20 5 FEBDLO C[C@]1(CO)C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000599624900 673698807 /nfs/dbraw/zinc/69/88/07/673698807.db2.gz KFECVIYQFXBDSJ-GASCZTMLSA-N 1 2 373.247 2.170 20 5 FEBDLO C[C@]1(CO)C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000599624900 673698809 /nfs/dbraw/zinc/69/88/09/673698809.db2.gz KFECVIYQFXBDSJ-GASCZTMLSA-N 1 2 373.247 2.170 20 5 FEBDLO CN1CC[N@H+](C)C[C@@H]1c1noc(Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000545087205 673744346 /nfs/dbraw/zinc/74/43/46/673744346.db2.gz ZFIZYBQNOFDFGI-CYBMUJFWSA-N 1 2 351.794 2.140 20 5 FEBDLO CN1CC[N@@H+](C)C[C@@H]1c1noc(Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000545087205 673744348 /nfs/dbraw/zinc/74/43/48/673744348.db2.gz ZFIZYBQNOFDFGI-CYBMUJFWSA-N 1 2 351.794 2.140 20 5 FEBDLO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000602960293 673914927 /nfs/dbraw/zinc/91/49/27/673914927.db2.gz ZHUFQVOIADHLPF-UHFFFAOYSA-N 1 2 361.427 2.131 20 5 FEBDLO O=[N+]([O-])c1ccc([C@H]2CCCN(S(=O)(=O)CCn3cc[nH+]c3)C2)cc1 ZINC000603363173 673926455 /nfs/dbraw/zinc/92/64/55/673926455.db2.gz XLNVVXAVOXHWQR-HNNXBMFYSA-N 1 2 364.427 2.001 20 5 FEBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000566806965 675244325 /nfs/dbraw/zinc/24/43/25/675244325.db2.gz ZQZWQGFJVKAZMD-CYBMUJFWSA-N 1 2 351.428 2.456 20 5 FEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000820827950 675392092 /nfs/dbraw/zinc/39/20/92/675392092.db2.gz QCWVDSMUPVFBEK-MNOVXSKESA-N 1 2 356.810 2.479 20 5 FEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000820827950 675392095 /nfs/dbraw/zinc/39/20/95/675392095.db2.gz QCWVDSMUPVFBEK-MNOVXSKESA-N 1 2 356.810 2.479 20 5 FEBDLO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)c1c([N+](=O)[O-])ncn1C ZINC000619497153 676381765 /nfs/dbraw/zinc/38/17/65/676381765.db2.gz LWQLVFXYCPPIGJ-RYUDHWBXSA-N 1 2 368.438 2.142 20 5 FEBDLO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)c1c([N+](=O)[O-])ncn1C ZINC000619497153 676381766 /nfs/dbraw/zinc/38/17/66/676381766.db2.gz LWQLVFXYCPPIGJ-RYUDHWBXSA-N 1 2 368.438 2.142 20 5 FEBDLO Cc1cc(Cl)ccc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017546319 680076942 /nfs/dbraw/zinc/07/69/42/680076942.db2.gz PKOSWSDZDNNWOV-YYIAUSFCSA-N 1 2 363.845 2.489 20 5 FEBDLO Cc1cc(Cl)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017546319 680076945 /nfs/dbraw/zinc/07/69/45/680076945.db2.gz PKOSWSDZDNNWOV-YYIAUSFCSA-N 1 2 363.845 2.489 20 5 FEBDLO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1Cl ZINC000981137561 680217071 /nfs/dbraw/zinc/21/70/71/680217071.db2.gz XBCFHDZKAWLPTO-UKRRQHHQSA-N 1 2 367.833 2.048 20 5 FEBDLO COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1Cl ZINC000981137561 680217075 /nfs/dbraw/zinc/21/70/75/680217075.db2.gz XBCFHDZKAWLPTO-UKRRQHHQSA-N 1 2 367.833 2.048 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2cccc(C(F)F)c2)CC1 ZINC000981137392 680217156 /nfs/dbraw/zinc/21/71/56/680217156.db2.gz SCVOTMOQLPZTAA-HUUCEWRRSA-N 1 2 353.369 2.324 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](Cc2cccc(C(F)F)c2)CC1 ZINC000981137392 680217158 /nfs/dbraw/zinc/21/71/58/680217158.db2.gz SCVOTMOQLPZTAA-HUUCEWRRSA-N 1 2 353.369 2.324 20 5 FEBDLO Cn1c[nH+]cc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000752952109 680267474 /nfs/dbraw/zinc/26/74/74/680267474.db2.gz LQIVZZYTRWGMIM-UHFFFAOYSA-N 1 2 357.139 2.160 20 5 FEBDLO CCCCc1nc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001002785674 680507821 /nfs/dbraw/zinc/50/78/21/680507821.db2.gz UMOLBSLNKLNGFE-HUUCEWRRSA-N 1 2 366.487 2.232 20 5 FEBDLO C[C@H](c1nccs1)N1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000767000150 680896213 /nfs/dbraw/zinc/89/62/13/680896213.db2.gz AOTCPCMOMABTLM-CJNGLKHVSA-N 1 2 362.455 2.464 20 5 FEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C[C@H]1C ZINC000771785684 681069921 /nfs/dbraw/zinc/06/99/21/681069921.db2.gz TZSQDJOCPZTKLI-NEPJUHHUSA-N 1 2 359.423 2.146 20 5 FEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C[C@H]1C ZINC000771785684 681069923 /nfs/dbraw/zinc/06/99/23/681069923.db2.gz TZSQDJOCPZTKLI-NEPJUHHUSA-N 1 2 359.423 2.146 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[N@@H+](C)CC2(C)C)c1 ZINC000779918078 681771108 /nfs/dbraw/zinc/77/11/08/681771108.db2.gz QNGFMXBDYICDMJ-UHFFFAOYSA-N 1 2 361.851 2.271 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[N@H+](C)CC2(C)C)c1 ZINC000779918078 681771113 /nfs/dbraw/zinc/77/11/13/681771113.db2.gz QNGFMXBDYICDMJ-UHFFFAOYSA-N 1 2 361.851 2.271 20 5 FEBDLO O=C1NCC2(CC[NH+](Cc3c(Br)cccc3[N+](=O)[O-])CC2)O1 ZINC000783721528 682169202 /nfs/dbraw/zinc/16/92/02/682169202.db2.gz CLPCYPWBFZPTAZ-UHFFFAOYSA-N 1 2 370.203 2.432 20 5 FEBDLO CCS(=O)(=O)N(CCc1c[nH+]cn1C)c1ccc([N+](=O)[O-])cc1C ZINC000857244570 682868890 /nfs/dbraw/zinc/86/88/90/682868890.db2.gz FMYOKCXECCAPGL-UHFFFAOYSA-N 1 2 352.416 2.036 20 5 FEBDLO COc1c(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000793575843 682896375 /nfs/dbraw/zinc/89/63/75/682896375.db2.gz CXLQZFRFWNDOPZ-UHFFFAOYSA-N 1 2 357.357 2.405 20 5 FEBDLO COc1c(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000793575843 682896379 /nfs/dbraw/zinc/89/63/79/682896379.db2.gz CXLQZFRFWNDOPZ-UHFFFAOYSA-N 1 2 357.357 2.405 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCn2c[nH+]cc21 ZINC000857982268 682929676 /nfs/dbraw/zinc/92/96/76/682929676.db2.gz HJKLJYGCFAVQML-LBPRGKRZSA-N 1 2 365.187 2.358 20 5 FEBDLO CN(C)S(=O)(=O)c1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])o1 ZINC000795221957 683030235 /nfs/dbraw/zinc/03/02/35/683030235.db2.gz ZNLMNIDPWZIDBA-UHFFFAOYSA-N 1 2 367.427 2.463 20 5 FEBDLO CC[NH+](CC)Cc1csc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)n1 ZINC000919992943 683312164 /nfs/dbraw/zinc/31/21/64/683312164.db2.gz NFATVGXIHIUPBP-UHFFFAOYSA-N 1 2 352.420 2.187 20 5 FEBDLO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NCCCn1cc[nH+]c1 ZINC000864413268 683848055 /nfs/dbraw/zinc/84/80/55/683848055.db2.gz GDUISWTXAGICEH-UHFFFAOYSA-N 1 2 367.203 2.303 20 5 FEBDLO C[C@@H](NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000872902118 685031290 /nfs/dbraw/zinc/03/12/90/685031290.db2.gz LHNZTVNMNLXDMH-BFHYXJOUSA-N 1 2 350.419 2.064 20 5 FEBDLO CCOC(=O)[C@@H](C)C1C[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000877829655 686472898 /nfs/dbraw/zinc/47/28/98/686472898.db2.gz ZFTFMLSDKHYWND-NSHDSACASA-N 1 2 352.387 2.243 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880316738 687033179 /nfs/dbraw/zinc/03/31/79/687033179.db2.gz GUVWBUHBGKLDPV-LLVKDONJSA-N 1 2 362.411 2.488 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880316738 687033180 /nfs/dbraw/zinc/03/31/80/687033180.db2.gz GUVWBUHBGKLDPV-LLVKDONJSA-N 1 2 362.411 2.488 20 5 FEBDLO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)cc1SC ZINC000898492187 690193354 /nfs/dbraw/zinc/19/33/54/690193354.db2.gz SMZAZZNSTAUDQE-LLVKDONJSA-N 1 2 371.434 2.489 20 5 FEBDLO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cc1SC ZINC000898492187 690193357 /nfs/dbraw/zinc/19/33/57/690193357.db2.gz SMZAZZNSTAUDQE-LLVKDONJSA-N 1 2 371.434 2.489 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccccc2O)CC1 ZINC000003538606 539369446 /nfs/dbraw/zinc/36/94/46/539369446.db2.gz IKPARACDWWEXRP-CQSZACIVSA-N 1 2 370.409 2.450 20 5 FEBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])NCc1cn2ccccc2[nH+]1 ZINC000009735933 539506972 /nfs/dbraw/zinc/50/69/72/539506972.db2.gz LHUSXICXPDOAHI-UHFFFAOYSA-N 1 2 354.370 2.154 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000022970352 539703647 /nfs/dbraw/zinc/70/36/47/539703647.db2.gz AMFCKBDCYYPENO-OAHLLOKOSA-N 1 2 365.430 2.080 20 5 FEBDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000023618741 539717823 /nfs/dbraw/zinc/71/78/23/539717823.db2.gz PWSFCYFHHALEET-UHFFFAOYSA-N 1 2 373.804 2.252 20 5 FEBDLO CSc1ccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000025327351 539756083 /nfs/dbraw/zinc/75/60/83/539756083.db2.gz RILWEKLBWAKTHQ-HNNXBMFYSA-N 1 2 367.471 2.403 20 5 FEBDLO Cc1ccc(NC(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000026481550 539787378 /nfs/dbraw/zinc/78/73/78/539787378.db2.gz BCFLJPULUZJMSH-UHFFFAOYSA-N 1 2 355.398 2.059 20 5 FEBDLO Cc1cc(N2CCN(C(=O)c3cc([N+](=O)[O-])cn3C)CC2)nc(C(C)C)[nH+]1 ZINC000027017323 539799238 /nfs/dbraw/zinc/79/92/38/539799238.db2.gz MBSSVRAYHZKYCR-UHFFFAOYSA-N 1 2 372.429 2.118 20 5 FEBDLO Cc1cc(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])ccc1[NH+](C)C ZINC000029627321 539859020 /nfs/dbraw/zinc/85/90/20/539859020.db2.gz TYUOTQLVTQXNAW-UHFFFAOYSA-N 1 2 350.400 2.360 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000038630099 539999761 /nfs/dbraw/zinc/99/97/61/539999761.db2.gz POMZMQLQOLNTMH-ZDUSSCGKSA-N 1 2 353.400 2.077 20 5 FEBDLO O=C(NCc1ccccc1[N+](=O)[O-])NC1CCN(c2cccc[nH+]2)CC1 ZINC000045622676 540219061 /nfs/dbraw/zinc/21/90/61/540219061.db2.gz VNYFBYSUEIVCMP-UHFFFAOYSA-N 1 2 355.398 2.458 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000045713745 540223440 /nfs/dbraw/zinc/22/34/40/540223440.db2.gz VETJBTASMXNDMG-UHFFFAOYSA-N 1 2 361.851 2.271 20 5 FEBDLO Cc1cc(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000046718951 540267958 /nfs/dbraw/zinc/26/79/58/540267958.db2.gz AQRDQRKVLIVYAR-CQSZACIVSA-N 1 2 370.409 2.453 20 5 FEBDLO CCOC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000047406772 540308032 /nfs/dbraw/zinc/30/80/32/540308032.db2.gz AEXHTAHEXMTJNI-ZDUSSCGKSA-N 1 2 360.370 2.420 20 5 FEBDLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000047406772 540308035 /nfs/dbraw/zinc/30/80/35/540308035.db2.gz AEXHTAHEXMTJNI-ZDUSSCGKSA-N 1 2 360.370 2.420 20 5 FEBDLO Cc1nn(C)c(NC[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000052488439 540467716 /nfs/dbraw/zinc/46/77/16/540467716.db2.gz WHAYXVUIWYFDBD-MRXNPFEDSA-N 1 2 359.430 2.431 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)c1C ZINC000052782306 540489272 /nfs/dbraw/zinc/48/92/72/540489272.db2.gz HTDWPPIVKXNOGT-UHFFFAOYSA-N 1 2 355.460 2.174 20 5 FEBDLO COc1ccccc1[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1[nH+]ccn1C ZINC000053341572 540527416 /nfs/dbraw/zinc/52/74/16/540527416.db2.gz VGRNUWHFKCWLTL-OAHLLOKOSA-N 1 2 356.338 2.449 20 5 FEBDLO Cc1noc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000054677170 540602243 /nfs/dbraw/zinc/60/22/43/540602243.db2.gz AMWFDMBGRNMCSU-WCQYABFASA-N 1 2 359.386 2.493 20 5 FEBDLO Cc1noc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000054677170 540602247 /nfs/dbraw/zinc/60/22/47/540602247.db2.gz AMWFDMBGRNMCSU-WCQYABFASA-N 1 2 359.386 2.493 20 5 FEBDLO COc1ccc(OC)c(C[NH+]2CCN(c3ccncc3[N+](=O)[O-])CC2)c1 ZINC000060342928 541106633 /nfs/dbraw/zinc/10/66/33/541106633.db2.gz NSPAXZDZQQYGSZ-UHFFFAOYSA-N 1 2 358.398 2.329 20 5 FEBDLO O=C(c1ccsc1)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065535651 541244195 /nfs/dbraw/zinc/24/41/95/541244195.db2.gz AUPULYRBFRTVBJ-UHFFFAOYSA-N 1 2 361.423 2.493 20 5 FEBDLO C[C@H]1CCC[C@@H](NC(=O)CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000066566674 541337669 /nfs/dbraw/zinc/33/76/69/541337669.db2.gz JEIKUENFPKKRTG-FUHWJXTLSA-N 1 2 374.485 2.407 20 5 FEBDLO CC(C)[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000068123482 541552075 /nfs/dbraw/zinc/55/20/75/541552075.db2.gz FAAWCDQGYYDYTO-OAHLLOKOSA-N 1 2 355.822 2.335 20 5 FEBDLO Cc1cccc2[nH+]c(CNC(=O)NCCNc3ccc([N+](=O)[O-])cc3)cn21 ZINC000069389717 541682495 /nfs/dbraw/zinc/68/24/95/541682495.db2.gz NYELNYQKAUUFTR-UHFFFAOYSA-N 1 2 368.397 2.462 20 5 FEBDLO CC(C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000071382149 541766668 /nfs/dbraw/zinc/76/66/68/541766668.db2.gz NEZMRSUEGONWFC-UHFFFAOYSA-N 1 2 358.236 2.250 20 5 FEBDLO CCOc1ccc(C(=O)N2CC[NH+](CCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000074389709 542077246 /nfs/dbraw/zinc/07/72/46/542077246.db2.gz ULMIOCKBIMOWNH-UHFFFAOYSA-N 1 2 365.430 2.176 20 5 FEBDLO CCc1cc(NC[C@@H](O)c2cnn(C)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000078374820 542458834 /nfs/dbraw/zinc/45/88/34/542458834.db2.gz LXYQQRKMOPHKOF-MRXNPFEDSA-N 1 2 368.397 2.493 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(c3nc[nH]n3)CC2)cccc1[N+](=O)[O-] ZINC000083444049 542697219 /nfs/dbraw/zinc/69/72/19/542697219.db2.gz SGRVMWKVNMHBAT-LBPRGKRZSA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1nn(C)c(Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)c1[N+](=O)[O-] ZINC000078727497 132191677 /nfs/dbraw/zinc/19/16/77/132191677.db2.gz SJNOINSLEDNVHY-UHFFFAOYSA-N 1 2 358.402 2.082 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000088777592 542757180 /nfs/dbraw/zinc/75/71/80/542757180.db2.gz ZXLCZRGBHQRFQX-GFCCVEGCSA-N 1 2 350.400 2.195 20 5 FEBDLO NC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000092734776 542883483 /nfs/dbraw/zinc/88/34/83/542883483.db2.gz UFDKSKJNAURPIZ-HNNXBMFYSA-N 1 2 365.773 2.194 20 5 FEBDLO NC(=O)[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000092734776 542883485 /nfs/dbraw/zinc/88/34/85/542883485.db2.gz UFDKSKJNAURPIZ-HNNXBMFYSA-N 1 2 365.773 2.194 20 5 FEBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093441264 542930860 /nfs/dbraw/zinc/93/08/60/542930860.db2.gz ICYTWFAUQFZYPZ-ZFWWWQNUSA-N 1 2 362.407 2.432 20 5 FEBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093441264 542930863 /nfs/dbraw/zinc/93/08/63/542930863.db2.gz ICYTWFAUQFZYPZ-ZFWWWQNUSA-N 1 2 362.407 2.432 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(N2CCCC2=O)CC1 ZINC000104730418 543140345 /nfs/dbraw/zinc/14/03/45/543140345.db2.gz HFOTVQLCTOSWKP-CYBMUJFWSA-N 1 2 360.414 2.009 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111295131 543393934 /nfs/dbraw/zinc/39/39/34/543393934.db2.gz PUUVBSISVUVZBJ-CJNGLKHVSA-N 1 2 360.414 2.009 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111295131 543393936 /nfs/dbraw/zinc/39/39/36/543393936.db2.gz PUUVBSISVUVZBJ-CJNGLKHVSA-N 1 2 360.414 2.009 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000120415847 543679679 /nfs/dbraw/zinc/67/96/79/543679679.db2.gz UAXMAPDPGGSIJT-UHFFFAOYSA-N 1 2 355.354 2.174 20 5 FEBDLO Cc1sc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000122817151 543725554 /nfs/dbraw/zinc/72/55/54/543725554.db2.gz BXFQEUCLNHAODP-LLVKDONJSA-N 1 2 359.429 2.139 20 5 FEBDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000123577848 543770277 /nfs/dbraw/zinc/77/02/77/543770277.db2.gz FACPPIXDVYSJRK-NSHDSACASA-N 1 2 351.384 2.217 20 5 FEBDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000123577848 543770279 /nfs/dbraw/zinc/77/02/79/543770279.db2.gz FACPPIXDVYSJRK-NSHDSACASA-N 1 2 351.384 2.217 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)Cc1c[nH]c3ccc([N+](=O)[O-])cc13)C2 ZINC000124520063 543826825 /nfs/dbraw/zinc/82/68/25/543826825.db2.gz XLTBSLACXTZAKM-CYBMUJFWSA-N 1 2 353.382 2.255 20 5 FEBDLO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000125771919 543900645 /nfs/dbraw/zinc/90/06/45/543900645.db2.gz YPUTXXBVWXKJHO-ABAIWWIYSA-N 1 2 359.342 2.423 20 5 FEBDLO Cc1ccc(C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000129287966 544103242 /nfs/dbraw/zinc/10/32/42/544103242.db2.gz RTZHQKDMKYMCJS-UHFFFAOYSA-N 1 2 360.458 2.033 20 5 FEBDLO Cc1ccc(C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000129287966 544103244 /nfs/dbraw/zinc/10/32/44/544103244.db2.gz RTZHQKDMKYMCJS-UHFFFAOYSA-N 1 2 360.458 2.033 20 5 FEBDLO Cc1nc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000133905939 544287390 /nfs/dbraw/zinc/28/73/90/544287390.db2.gz QSMLTDVGTUBOSJ-INIZCTEOSA-N 1 2 356.382 2.138 20 5 FEBDLO Cc1nc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000133905939 544287393 /nfs/dbraw/zinc/28/73/93/544287393.db2.gz QSMLTDVGTUBOSJ-INIZCTEOSA-N 1 2 356.382 2.138 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCCn1cc[nH+]c1 ZINC000134537908 544311844 /nfs/dbraw/zinc/31/18/44/544311844.db2.gz GIVYJUGDCCTZBN-UHFFFAOYSA-N 1 2 352.416 2.065 20 5 FEBDLO Cc1cc(C(=O)N2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)c(C)o1 ZINC000137003742 544383057 /nfs/dbraw/zinc/38/30/57/544383057.db2.gz PYTYMQFAUXMJCO-SFHVURJKSA-N 1 2 373.409 2.296 20 5 FEBDLO Cc1[nH+]ccn1CCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146897008 544442100 /nfs/dbraw/zinc/44/21/00/544442100.db2.gz PWBZPPSHLJQTNB-UHFFFAOYSA-N 1 2 358.807 2.122 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)c1 ZINC000142137618 544416235 /nfs/dbraw/zinc/41/62/35/544416235.db2.gz GFWWFMYMNOUGFU-UHFFFAOYSA-N 1 2 353.338 2.114 20 5 FEBDLO C[C@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000151256051 544521680 /nfs/dbraw/zinc/52/16/80/544521680.db2.gz JZQBPXJWOMDHQD-AAEUAGOBSA-N 1 2 368.390 2.202 20 5 FEBDLO C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000184652396 327877357 /nfs/dbraw/zinc/87/73/57/327877357.db2.gz HPSJOWZWMQOFQC-RYUDHWBXSA-N 1 2 370.837 2.157 20 5 FEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000185021100 327895347 /nfs/dbraw/zinc/89/53/47/327895347.db2.gz PWRMLCXAPCNWBC-MRXNPFEDSA-N 1 2 363.458 2.391 20 5 FEBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@H](O)COCc3cccs3)C2)cc1 ZINC000189462216 328149832 /nfs/dbraw/zinc/14/98/32/328149832.db2.gz FTFVYGOCKUTGOE-AWEZNQCLSA-N 1 2 364.423 2.297 20 5 FEBDLO CCO[C@H]1C[C@@]([NH2+]CCc2ccc([N+](=O)[O-])cc2)(C(=O)OC)C1(C)C ZINC000189837985 328170872 /nfs/dbraw/zinc/17/08/72/328170872.db2.gz FSVDIZXTKHTKTN-MAUKXSAKSA-N 1 2 350.415 2.474 20 5 FEBDLO COc1ccnc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1OC ZINC000190308093 328199103 /nfs/dbraw/zinc/19/91/03/328199103.db2.gz NNJHKUOUIIAYNK-UHFFFAOYSA-N 1 2 358.398 2.329 20 5 FEBDLO COc1cc[nH+]c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1OC ZINC000190308093 328199104 /nfs/dbraw/zinc/19/91/04/328199104.db2.gz NNJHKUOUIIAYNK-UHFFFAOYSA-N 1 2 358.398 2.329 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)n1 ZINC000191626520 328274735 /nfs/dbraw/zinc/27/47/35/328274735.db2.gz KIYPSKWDJIQBSH-UHFFFAOYSA-N 1 2 373.413 2.204 20 5 FEBDLO Cn1c2ccccc2[nH+]c1Cn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1 ZINC000195197100 328461475 /nfs/dbraw/zinc/46/14/75/328461475.db2.gz ORMCFOAMJYMZPA-UHFFFAOYSA-N 1 2 351.322 2.347 20 5 FEBDLO CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000031814836 324472142 /nfs/dbraw/zinc/47/21/42/324472142.db2.gz KLGPMBAPLCSNGC-AWEZNQCLSA-N 1 2 372.381 2.196 20 5 FEBDLO O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000086171096 325262448 /nfs/dbraw/zinc/26/24/48/325262448.db2.gz CZJPCIMJXXRMOW-UHFFFAOYSA-N 1 2 370.409 2.478 20 5 FEBDLO Cc1cc(C)c(NC(=O)C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)c(C)c1 ZINC000090519418 325362015 /nfs/dbraw/zinc/36/20/15/325362015.db2.gz FGQDOBUWUVIBKH-UHFFFAOYSA-N 1 2 372.425 2.252 20 5 FEBDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)c(C)c1 ZINC000090519418 325362017 /nfs/dbraw/zinc/36/20/17/325362017.db2.gz FGQDOBUWUVIBKH-UHFFFAOYSA-N 1 2 372.425 2.252 20 5 FEBDLO COCCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000116886953 326040097 /nfs/dbraw/zinc/04/00/97/326040097.db2.gz UVVURVPGRWKCDF-ZDUSSCGKSA-N 1 2 351.403 2.049 20 5 FEBDLO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000119277179 326144365 /nfs/dbraw/zinc/14/43/65/326144365.db2.gz NLNLARLWPLKNPS-UHFFFAOYSA-N 1 2 359.357 2.398 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000119834653 326203619 /nfs/dbraw/zinc/20/36/19/326203619.db2.gz FASUCFFDPKAMAR-GOSISDBHSA-N 1 2 373.384 2.225 20 5 FEBDLO COc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000121406619 326336543 /nfs/dbraw/zinc/33/65/43/326336543.db2.gz UCGKKWJVTOROQF-GFCCVEGCSA-N 1 2 366.399 2.242 20 5 FEBDLO COCCCNC(=O)C[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000121440356 326338793 /nfs/dbraw/zinc/33/87/93/326338793.db2.gz QQKXGNXVUQKWAW-UHFFFAOYSA-N 1 2 361.398 2.439 20 5 FEBDLO COCCCNC(=O)C[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000121440356 326338795 /nfs/dbraw/zinc/33/87/95/326338795.db2.gz QQKXGNXVUQKWAW-UHFFFAOYSA-N 1 2 361.398 2.439 20 5 FEBDLO Cc1ccc(CN2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000127958189 326515488 /nfs/dbraw/zinc/51/54/88/326515488.db2.gz HLJISJNHTJVRDV-QGZVFWFLSA-N 1 2 374.485 2.422 20 5 FEBDLO Cc1nc(CN2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)oc1C ZINC000154986268 326774302 /nfs/dbraw/zinc/77/43/02/326774302.db2.gz IMFIJBKRBLIQQB-UHFFFAOYSA-N 1 2 360.414 2.396 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1[nH+]ccn1C ZINC000161947851 327013133 /nfs/dbraw/zinc/01/31/33/327013133.db2.gz WDGPOAMCRFHAHO-JTQLQIEISA-N 1 2 351.794 2.441 20 5 FEBDLO C[N@H+](CC(=O)N1CCOCC1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000162348102 327023427 /nfs/dbraw/zinc/02/34/27/327023427.db2.gz KNZTZNZNKTWUIL-UHFFFAOYSA-N 1 2 359.382 2.145 20 5 FEBDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000162348102 327023428 /nfs/dbraw/zinc/02/34/28/327023428.db2.gz KNZTZNZNKTWUIL-UHFFFAOYSA-N 1 2 359.382 2.145 20 5 FEBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000164371868 327069215 /nfs/dbraw/zinc/06/92/15/327069215.db2.gz KXLWKLWEVPLEEP-OAHLLOKOSA-N 1 2 364.427 2.417 20 5 FEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000173464842 327259102 /nfs/dbraw/zinc/25/91/02/327259102.db2.gz CWSOHPXAHSGZHE-UHFFFAOYSA-N 1 2 360.439 2.328 20 5 FEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000173464842 327259103 /nfs/dbraw/zinc/25/91/03/327259103.db2.gz CWSOHPXAHSGZHE-UHFFFAOYSA-N 1 2 360.439 2.328 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174883642 327357817 /nfs/dbraw/zinc/35/78/17/327357817.db2.gz KPZKFQSLRLCJPQ-SFHVURJKSA-N 1 2 362.474 2.205 20 5 FEBDLO CC[C@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000176709724 327471189 /nfs/dbraw/zinc/47/11/89/327471189.db2.gz VBNILZFRLIUYMF-IRXDYDNUSA-N 1 2 362.430 2.162 20 5 FEBDLO CC[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000176709756 327471292 /nfs/dbraw/zinc/47/12/92/327471292.db2.gz VBNILZFRLIUYMF-SJORKVTESA-N 1 2 362.430 2.162 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000264341941 329012352 /nfs/dbraw/zinc/01/23/52/329012352.db2.gz YLPFOIVHFBLARX-NWDGAFQWSA-N 1 2 353.444 2.156 20 5 FEBDLO COc1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc([N+](=O)[O-])c1OC ZINC000265966104 329177342 /nfs/dbraw/zinc/17/73/42/329177342.db2.gz SJZRTLZWOBHGAO-UHFFFAOYSA-N 1 2 360.370 2.355 20 5 FEBDLO CCOC(=O)C1CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000270979913 329651374 /nfs/dbraw/zinc/65/13/74/329651374.db2.gz CMLMGDWQNKRCLO-UHFFFAOYSA-N 1 2 352.387 2.387 20 5 FEBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000276060760 330115547 /nfs/dbraw/zinc/11/55/47/330115547.db2.gz AAQCRCFQNFHQPQ-IUODEOHRSA-N 1 2 364.427 2.282 20 5 FEBDLO CCOC(CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)OCC ZINC000276300814 330138394 /nfs/dbraw/zinc/13/83/94/330138394.db2.gz YEUQGOSLJPDLCO-UHFFFAOYSA-N 1 2 362.386 2.300 20 5 FEBDLO CC(C)[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1[nH]cc[nH+]1 ZINC000276439518 330151926 /nfs/dbraw/zinc/15/19/26/330151926.db2.gz AMGVXJQQBWFWMD-CQSZACIVSA-N 1 2 355.358 2.026 20 5 FEBDLO 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561489411 /nfs/dbraw/zinc/48/94/11/561489411.db2.gz ZFXOTEKSKSQVHJ-INIZCTEOSA-N 1 2 361.373 2.065 20 5 FEBDLO COc1cccc([C@@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000280706322 551023576 /nfs/dbraw/zinc/02/35/76/551023576.db2.gz GCLPAQLKLSTZLC-OAHLLOKOSA-N 1 2 359.382 2.342 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c(F)c1 ZINC000281984691 551165807 /nfs/dbraw/zinc/16/58/07/551165807.db2.gz CDPKTHIAUCZVLC-UHFFFAOYSA-N 1 2 371.434 2.124 20 5 FEBDLO CCc1cc(N[C@H]2CCC[C@H]2C(=O)NC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000497515063 561502790 /nfs/dbraw/zinc/50/27/90/561502790.db2.gz LAKJMQJHYMXFDX-CVEARBPZSA-N 1 2 369.425 2.363 20 5 FEBDLO Cc1ccc(NC(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000282948009 551288625 /nfs/dbraw/zinc/28/86/25/551288625.db2.gz HTXZZMDPIIQQMD-UHFFFAOYSA-N 1 2 356.382 2.246 20 5 FEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C[C@@H]1C ZINC000497963211 561512486 /nfs/dbraw/zinc/51/24/86/561512486.db2.gz ATPDZARMXIWDRO-STQMWFEESA-N 1 2 355.460 2.315 20 5 FEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C[C@@H]1C ZINC000497963211 561512487 /nfs/dbraw/zinc/51/24/87/561512487.db2.gz ATPDZARMXIWDRO-STQMWFEESA-N 1 2 355.460 2.315 20 5 FEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000497993697 561513453 /nfs/dbraw/zinc/51/34/53/561513453.db2.gz PGXZSXFRQJXFGW-KGLIPLIRSA-N 1 2 355.460 2.315 20 5 FEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000497993697 561513454 /nfs/dbraw/zinc/51/34/54/561513454.db2.gz PGXZSXFRQJXFGW-KGLIPLIRSA-N 1 2 355.460 2.315 20 5 FEBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C[C@H]21 ZINC000284530573 551570889 /nfs/dbraw/zinc/57/08/89/551570889.db2.gz PAPDLDLSZHUIDK-SJORKVTESA-N 1 2 361.442 2.437 20 5 FEBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C[C@H]21 ZINC000284530573 551570892 /nfs/dbraw/zinc/57/08/92/551570892.db2.gz PAPDLDLSZHUIDK-SJORKVTESA-N 1 2 361.442 2.437 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH2+][C@]2(CO)CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC000284986454 551683674 /nfs/dbraw/zinc/68/36/74/551683674.db2.gz YGKQYUMIVCVLAS-KRWDZBQOSA-N 1 2 359.338 2.263 20 5 FEBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286126577 551851679 /nfs/dbraw/zinc/85/16/79/551851679.db2.gz OHTPKWDPMIKGPR-UHFFFAOYSA-N 1 2 358.402 2.092 20 5 FEBDLO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000499514045 561552698 /nfs/dbraw/zinc/55/26/98/561552698.db2.gz YUSPJVNHCSJEJS-UHFFFAOYSA-N 1 2 358.354 2.053 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000289963583 552406494 /nfs/dbraw/zinc/40/64/94/552406494.db2.gz WWTJPWRCQHTCDP-RHSMWYFYSA-N 1 2 363.414 2.431 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000289963583 552406495 /nfs/dbraw/zinc/40/64/95/552406495.db2.gz WWTJPWRCQHTCDP-RHSMWYFYSA-N 1 2 363.414 2.431 20 5 FEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1ncc(Br)cc1[N+](=O)[O-] ZINC000291164228 552595023 /nfs/dbraw/zinc/59/50/23/552595023.db2.gz QGDDNDYTZFKXPD-ZYHUDNBSSA-N 1 2 371.235 2.052 20 5 FEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000291475625 552628402 /nfs/dbraw/zinc/62/84/02/552628402.db2.gz PNYWXJDZSXYGDH-IUODEOHRSA-N 1 2 359.382 2.276 20 5 FEBDLO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000294678452 552925992 /nfs/dbraw/zinc/92/59/92/552925992.db2.gz SLDJDROWPLSLBC-UHFFFAOYSA-N 1 2 354.288 2.255 20 5 FEBDLO O=c1cc2c(n[nH]1)CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000294678452 552925993 /nfs/dbraw/zinc/92/59/93/552925993.db2.gz SLDJDROWPLSLBC-UHFFFAOYSA-N 1 2 354.288 2.255 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000295258017 552977347 /nfs/dbraw/zinc/97/73/47/552977347.db2.gz LAZWBPWTEJWCFR-CQSZACIVSA-N 1 2 364.427 2.409 20 5 FEBDLO Cc1cc(Cl)c(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000295304391 552984754 /nfs/dbraw/zinc/98/47/54/552984754.db2.gz RIZKZZUJHSWOTP-NEPJUHHUSA-N 1 2 355.822 2.396 20 5 FEBDLO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000295607266 553032505 /nfs/dbraw/zinc/03/25/05/553032505.db2.gz NNGZKVMAMWSRJU-YMXBGEKHSA-N 1 2 368.455 2.432 20 5 FEBDLO COC(=O)c1cc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc([N+](=O)[O-])c1 ZINC000295917590 553075816 /nfs/dbraw/zinc/07/58/16/553075816.db2.gz OMVXUKZYEFHXQG-CQSZACIVSA-N 1 2 372.381 2.338 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000299311064 553546014 /nfs/dbraw/zinc/54/60/14/553546014.db2.gz WESGHMSPGHCAGA-UHFFFAOYSA-N 1 2 372.429 2.047 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C3CCCC3)C2)s1 ZINC000301938990 553693032 /nfs/dbraw/zinc/69/30/32/553693032.db2.gz SNZZPLFOJHXPTC-SNVBAGLBSA-N 1 2 359.473 2.489 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C3CCCC3)C2)s1 ZINC000301938990 553693033 /nfs/dbraw/zinc/69/30/33/553693033.db2.gz SNZZPLFOJHXPTC-SNVBAGLBSA-N 1 2 359.473 2.489 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000302087291 553703468 /nfs/dbraw/zinc/70/34/68/553703468.db2.gz KVBFWRVGOJMAHG-UHFFFAOYSA-N 1 2 371.393 2.409 20 5 FEBDLO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCc1ccccc1-n1cc[nH+]c1 ZINC000302658964 553724554 /nfs/dbraw/zinc/72/45/54/553724554.db2.gz LISLUWBDDBGVMX-UHFFFAOYSA-N 1 2 373.394 2.040 20 5 FEBDLO Cc1cc(N2CC[NH+](CCCO)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302716008 553728019 /nfs/dbraw/zinc/72/80/19/553728019.db2.gz YDOQRCZFLROCMS-UHFFFAOYSA-N 1 2 358.236 2.170 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cc(N4CCCC4)[nH+]cn3)C2)nc1 ZINC000302819975 553734808 /nfs/dbraw/zinc/73/48/08/553734808.db2.gz CUTYXDJMFJNRTP-ZDUSSCGKSA-N 1 2 355.402 2.071 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cc(N4CCCC4)nc[nH+]3)C2)nc1 ZINC000302819975 553734811 /nfs/dbraw/zinc/73/48/11/553734811.db2.gz CUTYXDJMFJNRTP-ZDUSSCGKSA-N 1 2 355.402 2.071 20 5 FEBDLO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000331232366 554233996 /nfs/dbraw/zinc/23/39/96/554233996.db2.gz RDBFRCFQRWGLPE-NSHDSACASA-N 1 2 361.851 2.399 20 5 FEBDLO CC(C)[N@H+]1CCC[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000331232366 554233997 /nfs/dbraw/zinc/23/39/97/554233997.db2.gz RDBFRCFQRWGLPE-NSHDSACASA-N 1 2 361.851 2.399 20 5 FEBDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000511300189 561864441 /nfs/dbraw/zinc/86/44/41/561864441.db2.gz KCKRFYKDZGUIDA-ZDUSSCGKSA-N 1 2 370.818 2.411 20 5 FEBDLO CCN1C[C@@H](c2noc(-c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)CC1=O ZINC000351439575 554855279 /nfs/dbraw/zinc/85/52/79/554855279.db2.gz PRLWTCGLTPICJH-LBPRGKRZSA-N 1 2 368.353 2.166 20 5 FEBDLO CNC(=O)c1ccc(N[C@H]2CCCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000361799104 554934933 /nfs/dbraw/zinc/93/49/33/554934933.db2.gz OZDCNMGMBFFAIC-AWEZNQCLSA-N 1 2 355.398 2.430 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1C ZINC000364725790 555386765 /nfs/dbraw/zinc/38/67/65/555386765.db2.gz VEDNEOSDYFNOGJ-CYBMUJFWSA-N 1 2 350.400 2.461 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000365251823 555523371 /nfs/dbraw/zinc/52/33/71/555523371.db2.gz YYRQDAYMPVAGSV-CYBMUJFWSA-N 1 2 358.398 2.432 20 5 FEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCOC[C@H]1CC(F)F ZINC000513369543 561935678 /nfs/dbraw/zinc/93/56/78/561935678.db2.gz DBBRJQXRDRXIBH-GFCCVEGCSA-N 1 2 371.340 2.249 20 5 FEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCOC[C@H]1CC(F)F ZINC000513369543 561935679 /nfs/dbraw/zinc/93/56/79/561935679.db2.gz DBBRJQXRDRXIBH-GFCCVEGCSA-N 1 2 371.340 2.249 20 5 FEBDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000366089402 555748063 /nfs/dbraw/zinc/74/80/63/555748063.db2.gz DCBFOHPSLWRQPY-GOSISDBHSA-N 1 2 369.425 2.363 20 5 FEBDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000366089402 555748066 /nfs/dbraw/zinc/74/80/66/555748066.db2.gz DCBFOHPSLWRQPY-GOSISDBHSA-N 1 2 369.425 2.363 20 5 FEBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000366093830 555749444 /nfs/dbraw/zinc/74/94/44/555749444.db2.gz HGJUOQJNYSQFHM-KRWDZBQOSA-N 1 2 357.414 2.437 20 5 FEBDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000366093830 555749448 /nfs/dbraw/zinc/74/94/48/555749448.db2.gz HGJUOQJNYSQFHM-KRWDZBQOSA-N 1 2 357.414 2.437 20 5 FEBDLO O=C(NCC1CCOCC1)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000368488404 556325116 /nfs/dbraw/zinc/32/51/16/556325116.db2.gz ODCQWINMRGJQEF-KRWDZBQOSA-N 1 2 365.405 2.241 20 5 FEBDLO O=C(NCC1CCOCC1)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000368488404 556325113 /nfs/dbraw/zinc/32/51/13/556325113.db2.gz ODCQWINMRGJQEF-KRWDZBQOSA-N 1 2 365.405 2.241 20 5 FEBDLO O=C(N[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1)C1CCC1 ZINC000369067392 556495672 /nfs/dbraw/zinc/49/56/72/556495672.db2.gz UIKSVJFCKUSYEK-AWEZNQCLSA-N 1 2 371.397 2.135 20 5 FEBDLO O=C(N[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1)C1CCC1 ZINC000369067392 556495673 /nfs/dbraw/zinc/49/56/73/556495673.db2.gz UIKSVJFCKUSYEK-AWEZNQCLSA-N 1 2 371.397 2.135 20 5 FEBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000369365771 556581660 /nfs/dbraw/zinc/58/16/60/556581660.db2.gz GKHKZTPANLUEHC-UHFFFAOYSA-N 1 2 357.414 2.222 20 5 FEBDLO Cc1cc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)nc[nH+]1 ZINC000370268389 556825479 /nfs/dbraw/zinc/82/54/79/556825479.db2.gz JSQFJCARHCLIAZ-UHFFFAOYSA-N 1 2 355.398 2.400 20 5 FEBDLO O=C(NCC1([NH+]2CCOCC2)CCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000370471548 556883041 /nfs/dbraw/zinc/88/30/41/556883041.db2.gz KUAACHBIUUBBEN-UHFFFAOYSA-N 1 2 351.378 2.109 20 5 FEBDLO Cc1nc(N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC000517216598 562080033 /nfs/dbraw/zinc/08/00/33/562080033.db2.gz KIYFMFBZDOBIID-WMLDXEAASA-N 1 2 357.414 2.395 20 5 FEBDLO Cc1nc(N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC000517216598 562080035 /nfs/dbraw/zinc/08/00/35/562080035.db2.gz KIYFMFBZDOBIID-WMLDXEAASA-N 1 2 357.414 2.395 20 5 FEBDLO CN(C(=O)c1cc([N+](=O)[O-])ccc1O)C1CCN(c2cc[nH+]cc2)CC1 ZINC000371612725 557239456 /nfs/dbraw/zinc/23/94/56/557239456.db2.gz WBIZTMSVCZFQTD-UHFFFAOYSA-N 1 2 356.382 2.436 20 5 FEBDLO Cc1[nH+]c2n(c1CN1CCN(c3ccc([N+](=O)[O-])c(C)n3)CC1)CCCC2 ZINC000371618532 557241475 /nfs/dbraw/zinc/24/14/75/557241475.db2.gz IWRCJVPJTWLNLA-UHFFFAOYSA-N 1 2 370.457 2.462 20 5 FEBDLO Cc1cn2c([nH+]1)CN(c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])CC2 ZINC000371703195 557268707 /nfs/dbraw/zinc/26/87/07/557268707.db2.gz JOIHNJDDZXMSCN-UHFFFAOYSA-N 1 2 372.353 2.116 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373049009 557616776 /nfs/dbraw/zinc/61/67/76/557616776.db2.gz XVPDIBGEHTZPRJ-ZDUSSCGKSA-N 1 2 373.413 2.426 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373312677 557670670 /nfs/dbraw/zinc/67/06/70/557670670.db2.gz DDNJTVSCSCYDBG-UHFFFAOYSA-N 1 2 368.397 2.313 20 5 FEBDLO Cc1[nH+]c2ccc(C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2n1C ZINC000373521926 557710577 /nfs/dbraw/zinc/71/05/77/557710577.db2.gz PVQJXSXYFKIVNI-UHFFFAOYSA-N 1 2 368.397 2.464 20 5 FEBDLO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000374316466 557864525 /nfs/dbraw/zinc/86/45/25/557864525.db2.gz PCJFGNWYTBBWIW-MRXNPFEDSA-N 1 2 369.356 2.397 20 5 FEBDLO C[C@@H](C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000374383998 557875786 /nfs/dbraw/zinc/87/57/86/557875786.db2.gz AJKSYYVBKMIVBA-SJKOYZFVSA-N 1 2 358.373 2.406 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2Cc2ccc([N+](=O)[O-])cc2OC)O1 ZINC000374574353 557901556 /nfs/dbraw/zinc/90/15/56/557901556.db2.gz ZTAQHUKLMNTDED-LCSDZXHASA-N 1 2 364.398 2.287 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2Cc2ccc([N+](=O)[O-])cc2OC)O1 ZINC000374574353 557901557 /nfs/dbraw/zinc/90/15/57/557901557.db2.gz ZTAQHUKLMNTDED-LCSDZXHASA-N 1 2 364.398 2.287 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000374755642 557926218 /nfs/dbraw/zinc/92/62/18/557926218.db2.gz SXZQTCFOWPJTCC-NSHDSACASA-N 1 2 356.791 2.497 20 5 FEBDLO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000374873828 557944490 /nfs/dbraw/zinc/94/44/90/557944490.db2.gz IWDWSGLPERXCDM-HNNXBMFYSA-N 1 2 363.805 2.008 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)c1 ZINC000375284361 558004185 /nfs/dbraw/zinc/00/41/85/558004185.db2.gz NYTASQWMVIHXAU-HOTGVXAUSA-N 1 2 370.331 2.001 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)c1 ZINC000375284361 558004186 /nfs/dbraw/zinc/00/41/86/558004186.db2.gz NYTASQWMVIHXAU-HOTGVXAUSA-N 1 2 370.331 2.001 20 5 FEBDLO O=C(C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000375438888 558027179 /nfs/dbraw/zinc/02/71/79/558027179.db2.gz QGIBWCWATXLSLI-LBPRGKRZSA-N 1 2 357.370 2.283 20 5 FEBDLO O=C(C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000375438888 558027181 /nfs/dbraw/zinc/02/71/81/558027181.db2.gz QGIBWCWATXLSLI-LBPRGKRZSA-N 1 2 357.370 2.283 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCCOC2 ZINC000375591775 558053882 /nfs/dbraw/zinc/05/38/82/558053882.db2.gz OCHSOSRPEHKQLB-GOSISDBHSA-N 1 2 356.382 2.423 20 5 FEBDLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000375633505 558059892 /nfs/dbraw/zinc/05/98/92/558059892.db2.gz ZNBQMEUPVUCVBQ-ZDUSSCGKSA-N 1 2 361.851 2.104 20 5 FEBDLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000375633505 558059894 /nfs/dbraw/zinc/05/98/94/558059894.db2.gz ZNBQMEUPVUCVBQ-ZDUSSCGKSA-N 1 2 361.851 2.104 20 5 FEBDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000376149507 558133716 /nfs/dbraw/zinc/13/37/16/558133716.db2.gz LZGRNAYRSPQEOV-KRWDZBQOSA-N 1 2 360.414 2.397 20 5 FEBDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000376149507 558133718 /nfs/dbraw/zinc/13/37/18/558133718.db2.gz LZGRNAYRSPQEOV-KRWDZBQOSA-N 1 2 360.414 2.397 20 5 FEBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3ccc(N)cc3[N+](=O)[O-])CC2)no1 ZINC000376394045 558167608 /nfs/dbraw/zinc/16/76/08/558167608.db2.gz GTPIMSOYLGRETG-CQSZACIVSA-N 1 2 360.418 2.359 20 5 FEBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3ccc(N)cc3[N+](=O)[O-])CC2)no1 ZINC000376394045 558167610 /nfs/dbraw/zinc/16/76/10/558167610.db2.gz GTPIMSOYLGRETG-CQSZACIVSA-N 1 2 360.418 2.359 20 5 FEBDLO Cc1c(CN(C)c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])cnn1C ZINC000521775205 562183375 /nfs/dbraw/zinc/18/33/75/562183375.db2.gz VHGMQGPXPOFIDG-UHFFFAOYSA-N 1 2 359.430 2.105 20 5 FEBDLO Cc1ccc(NCCCNC(=O)[C@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC000376937692 558241708 /nfs/dbraw/zinc/24/17/08/558241708.db2.gz QCQSIVATDUXJHP-AWEZNQCLSA-N 1 2 357.414 2.281 20 5 FEBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000378198355 558500541 /nfs/dbraw/zinc/50/05/41/558500541.db2.gz FVDRVVAAIZUNKL-CQSZACIVSA-N 1 2 369.425 2.208 20 5 FEBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000378198355 558500542 /nfs/dbraw/zinc/50/05/42/558500542.db2.gz FVDRVVAAIZUNKL-CQSZACIVSA-N 1 2 369.425 2.208 20 5 FEBDLO COC1(CO)CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000401770005 558630292 /nfs/dbraw/zinc/63/02/92/558630292.db2.gz NSGMLPMBMSUJLP-UHFFFAOYSA-N 1 2 359.220 2.331 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000408085009 558644997 /nfs/dbraw/zinc/64/49/97/558644997.db2.gz VWDNRGZSZVLSDJ-QWRGUYRKSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000408085009 558645000 /nfs/dbraw/zinc/64/50/00/558645000.db2.gz VWDNRGZSZVLSDJ-QWRGUYRKSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000408182413 558654199 /nfs/dbraw/zinc/65/41/99/558654199.db2.gz KBSYJJWUMNYPQS-OCCSQVGLSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000408182413 558654200 /nfs/dbraw/zinc/65/42/00/558654200.db2.gz KBSYJJWUMNYPQS-OCCSQVGLSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000408183789 558654755 /nfs/dbraw/zinc/65/47/55/558654755.db2.gz UHMQUTQYOGVGDK-UKRRQHHQSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000408183789 558654756 /nfs/dbraw/zinc/65/47/56/558654756.db2.gz UHMQUTQYOGVGDK-UKRRQHHQSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000408340686 558668603 /nfs/dbraw/zinc/66/86/03/558668603.db2.gz PCOPYNVRTUZWAU-CABCVRRESA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000408340686 558668605 /nfs/dbraw/zinc/66/86/05/558668605.db2.gz PCOPYNVRTUZWAU-CABCVRRESA-N 1 2 367.471 2.459 20 5 FEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000525409830 562247579 /nfs/dbraw/zinc/24/75/79/562247579.db2.gz QSGVEHZTZFRXLB-CYBMUJFWSA-N 1 2 356.444 2.249 20 5 FEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000525409830 562247580 /nfs/dbraw/zinc/24/75/80/562247580.db2.gz QSGVEHZTZFRXLB-CYBMUJFWSA-N 1 2 356.444 2.249 20 5 FEBDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411425374 558892812 /nfs/dbraw/zinc/89/28/12/558892812.db2.gz MJIMCJLZSMDOJP-MRXNPFEDSA-N 1 2 373.413 2.337 20 5 FEBDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411425374 558892815 /nfs/dbraw/zinc/89/28/15/558892815.db2.gz MJIMCJLZSMDOJP-MRXNPFEDSA-N 1 2 373.413 2.337 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H]2CCCn3cc[nH+]c32)c1F ZINC000412202714 559019511 /nfs/dbraw/zinc/01/95/11/559019511.db2.gz LDXGXJBRJXNXDP-LLVKDONJSA-N 1 2 362.361 2.175 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)CCCn2cc[nH+]c2)c1F ZINC000412203563 559019840 /nfs/dbraw/zinc/01/98/40/559019840.db2.gz KDBVLQCWQGNFBW-UHFFFAOYSA-N 1 2 350.350 2.030 20 5 FEBDLO COC(=O)C(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413254294 559092282 /nfs/dbraw/zinc/09/22/82/559092282.db2.gz XYVMQXCCDWAURO-UHFFFAOYSA-N 1 2 358.398 2.217 20 5 FEBDLO CN(C)c1[nH+]cc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C ZINC000425339242 559697692 /nfs/dbraw/zinc/69/76/92/559697692.db2.gz RIYLKOIIGPAYHA-UHFFFAOYSA-N 1 2 359.430 2.438 20 5 FEBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000427990384 559767080 /nfs/dbraw/zinc/76/70/80/559767080.db2.gz CPVQPBQUBKBZFD-SECBINFHSA-N 1 2 352.297 2.138 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000430220861 559815578 /nfs/dbraw/zinc/81/55/78/559815578.db2.gz SHBDSHUSXSNNOD-LBPRGKRZSA-N 1 2 354.370 2.430 20 5 FEBDLO CC(C)c1n[nH]c(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000433672654 559885995 /nfs/dbraw/zinc/88/59/95/559885995.db2.gz CFHRMWSQLVXHQM-UHFFFAOYSA-N 1 2 358.402 2.367 20 5 FEBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1O ZINC000436928006 559956693 /nfs/dbraw/zinc/95/66/93/559956693.db2.gz AZGBOEXYVYXCOO-UHFFFAOYSA-N 1 2 352.350 2.475 20 5 FEBDLO CCOCC[NH+]1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000446049907 560138664 /nfs/dbraw/zinc/13/86/64/560138664.db2.gz DRGVKWVFOGETEF-UHFFFAOYSA-N 1 2 355.822 2.351 20 5 FEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000447658654 560166123 /nfs/dbraw/zinc/16/61/23/560166123.db2.gz IOWFXQGXASBYBR-DOTOQJQBSA-N 1 2 363.458 2.343 20 5 FEBDLO COC(=O)[C@H](C)CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000448873081 560203980 /nfs/dbraw/zinc/20/39/80/560203980.db2.gz JUWSIRNATLUGKG-GFCCVEGCSA-N 1 2 372.381 2.194 20 5 FEBDLO O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450136134 560251828 /nfs/dbraw/zinc/25/18/28/560251828.db2.gz ZPYVXAWKCYNRNV-VBQJREDUSA-N 1 2 356.382 2.468 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H]2COCC[C@H]21 ZINC000450142138 560251980 /nfs/dbraw/zinc/25/19/80/560251980.db2.gz BCCQYLOUKQUSGH-HUUCEWRRSA-N 1 2 356.382 2.422 20 5 FEBDLO COc1cc(-c2noc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)n2)ncn1 ZINC000450678079 560269793 /nfs/dbraw/zinc/26/97/93/560269793.db2.gz SIJFRUIYFKKIEH-JTQLQIEISA-N 1 2 356.342 2.294 20 5 FEBDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC12COC2 ZINC000451140847 560289410 /nfs/dbraw/zinc/28/94/10/560289410.db2.gz UVJJIOYFLLIIRF-CYBMUJFWSA-N 1 2 354.790 2.260 20 5 FEBDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC12COC2 ZINC000451140847 560289411 /nfs/dbraw/zinc/28/94/11/560289411.db2.gz UVJJIOYFLLIIRF-CYBMUJFWSA-N 1 2 354.790 2.260 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H]([C@@H](O)C(F)(F)F)C3)n2)cc1 ZINC000451882193 560334304 /nfs/dbraw/zinc/33/43/04/560334304.db2.gz CJAWMEBTAHQQRS-ZWNOBZJWSA-N 1 2 372.303 2.390 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H]([C@@H](O)C(F)(F)F)C3)n2)cc1 ZINC000451882193 560334305 /nfs/dbraw/zinc/33/43/05/560334305.db2.gz CJAWMEBTAHQQRS-ZWNOBZJWSA-N 1 2 372.303 2.390 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H]([C@@H](O)C(F)(F)F)C3)n2)c1 ZINC000451904736 560336088 /nfs/dbraw/zinc/33/60/88/560336088.db2.gz KHPRUROOIKTLLO-GXFFZTMASA-N 1 2 372.303 2.390 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H]([C@@H](O)C(F)(F)F)C3)n2)c1 ZINC000451904736 560336089 /nfs/dbraw/zinc/33/60/89/560336089.db2.gz KHPRUROOIKTLLO-GXFFZTMASA-N 1 2 372.303 2.390 20 5 FEBDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000451974520 560341599 /nfs/dbraw/zinc/34/15/99/560341599.db2.gz SLBABMLDVJIPSF-AWEZNQCLSA-N 1 2 355.460 2.316 20 5 FEBDLO C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c2[nH+]ccn21 ZINC000455489891 560484313 /nfs/dbraw/zinc/48/43/13/560484313.db2.gz TYEJPHVHWCMAGP-UONOGXRCSA-N 1 2 370.413 2.329 20 5 FEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456207237 560511113 /nfs/dbraw/zinc/51/11/13/560511113.db2.gz SQRNDZSDTCXJHM-NXHRZFHOSA-N 1 2 361.442 2.143 20 5 FEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456207237 560511114 /nfs/dbraw/zinc/51/11/14/560511114.db2.gz SQRNDZSDTCXJHM-NXHRZFHOSA-N 1 2 361.442 2.143 20 5 FEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](CCOCCOc2ccccc2)CC1 ZINC000459491937 560689489 /nfs/dbraw/zinc/68/94/89/560689489.db2.gz DPTLSRWXNYQMFJ-UHFFFAOYSA-N 1 2 372.425 2.207 20 5 FEBDLO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000459646273 560700001 /nfs/dbraw/zinc/70/00/01/560700001.db2.gz MKVUTJLDYKYMEN-UHFFFAOYSA-N 1 2 367.402 2.322 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459679382 560701937 /nfs/dbraw/zinc/70/19/37/560701937.db2.gz QGVGOKNPTSJGAK-DZGCQCFKSA-N 1 2 361.398 2.043 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459679382 560701938 /nfs/dbraw/zinc/70/19/38/560701938.db2.gz QGVGOKNPTSJGAK-DZGCQCFKSA-N 1 2 361.398 2.043 20 5 FEBDLO NC(=O)c1ccc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000463418254 560813482 /nfs/dbraw/zinc/81/34/82/560813482.db2.gz FWBVJOCXXYXTSF-UHFFFAOYSA-N 1 2 353.378 2.447 20 5 FEBDLO NC(=O)c1ccc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000463418254 560813484 /nfs/dbraw/zinc/81/34/84/560813484.db2.gz FWBVJOCXXYXTSF-UHFFFAOYSA-N 1 2 353.378 2.447 20 5 FEBDLO Cc1sc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000467080610 560903124 /nfs/dbraw/zinc/90/31/24/560903124.db2.gz VGNQKGNCFDYPSO-JTQLQIEISA-N 1 2 356.429 2.256 20 5 FEBDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000470141040 560975210 /nfs/dbraw/zinc/97/52/10/560975210.db2.gz AOYMKFPLABMUIM-AWEZNQCLSA-N 1 2 374.376 2.262 20 5 FEBDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000470141040 560975211 /nfs/dbraw/zinc/97/52/11/560975211.db2.gz AOYMKFPLABMUIM-AWEZNQCLSA-N 1 2 374.376 2.262 20 5 FEBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472723051 561033830 /nfs/dbraw/zinc/03/38/30/561033830.db2.gz FFSKBFZUSLPSMG-UHFFFAOYSA-N 1 2 369.312 2.497 20 5 FEBDLO CC[C@]1(C)COCC[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475097857 561090316 /nfs/dbraw/zinc/09/03/16/561090316.db2.gz RNOQCOINFFDLSS-QGZVFWFLSA-N 1 2 352.387 2.148 20 5 FEBDLO CC[C@]1(C)COCC[N@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475097857 561090317 /nfs/dbraw/zinc/09/03/17/561090317.db2.gz RNOQCOINFFDLSS-QGZVFWFLSA-N 1 2 352.387 2.148 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1CN1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000475755270 561104514 /nfs/dbraw/zinc/10/45/14/561104514.db2.gz MVGKCSQNZZUSLJ-UHFFFAOYSA-N 1 2 355.851 2.361 20 5 FEBDLO C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000530466004 562412370 /nfs/dbraw/zinc/41/23/70/562412370.db2.gz BTYLYXHOQPNGJJ-GWCFXTLKSA-N 1 2 362.411 2.112 20 5 FEBDLO C[C@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000530466004 562412371 /nfs/dbraw/zinc/41/23/71/562412371.db2.gz BTYLYXHOQPNGJJ-GWCFXTLKSA-N 1 2 362.411 2.112 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000534111672 562525756 /nfs/dbraw/zinc/52/57/56/562525756.db2.gz XDXVYYPXGWTYQW-STQMWFEESA-N 1 2 351.403 2.025 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000534111672 562525757 /nfs/dbraw/zinc/52/57/57/562525757.db2.gz XDXVYYPXGWTYQW-STQMWFEESA-N 1 2 351.403 2.025 20 5 FEBDLO Nc1c(C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000534522118 562535879 /nfs/dbraw/zinc/53/58/79/562535879.db2.gz UPALYQLJEHRKDJ-UHFFFAOYSA-N 1 2 364.402 2.336 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(OCCO)CC1 ZINC000535247922 562554000 /nfs/dbraw/zinc/55/40/00/562554000.db2.gz PBJZIEORDBGYDK-LLVKDONJSA-N 1 2 371.821 2.049 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)nn1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000535732705 562565919 /nfs/dbraw/zinc/56/59/19/562565919.db2.gz ULNHDMPMNWVOTK-UHFFFAOYSA-N 1 2 364.365 2.375 20 5 FEBDLO O=C(c1ccc(C[NH+]2CCOCC2)cn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000536835109 562581302 /nfs/dbraw/zinc/58/13/02/562581302.db2.gz UEVFZGBPHUYCRM-UHFFFAOYSA-N 1 2 368.393 2.025 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000541814795 562620339 /nfs/dbraw/zinc/62/03/39/562620339.db2.gz CHGWKYVYNQCKDM-UHFFFAOYSA-N 1 2 352.416 2.119 20 5 FEBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CC(C)(C(N)=O)C2)cc1OC ZINC000569114183 568280187 /nfs/dbraw/zinc/28/01/87/568280187.db2.gz DMEYNTYGKNSVJJ-GFCCVEGCSA-N 1 2 365.430 2.336 20 5 FEBDLO Cc1noc([C@H](C)N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000569738263 568415195 /nfs/dbraw/zinc/41/51/95/568415195.db2.gz ACYYUINVXZIIQR-JTQLQIEISA-N 1 2 356.342 2.305 20 5 FEBDLO CCN(CC)C(=O)C[N@@H+]1CCCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000561141402 674641046 /nfs/dbraw/zinc/64/10/46/674641046.db2.gz CXLPSLSKNDHEDS-UHFFFAOYSA-N 1 2 352.410 2.114 20 5 FEBDLO CCN(CC)C(=O)C[N@H+]1CCCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000561141402 674641050 /nfs/dbraw/zinc/64/10/50/674641050.db2.gz CXLPSLSKNDHEDS-UHFFFAOYSA-N 1 2 352.410 2.114 20 5 FEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCN1CCCC1=O ZINC000112995203 670880072 /nfs/dbraw/zinc/88/00/72/670880072.db2.gz CBSZWTZECHDFAD-LLVKDONJSA-N 1 2 368.821 2.129 20 5 FEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCN1CCCC1=O ZINC000112995203 670880076 /nfs/dbraw/zinc/88/00/76/670880076.db2.gz CBSZWTZECHDFAD-LLVKDONJSA-N 1 2 368.821 2.129 20 5 FEBDLO C[C@H]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)C[C@@H]1n1cc[nH+]c1 ZINC000121521285 671951858 /nfs/dbraw/zinc/95/18/58/671951858.db2.gz PNUKXUBGWHUHNW-JQWIXIFHSA-N 1 2 369.223 2.291 20 5 FEBDLO CCc1ccc(S(=O)(=O)N2CC[NH+]([C@H](C)CC)CC2)cc1[N+](=O)[O-] ZINC000583690948 672117518 /nfs/dbraw/zinc/11/75/18/672117518.db2.gz OXVHFWYUEKRCEQ-CYBMUJFWSA-N 1 2 355.460 2.262 20 5 FEBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000587050805 672440615 /nfs/dbraw/zinc/44/06/15/672440615.db2.gz DOIJEOFCUVCRMV-VIFPVBQESA-N 1 2 352.297 2.138 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000588972932 672497191 /nfs/dbraw/zinc/49/71/91/672497191.db2.gz VADHAQWVVDIORO-LBPRGKRZSA-N 1 2 371.434 2.028 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000588972932 672497193 /nfs/dbraw/zinc/49/71/93/672497193.db2.gz VADHAQWVVDIORO-LBPRGKRZSA-N 1 2 371.434 2.028 20 5 FEBDLO O=C1[C@H]([N@@H+]2CCC[C@@H](OC(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000611577160 676045405 /nfs/dbraw/zinc/04/54/05/676045405.db2.gz GGFUWUDYTSYAID-ZIAGYGMSSA-N 1 2 355.341 2.404 20 5 FEBDLO O=C1[C@H]([N@H+]2CCC[C@@H](OC(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000611577160 676045406 /nfs/dbraw/zinc/04/54/06/676045406.db2.gz GGFUWUDYTSYAID-ZIAGYGMSSA-N 1 2 355.341 2.404 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000595780698 673324727 /nfs/dbraw/zinc/32/47/27/673324727.db2.gz KZGITDMWQKLHDL-OLZOCXBDSA-N 1 2 351.403 2.431 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000595780698 673324729 /nfs/dbraw/zinc/32/47/29/673324729.db2.gz KZGITDMWQKLHDL-OLZOCXBDSA-N 1 2 351.403 2.431 20 5 FEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000598608145 673589523 /nfs/dbraw/zinc/58/95/23/673589523.db2.gz SQWBIVFVBPIGEX-STQMWFEESA-N 1 2 355.460 2.315 20 5 FEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000598608145 673589525 /nfs/dbraw/zinc/58/95/25/673589525.db2.gz SQWBIVFVBPIGEX-STQMWFEESA-N 1 2 355.460 2.315 20 5 FEBDLO CC[NH+](CC)Cc1csc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)n1 ZINC000743874343 673774486 /nfs/dbraw/zinc/77/44/86/673774486.db2.gz NKUVWYJBCAZYQN-UHFFFAOYSA-N 1 2 352.420 2.037 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987770 673914833 /nfs/dbraw/zinc/91/48/33/673914833.db2.gz QQJYBZSWVQYLND-OUJBWJOFSA-N 1 2 361.320 2.024 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987770 673914836 /nfs/dbraw/zinc/91/48/36/673914836.db2.gz QQJYBZSWVQYLND-OUJBWJOFSA-N 1 2 361.320 2.024 20 5 FEBDLO O=C1N[C@H]2CC[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C[C@@H]2CO1 ZINC000823016548 675523213 /nfs/dbraw/zinc/52/32/13/675523213.db2.gz WLVKLUSYNYNPQJ-PWSUYJOCSA-N 1 2 370.203 2.288 20 5 FEBDLO O=C1N[C@H]2CC[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C[C@@H]2CO1 ZINC000823016548 675523214 /nfs/dbraw/zinc/52/32/14/675523214.db2.gz WLVKLUSYNYNPQJ-PWSUYJOCSA-N 1 2 370.203 2.288 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000617231366 676275916 /nfs/dbraw/zinc/27/59/16/676275916.db2.gz HYTSYXQBCZHUAQ-CQSZACIVSA-N 1 2 364.427 2.434 20 5 FEBDLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839524943 680759193 /nfs/dbraw/zinc/75/91/93/680759193.db2.gz LOACHOVYFOFRLU-HONMWMINSA-N 1 2 355.797 2.397 20 5 FEBDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000765030298 680828049 /nfs/dbraw/zinc/82/80/49/680828049.db2.gz OOCJIBQMVGQDOH-CYBMUJFWSA-N 1 2 364.427 2.191 20 5 FEBDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000765030298 680828051 /nfs/dbraw/zinc/82/80/51/680828051.db2.gz OOCJIBQMVGQDOH-CYBMUJFWSA-N 1 2 364.427 2.191 20 5 FEBDLO COc1cc(Cl)ccc1C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000981137595 680217037 /nfs/dbraw/zinc/21/70/37/680217037.db2.gz ZASGNIIBDSJWSV-HUUCEWRRSA-N 1 2 367.833 2.048 20 5 FEBDLO COc1cc(Cl)ccc1C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000981137595 680217041 /nfs/dbraw/zinc/21/70/41/680217041.db2.gz ZASGNIIBDSJWSV-HUUCEWRRSA-N 1 2 367.833 2.048 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CCc2c(F)cccc2Cl)CC1 ZINC000981137957 680217192 /nfs/dbraw/zinc/21/71/92/680217192.db2.gz IATUSHORJUAPDI-CZUORRHYSA-N 1 2 369.824 2.221 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CCc2c(F)cccc2Cl)CC1 ZINC000981137957 680217193 /nfs/dbraw/zinc/21/71/93/680217193.db2.gz IATUSHORJUAPDI-CZUORRHYSA-N 1 2 369.824 2.221 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000768562558 680950556 /nfs/dbraw/zinc/95/05/56/680950556.db2.gz OOADVSNNZLHCSA-GHMZBOCLSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000768562558 680950557 /nfs/dbraw/zinc/95/05/57/680950557.db2.gz OOADVSNNZLHCSA-GHMZBOCLSA-N 1 2 361.851 2.270 20 5 FEBDLO COCC1(O)CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000769450939 680983582 /nfs/dbraw/zinc/98/35/82/680983582.db2.gz DMWZSFAMDHEKGZ-UHFFFAOYSA-N 1 2 359.220 2.331 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000770717847 681025560 /nfs/dbraw/zinc/02/55/60/681025560.db2.gz ZXHRRRHRPQFZOW-GHMZBOCLSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000770717847 681025562 /nfs/dbraw/zinc/02/55/62/681025562.db2.gz ZXHRRRHRPQFZOW-GHMZBOCLSA-N 1 2 361.851 2.270 20 5 FEBDLO CN1C[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2Br)CCC1=O ZINC000846922396 681308880 /nfs/dbraw/zinc/30/88/80/681308880.db2.gz WLICIEQKCAZWEW-NSHDSACASA-N 1 2 356.220 2.410 20 5 FEBDLO CN1C[C@@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2Br)CCC1=O ZINC000846922396 681308885 /nfs/dbraw/zinc/30/88/85/681308885.db2.gz WLICIEQKCAZWEW-NSHDSACASA-N 1 2 356.220 2.410 20 5 FEBDLO CCn1c[nH+]c2c1CCN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000933260027 681381713 /nfs/dbraw/zinc/38/17/13/681381713.db2.gz HJMIFJZHPAVZJF-UHFFFAOYSA-N 1 2 363.805 2.461 20 5 FEBDLO CCn1c[nH+]c2c1CCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000933260884 681381778 /nfs/dbraw/zinc/38/17/78/681381778.db2.gz PSSVUQKUGIPIMO-UHFFFAOYSA-N 1 2 363.805 2.461 20 5 FEBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000874705865 685449944 /nfs/dbraw/zinc/44/99/44/685449944.db2.gz HWYICDSFVAEXOX-CYBMUJFWSA-N 1 2 355.822 2.397 20 5 FEBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000874705865 685449948 /nfs/dbraw/zinc/44/99/48/685449948.db2.gz HWYICDSFVAEXOX-CYBMUJFWSA-N 1 2 355.822 2.397 20 5 FEBDLO CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000934751433 681621234 /nfs/dbraw/zinc/62/12/34/681621234.db2.gz YEIKQHKNABTWTH-QHCPKHFHSA-N 1 2 360.505 2.443 20 5 FEBDLO O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000913385679 685476153 /nfs/dbraw/zinc/47/61/53/685476153.db2.gz HEAREMCVXPXIFF-SNVBAGLBSA-N 1 2 352.753 2.463 20 5 FEBDLO O=[N+]([O-])c1cn(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)nc1-c1ccccn1 ZINC000853503994 682424678 /nfs/dbraw/zinc/42/46/78/682424678.db2.gz XGAOJCWYOWEOTK-DZGCQCFKSA-N 1 2 361.427 2.017 20 5 FEBDLO O=[N+]([O-])c1cn(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)nc1-c1ccccn1 ZINC000853503994 682424681 /nfs/dbraw/zinc/42/46/81/682424681.db2.gz XGAOJCWYOWEOTK-DZGCQCFKSA-N 1 2 361.427 2.017 20 5 FEBDLO COc1ccc(CSCC(=O)N[C@@H]2CCn3c[nH+]cc32)cc1[N+](=O)[O-] ZINC000857989382 682930660 /nfs/dbraw/zinc/93/06/60/682930660.db2.gz QQMDGXJYWHFRSR-GFCCVEGCSA-N 1 2 362.411 2.294 20 5 FEBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000921419369 683463366 /nfs/dbraw/zinc/46/33/66/683463366.db2.gz BCNHQWOMGXGERM-CYBMUJFWSA-N 1 2 370.837 2.158 20 5 FEBDLO C[C@]1(CO)C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000862518883 683596998 /nfs/dbraw/zinc/59/69/98/683596998.db2.gz LFKUBYVOTYEYGL-GASCZTMLSA-N 1 2 373.247 2.170 20 5 FEBDLO C[C@]1(CO)C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000862518883 683597003 /nfs/dbraw/zinc/59/70/03/683597003.db2.gz LFKUBYVOTYEYGL-GASCZTMLSA-N 1 2 373.247 2.170 20 5 FEBDLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000876658716 686238104 /nfs/dbraw/zinc/23/81/04/686238104.db2.gz DFUGRFJRUQENQV-CYBMUJFWSA-N 1 2 353.423 2.160 20 5 FEBDLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000876658716 686238112 /nfs/dbraw/zinc/23/81/12/686238112.db2.gz DFUGRFJRUQENQV-CYBMUJFWSA-N 1 2 353.423 2.160 20 5 FEBDLO Cn1cc(C[NH+]2CCC(O)(c3ccccc3Cl)CC2)c([N+](=O)[O-])n1 ZINC000877478582 686385856 /nfs/dbraw/zinc/38/58/56/686385856.db2.gz OLMVPNSVKQPLPN-UHFFFAOYSA-N 1 2 350.806 2.465 20 5 FEBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000902939943 690822506 /nfs/dbraw/zinc/82/25/06/690822506.db2.gz LLISDMNSHZOMDR-LLVKDONJSA-N 1 2 356.810 2.481 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165011698 721705832 /nfs/dbraw/zinc/70/58/32/721705832.db2.gz WFERPBYBHQRTGA-UHFFFAOYSA-N 1 2 373.461 2.449 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165011698 721705837 /nfs/dbraw/zinc/70/58/37/721705837.db2.gz WFERPBYBHQRTGA-UHFFFAOYSA-N 1 2 373.461 2.449 20 5 FEBDLO C[C@@H](Sc1[nH+]cnc2c1cnn2C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000011677021 539531832 /nfs/dbraw/zinc/53/18/32/539531832.db2.gz HCFQLEGCUMQVNW-SECBINFHSA-N 1 2 358.383 2.391 20 5 FEBDLO C[N@H+](CCOc1ccccc1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000023706382 539719425 /nfs/dbraw/zinc/71/94/25/539719425.db2.gz OZWSVDILLLGSNL-UHFFFAOYSA-N 1 2 373.365 2.273 20 5 FEBDLO C[N@@H+](CCOc1ccccc1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000023706382 539719427 /nfs/dbraw/zinc/71/94/27/539719427.db2.gz OZWSVDILLLGSNL-UHFFFAOYSA-N 1 2 373.365 2.273 20 5 FEBDLO O=[N+]([O-])c1cc(C[NH+]2CCN(c3ccc(O)cc3)CC2)c2c(c1)COCO2 ZINC000023750442 539719915 /nfs/dbraw/zinc/71/99/15/539719915.db2.gz KZSTZMFTEDAXFA-UHFFFAOYSA-N 1 2 371.393 2.489 20 5 FEBDLO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027354738 539805621 /nfs/dbraw/zinc/80/56/21/539805621.db2.gz FVNZIDQNNUSLEQ-UHFFFAOYSA-N 1 2 357.366 2.097 20 5 FEBDLO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027354738 539805625 /nfs/dbraw/zinc/80/56/25/539805625.db2.gz FVNZIDQNNUSLEQ-UHFFFAOYSA-N 1 2 357.366 2.097 20 5 FEBDLO CCN(CC)c1ccc(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c[nH+]1 ZINC000052314668 540462321 /nfs/dbraw/zinc/46/23/21/540462321.db2.gz PUTDMWHOAJUZQQ-UHFFFAOYSA-N 1 2 365.415 2.227 20 5 FEBDLO CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000052610701 540477395 /nfs/dbraw/zinc/47/73/95/540477395.db2.gz FIMGLFJUDZJWNO-OAHLLOKOSA-N 1 2 363.462 2.005 20 5 FEBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000052987654 540504682 /nfs/dbraw/zinc/50/46/82/540504682.db2.gz XXSVISFZFXYPKH-GOSISDBHSA-N 1 2 370.409 2.102 20 5 FEBDLO CCCNC(=O)C[N@H+](CCC)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000053366404 540529736 /nfs/dbraw/zinc/52/97/36/540529736.db2.gz SAWNBRHECJUKQN-UHFFFAOYSA-N 1 2 370.837 2.425 20 5 FEBDLO CCCNC(=O)C[N@@H+](CCC)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000053366404 540529737 /nfs/dbraw/zinc/52/97/37/540529737.db2.gz SAWNBRHECJUKQN-UHFFFAOYSA-N 1 2 370.837 2.425 20 5 FEBDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000054636397 540599813 /nfs/dbraw/zinc/59/98/13/540599813.db2.gz CYEHAJFVPTUQDB-CQSZACIVSA-N 1 2 371.441 2.180 20 5 FEBDLO O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000055816796 540678962 /nfs/dbraw/zinc/67/89/62/540678962.db2.gz FIGZERAZGBKORM-UHFFFAOYSA-N 1 2 371.393 2.445 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cn3ccccc3[nH+]2)c(Cl)c1 ZINC000055973335 540691696 /nfs/dbraw/zinc/69/16/96/540691696.db2.gz VSNLMQWJPMIWIV-UHFFFAOYSA-N 1 2 366.786 2.374 20 5 FEBDLO Cc1cc(NCC(=O)NCC(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057827503 540817822 /nfs/dbraw/zinc/81/78/22/540817822.db2.gz FCJQVIIBNGDDRV-UHFFFAOYSA-N 1 2 369.303 2.451 20 5 FEBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[NH+](C2CC2)CC1 ZINC000124797333 209362106 /nfs/dbraw/zinc/36/21/06/209362106.db2.gz SESWDPUBFJIEPP-UHFFFAOYSA-N 1 2 361.445 2.461 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)s1 ZINC000064245085 541197293 /nfs/dbraw/zinc/19/72/93/541197293.db2.gz PJHZCBBGNUWKFF-UHFFFAOYSA-N 1 2 368.440 2.130 20 5 FEBDLO O=C(NCC[NH+]1Cc2ccccc2C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066633562 541350915 /nfs/dbraw/zinc/35/09/15/541350915.db2.gz GIZUCIYLGYKXIB-UHFFFAOYSA-N 1 2 369.377 2.112 20 5 FEBDLO Cc1ccn2cc(CNC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)[nH+]c2c1 ZINC000066629046 541349408 /nfs/dbraw/zinc/34/94/08/541349408.db2.gz MPRRSIDZHFNINA-UHFFFAOYSA-N 1 2 368.349 2.252 20 5 FEBDLO Cc1cc(C)c(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)c(C)[nH+]1 ZINC000097213853 209175624 /nfs/dbraw/zinc/17/56/24/209175624.db2.gz XNQQUFLGAPVUJF-UHFFFAOYSA-N 1 2 356.338 2.462 20 5 FEBDLO CCN(CC)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000072991597 541905437 /nfs/dbraw/zinc/90/54/37/541905437.db2.gz ZMJODMSDUMFFSH-UHFFFAOYSA-N 1 2 371.441 2.133 20 5 FEBDLO CCOc1ccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000073545076 541963526 /nfs/dbraw/zinc/96/35/26/541963526.db2.gz GFAKWSWKVRBSMX-UHFFFAOYSA-N 1 2 358.398 2.499 20 5 FEBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000075435622 542179552 /nfs/dbraw/zinc/17/95/52/542179552.db2.gz BOGBEYQCUSFJIQ-UHFFFAOYSA-N 1 2 357.414 2.166 20 5 FEBDLO Cc1ccn2cc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)[nH+]c2c1 ZINC000079911512 542549708 /nfs/dbraw/zinc/54/97/08/542549708.db2.gz AWNGQOUWTZFFQP-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000101922998 543049995 /nfs/dbraw/zinc/04/99/95/543049995.db2.gz OGEOCTBSSADEFI-UHFFFAOYSA-N 1 2 370.818 2.471 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(N3CCCC3=O)CC2)cccc1[N+](=O)[O-] ZINC000104728116 543140166 /nfs/dbraw/zinc/14/01/66/543140166.db2.gz JEPXFTTTZOBNEC-CQSZACIVSA-N 1 2 374.441 2.317 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)Cc1cn2ccccc2[nH+]1 ZINC000105521101 543174982 /nfs/dbraw/zinc/17/49/82/543174982.db2.gz YPFADQBHPZJLEU-UHFFFAOYSA-N 1 2 361.379 2.366 20 5 FEBDLO CCOC1CC[NH+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000108715865 543300795 /nfs/dbraw/zinc/30/07/95/543300795.db2.gz BLIYWSHCYHDPFG-GFCCVEGCSA-N 1 2 351.403 2.431 20 5 FEBDLO COc1ccc(NC(=O)C[NH+]2CCC(n3cccn3)CC2)c([N+](=O)[O-])c1 ZINC000109008140 543310710 /nfs/dbraw/zinc/31/07/10/543310710.db2.gz AKLBCMYHEFHJTN-UHFFFAOYSA-N 1 2 359.386 2.076 20 5 FEBDLO CCOCC[NH+]1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000110919301 543374271 /nfs/dbraw/zinc/37/42/71/543374271.db2.gz BKIMIRBMWXEAQH-CQSZACIVSA-N 1 2 367.471 2.256 20 5 FEBDLO CNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000111263682 543390336 /nfs/dbraw/zinc/39/03/36/543390336.db2.gz UWAKUDNSDIWEBP-QWRGUYRKSA-N 1 2 368.821 2.033 20 5 FEBDLO CNC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000111263682 543390337 /nfs/dbraw/zinc/39/03/37/543390337.db2.gz UWAKUDNSDIWEBP-QWRGUYRKSA-N 1 2 368.821 2.033 20 5 FEBDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000127482010 543996353 /nfs/dbraw/zinc/99/63/53/543996353.db2.gz JWIWKCAYPBKRMY-UHFFFAOYSA-N 1 2 365.411 2.448 20 5 FEBDLO O=C1[C@@H]([NH+]2CCC(O)(C(F)(F)F)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000128341080 544046814 /nfs/dbraw/zinc/04/68/14/544046814.db2.gz ZTYOMPRVSZTPLM-ZDUSSCGKSA-N 1 2 373.331 2.089 20 5 FEBDLO O=C(C[N@@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000135527663 544351043 /nfs/dbraw/zinc/35/10/43/544351043.db2.gz ZGBCSHCUDPPYSX-GXTWGEPZSA-N 1 2 371.846 2.393 20 5 FEBDLO O=C(C[N@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000135527663 544351044 /nfs/dbraw/zinc/35/10/44/544351044.db2.gz ZGBCSHCUDPPYSX-GXTWGEPZSA-N 1 2 371.846 2.393 20 5 FEBDLO CCOc1cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])cc1OC ZINC000153491664 544782013 /nfs/dbraw/zinc/78/20/13/544782013.db2.gz IKXUFGAVBZQXGD-GFCCVEGCSA-N 1 2 362.386 2.265 20 5 FEBDLO C[C@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@H]1n1cc[nH+]c1 ZINC000182397624 327773599 /nfs/dbraw/zinc/77/35/99/327773599.db2.gz FEWNJMRVHBQUGM-SMDDNHRTSA-N 1 2 358.354 2.243 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000187568032 328033770 /nfs/dbraw/zinc/03/37/70/328033770.db2.gz IBNXKWIMMZNLCO-UHFFFAOYSA-N 1 2 363.414 2.017 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@](CC)(CO)C2)c([N+](=O)[O-])c1 ZINC000187597742 328035065 /nfs/dbraw/zinc/03/50/65/328035065.db2.gz BRROILQVQJERNP-SFHVURJKSA-N 1 2 365.430 2.417 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@](CC)(CO)C2)c([N+](=O)[O-])c1 ZINC000187597742 328035067 /nfs/dbraw/zinc/03/50/67/328035067.db2.gz BRROILQVQJERNP-SFHVURJKSA-N 1 2 365.430 2.417 20 5 FEBDLO CC[C@@]1(CO)CCC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000187632550 328037102 /nfs/dbraw/zinc/03/71/02/328037102.db2.gz AFGJOXSABGJXHN-QGZVFWFLSA-N 1 2 351.403 2.026 20 5 FEBDLO CC[C@@]1(CO)CCC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000187632550 328037104 /nfs/dbraw/zinc/03/71/04/328037104.db2.gz AFGJOXSABGJXHN-QGZVFWFLSA-N 1 2 351.403 2.026 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1 ZINC000191710868 328278295 /nfs/dbraw/zinc/27/82/95/328278295.db2.gz CUXBZINRAHIDOK-GFCCVEGCSA-N 1 2 363.443 2.392 20 5 FEBDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000191808123 328282915 /nfs/dbraw/zinc/28/29/15/328282915.db2.gz ZYHGVDLGKPYQOY-JQWIXIFHSA-N 1 2 369.805 2.318 20 5 FEBDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000191808123 328282916 /nfs/dbraw/zinc/28/29/16/328282916.db2.gz ZYHGVDLGKPYQOY-JQWIXIFHSA-N 1 2 369.805 2.318 20 5 FEBDLO Cc1cc(OCC(=O)N2CC[NH+](Cc3ccco3)CC2)ccc1[N+](=O)[O-] ZINC000053542328 324743716 /nfs/dbraw/zinc/74/37/16/324743716.db2.gz OVFNIEPEBWRMKE-UHFFFAOYSA-N 1 2 359.382 2.219 20 5 FEBDLO O=C(C[NH+]1CCC(CC(=O)N2CCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000079997738 325112935 /nfs/dbraw/zinc/11/29/35/325112935.db2.gz USWMHHCWEKNQMC-UHFFFAOYSA-N 1 2 374.441 2.258 20 5 FEBDLO CN(C)c1[nH+]cccc1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087037147 325272011 /nfs/dbraw/zinc/27/20/11/325272011.db2.gz UISDYBMGQYDFHO-UHFFFAOYSA-N 1 2 355.398 2.324 20 5 FEBDLO O=C1c2ccccc2C(=O)N1CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605818 325298728 /nfs/dbraw/zinc/29/87/28/325298728.db2.gz SEMJJYDCXVVAGB-UHFFFAOYSA-N 1 2 351.362 2.249 20 5 FEBDLO O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605818 325298729 /nfs/dbraw/zinc/29/87/29/325298729.db2.gz SEMJJYDCXVVAGB-UHFFFAOYSA-N 1 2 351.362 2.249 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000109487786 325668810 /nfs/dbraw/zinc/66/88/10/325668810.db2.gz ROQQDJKKBUVPPG-UHFFFAOYSA-N 1 2 372.360 2.131 20 5 FEBDLO CCc1cc(NCCCS(C)(=O)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000115879426 325984554 /nfs/dbraw/zinc/98/45/54/325984554.db2.gz KDZOHDHWQGVUQU-UHFFFAOYSA-N 1 2 364.427 2.461 20 5 FEBDLO CCOC(=O)c1c[nH]n(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)c1=N ZINC000118838602 326106657 /nfs/dbraw/zinc/10/66/57/326106657.db2.gz RVQLUNVCWVBIMA-UHFFFAOYSA-N 1 2 373.413 2.218 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000119360769 326153426 /nfs/dbraw/zinc/15/34/26/326153426.db2.gz UGBCFTINKWONLO-CYBMUJFWSA-N 1 2 358.398 2.432 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000120318825 326249017 /nfs/dbraw/zinc/24/90/17/326249017.db2.gz XOGWXBDDUNLHDF-KGLIPLIRSA-N 1 2 350.419 2.442 20 5 FEBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000120722756 326282037 /nfs/dbraw/zinc/28/20/37/326282037.db2.gz NIXOVVQZPBOKJS-LBPRGKRZSA-N 1 2 373.369 2.331 20 5 FEBDLO COc1cc(OCC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000123304493 326427121 /nfs/dbraw/zinc/42/71/21/326427121.db2.gz LUEJJNOTEQSYFG-XJKSGUPXSA-N 1 2 374.397 2.288 20 5 FEBDLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc([N+](=O)[O-])c1 ZINC000147739264 326665774 /nfs/dbraw/zinc/66/57/74/326665774.db2.gz KIEONCUSSTWRDT-UHFFFAOYSA-N 1 2 356.382 2.065 20 5 FEBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CCCn2cc[nH+]c2)cc1OC ZINC000161686600 327006445 /nfs/dbraw/zinc/00/64/45/327006445.db2.gz JFVKIVBATLQPTB-UHFFFAOYSA-N 1 2 362.386 2.361 20 5 FEBDLO CCc1n[nH]c(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000171368323 327135100 /nfs/dbraw/zinc/13/51/00/327135100.db2.gz FPKHOSHMPSNZEY-UHFFFAOYSA-N 1 2 357.414 2.147 20 5 FEBDLO CCc1[nH]nc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000171368323 327135102 /nfs/dbraw/zinc/13/51/02/327135102.db2.gz FPKHOSHMPSNZEY-UHFFFAOYSA-N 1 2 357.414 2.147 20 5 FEBDLO Cc1ccc(NCCCNC(=O)NCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172465588 327203017 /nfs/dbraw/zinc/20/30/17/327203017.db2.gz RHVAHTBZKNSTPF-UHFFFAOYSA-N 1 2 360.418 2.291 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000172611820 327211423 /nfs/dbraw/zinc/21/14/23/327211423.db2.gz VHGHFRITKTUILC-LBPRGKRZSA-N 1 2 354.370 2.235 20 5 FEBDLO C[C@@H](C(=O)Nc1ncccn1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173798927 327284982 /nfs/dbraw/zinc/28/49/82/327284982.db2.gz XPRXKGJHPYRZTO-ZDUSSCGKSA-N 1 2 371.397 2.255 20 5 FEBDLO O=C(c1ccc(O)cc1)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000177178390 327503654 /nfs/dbraw/zinc/50/36/54/327503654.db2.gz ABXDGSAXGXNKOZ-UHFFFAOYSA-N 1 2 371.393 2.137 20 5 FEBDLO CCCc1n[nH]c(C(=O)NCc2cccnc2-n2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000264667385 329046154 /nfs/dbraw/zinc/04/61/54/329046154.db2.gz KLSNWFKKOGEEBG-UHFFFAOYSA-N 1 2 369.385 2.090 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000264690389 329049379 /nfs/dbraw/zinc/04/93/79/329049379.db2.gz NJYAINAZOGDLJP-ZDUSSCGKSA-N 1 2 373.413 2.214 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000264690389 329049380 /nfs/dbraw/zinc/04/93/80/329049380.db2.gz NJYAINAZOGDLJP-ZDUSSCGKSA-N 1 2 373.413 2.214 20 5 FEBDLO COc1ccc(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)cc1[N+](=O)[O-] ZINC000264701717 329050457 /nfs/dbraw/zinc/05/04/57/329050457.db2.gz QIRTYRWSAIOVQV-AWEZNQCLSA-N 1 2 373.413 2.214 20 5 FEBDLO COc1ccc(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)cc1[N+](=O)[O-] ZINC000264701717 329050460 /nfs/dbraw/zinc/05/04/60/329050460.db2.gz QIRTYRWSAIOVQV-AWEZNQCLSA-N 1 2 373.413 2.214 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000265606958 329142597 /nfs/dbraw/zinc/14/25/97/329142597.db2.gz KOGJYLWPYHNFQJ-VXMWWYGOSA-N 1 2 353.444 2.073 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000265606958 329142599 /nfs/dbraw/zinc/14/25/99/329142599.db2.gz KOGJYLWPYHNFQJ-VXMWWYGOSA-N 1 2 353.444 2.073 20 5 FEBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000266250882 329204666 /nfs/dbraw/zinc/20/46/66/329204666.db2.gz NCHBVYVSPKWZCO-LLVKDONJSA-N 1 2 373.381 2.042 20 5 FEBDLO C[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CCOC1 ZINC000266746959 329255343 /nfs/dbraw/zinc/25/53/43/329255343.db2.gz OXMBPJYPHAKCSM-ZDUSSCGKSA-N 1 2 362.411 2.378 20 5 FEBDLO C[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CCOC1 ZINC000266746959 329255344 /nfs/dbraw/zinc/25/53/44/329255344.db2.gz OXMBPJYPHAKCSM-ZDUSSCGKSA-N 1 2 362.411 2.378 20 5 FEBDLO CO[C@H]1CC[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000267808989 329359681 /nfs/dbraw/zinc/35/96/81/329359681.db2.gz MNMSIEGZFZDZGU-ZDUSSCGKSA-N 1 2 362.411 2.378 20 5 FEBDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000267808989 329359683 /nfs/dbraw/zinc/35/96/83/329359683.db2.gz MNMSIEGZFZDZGU-ZDUSSCGKSA-N 1 2 362.411 2.378 20 5 FEBDLO COCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000270298660 329589093 /nfs/dbraw/zinc/58/90/93/329589093.db2.gz AENVRELNWTZCLB-NSHDSACASA-N 1 2 371.821 2.049 20 5 FEBDLO C[C@@]1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000273363034 329858576 /nfs/dbraw/zinc/85/85/76/329858576.db2.gz SVXMINKUGKGHKE-FUHWJXTLSA-N 1 2 356.382 2.468 20 5 FEBDLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000275208767 330022202 /nfs/dbraw/zinc/02/22/02/330022202.db2.gz RVAMKCBPSAFZEF-DTWKUNHWSA-N 1 2 352.782 2.055 20 5 FEBDLO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000367090611 330215684 /nfs/dbraw/zinc/21/56/84/330215684.db2.gz BBWBKGZIYGEJSY-CYBMUJFWSA-N 1 2 366.393 2.371 20 5 FEBDLO CN(C(=O)CSc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+]1CCOCC1 ZINC000414055418 330258316 /nfs/dbraw/zinc/25/83/16/330258316.db2.gz XBIVXEVRWXGAIX-UHFFFAOYSA-N 1 2 367.471 2.256 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])cc1OC(F)F ZINC000804809080 674301714 /nfs/dbraw/zinc/30/17/14/674301714.db2.gz NLHOHWXGWLXNNA-YPMHNXCESA-N 1 2 357.357 2.496 20 5 FEBDLO CC(C)c1nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc[nH+]1 ZINC000156720239 545651943 /nfs/dbraw/zinc/65/19/43/545651943.db2.gz MMONCUPSADIQNJ-UHFFFAOYSA-N 1 2 355.398 2.471 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176423085 546443596 /nfs/dbraw/zinc/44/35/96/546443596.db2.gz VZUPTGJICKGYIG-UHFFFAOYSA-N 1 2 364.427 2.415 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000177280883 546585842 /nfs/dbraw/zinc/58/58/42/546585842.db2.gz MUNUFKJPWSQCOW-QMTHXVAHSA-N 1 2 361.320 2.229 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@](O)(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000177280883 546585847 /nfs/dbraw/zinc/58/58/47/546585847.db2.gz MUNUFKJPWSQCOW-QMTHXVAHSA-N 1 2 361.320 2.229 20 5 FEBDLO O=C(N[C@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177665328 546662718 /nfs/dbraw/zinc/66/27/18/546662718.db2.gz YAZLRINLJWILNG-JKIFEVAISA-N 1 2 356.382 2.468 20 5 FEBDLO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000482706537 561258842 /nfs/dbraw/zinc/25/88/42/561258842.db2.gz KUZYKDFUCQJEPN-ZDUSSCGKSA-N 1 2 359.430 2.455 20 5 FEBDLO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000482706537 561258843 /nfs/dbraw/zinc/25/88/43/561258843.db2.gz KUZYKDFUCQJEPN-ZDUSSCGKSA-N 1 2 359.430 2.455 20 5 FEBDLO CCc1cnc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000181942353 547410040 /nfs/dbraw/zinc/41/00/40/547410040.db2.gz AVNATMZQOXWTGK-LBPRGKRZSA-N 1 2 351.428 2.485 20 5 FEBDLO CCc1cnc(C[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000181942353 547410045 /nfs/dbraw/zinc/41/00/45/547410045.db2.gz AVNATMZQOXWTGK-LBPRGKRZSA-N 1 2 351.428 2.485 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000182922706 547573530 /nfs/dbraw/zinc/57/35/30/547573530.db2.gz ODIGDFCGJGZUHG-CQSZACIVSA-N 1 2 370.409 2.111 20 5 FEBDLO Cc1nc(N2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)cc[nH+]1 ZINC000183787977 547719720 /nfs/dbraw/zinc/71/97/20/547719720.db2.gz TVSMAOREFLZPIP-UHFFFAOYSA-N 1 2 354.370 2.157 20 5 FEBDLO Cc1nc(N2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000184953626 547906034 /nfs/dbraw/zinc/90/60/34/547906034.db2.gz BZJDCZVTBWACNS-UHFFFAOYSA-N 1 2 361.789 2.309 20 5 FEBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[NH+](Cc2ccco2)CC1 ZINC000485553723 561322316 /nfs/dbraw/zinc/32/23/16/561322316.db2.gz APQWAHZCACLOOJ-UHFFFAOYSA-N 1 2 365.336 2.353 20 5 FEBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000194013881 548421789 /nfs/dbraw/zinc/42/17/89/548421789.db2.gz SLZWANGBXMRSSS-LLVKDONJSA-N 1 2 362.411 2.276 20 5 FEBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000194719647 548520689 /nfs/dbraw/zinc/52/06/89/548520689.db2.gz HJJHCDIXDKKYSH-OKILXGFUSA-N 1 2 367.471 2.255 20 5 FEBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000194719647 548520696 /nfs/dbraw/zinc/52/06/96/548520696.db2.gz HJJHCDIXDKKYSH-OKILXGFUSA-N 1 2 367.471 2.255 20 5 FEBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000488151859 561384713 /nfs/dbraw/zinc/38/47/13/561384713.db2.gz XRYWMXCOOUPORW-UHFFFAOYSA-N 1 2 350.400 2.329 20 5 FEBDLO CN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2cccnc21 ZINC000488195159 561385740 /nfs/dbraw/zinc/38/57/40/561385740.db2.gz BRUHAAJWOJZBLQ-UHFFFAOYSA-N 1 2 364.365 2.272 20 5 FEBDLO Cc1nnc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000268459715 550069893 /nfs/dbraw/zinc/06/98/93/550069893.db2.gz KMJOHAATGZQNMC-YPMHNXCESA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1nnc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000268459715 550069895 /nfs/dbraw/zinc/06/98/95/550069895.db2.gz KMJOHAATGZQNMC-YPMHNXCESA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000268459715 550069897 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373.804 2.252 20 5 FEBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000279287210 550873708 /nfs/dbraw/zinc/87/37/08/550873708.db2.gz LCAFIIKKJCPGST-UHFFFAOYSA-N 1 2 360.414 2.259 20 5 FEBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000279287210 550873709 /nfs/dbraw/zinc/87/37/09/550873709.db2.gz LCAFIIKKJCPGST-UHFFFAOYSA-N 1 2 360.414 2.259 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)O1 ZINC000282348547 551215137 /nfs/dbraw/zinc/21/51/37/551215137.db2.gz CHYYLRJGOIJRKL-XGVBPZLHSA-N 1 2 352.362 2.417 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)O1 ZINC000282348547 551215139 /nfs/dbraw/zinc/21/51/39/551215139.db2.gz CHYYLRJGOIJRKL-XGVBPZLHSA-N 1 2 352.362 2.417 20 5 FEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284294443 551517319 /nfs/dbraw/zinc/51/73/19/551517319.db2.gz ZODFRQDRYRPAPX-RCBQFDQVSA-N 1 2 365.455 2.007 20 5 FEBDLO 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CC[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H](C)[S@@]1=O ZINC000285888100 551823764 /nfs/dbraw/zinc/82/37/64/551823764.db2.gz JWNZHUQQSDVYKD-XYWAVCLCSA-N 1 2 356.444 2.214 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000287586155 552022089 /nfs/dbraw/zinc/02/20/89/552022089.db2.gz XRVBHPSEPGSTEM-YPMHNXCESA-N 1 2 353.806 2.183 20 5 FEBDLO COC(=O)c1cc(C)nc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000287849548 552054664 /nfs/dbraw/zinc/05/46/64/552054664.db2.gz MGRKQCUYIOTWGI-RISCZKNCSA-N 1 2 359.386 2.369 20 5 FEBDLO Cc1nc(N2CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000499637668 561555110 /nfs/dbraw/zinc/55/51/10/561555110.db2.gz ZDGBPYRVWRGCAW-UHFFFAOYSA-N 1 2 369.425 2.320 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000290024754 552415833 /nfs/dbraw/zinc/41/58/33/552415833.db2.gz VHZYDKXVTZZYST-CQSZACIVSA-N 1 2 373.413 2.384 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000290024754 552415835 /nfs/dbraw/zinc/41/58/35/552415835.db2.gz VHZYDKXVTZZYST-CQSZACIVSA-N 1 2 373.413 2.384 20 5 FEBDLO CCOc1cc(NC(=O)NCc2c[nH+]cn2C)c([N+](=O)[O-])cc1OCC ZINC000290521662 552492266 /nfs/dbraw/zinc/49/22/66/552492266.db2.gz UABQPUJRZVGJGH-UHFFFAOYSA-N 1 2 363.374 2.447 20 5 FEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000290822623 552544418 /nfs/dbraw/zinc/54/44/18/552544418.db2.gz GAPKBNUWOKWTLJ-IAQYHMDHSA-N 1 2 353.806 2.183 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1CNc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000291142944 552592606 /nfs/dbraw/zinc/59/26/06/552592606.db2.gz YHCAYWWCGXNGRO-UHFFFAOYSA-N 1 2 354.410 2.447 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1CNc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000291142944 552592609 /nfs/dbraw/zinc/59/26/09/552592609.db2.gz YHCAYWWCGXNGRO-UHFFFAOYSA-N 1 2 354.410 2.447 20 5 FEBDLO COc1cc[nH+]cc1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000292986047 552777654 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C[C@@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000302419627 553716274 /nfs/dbraw/zinc/71/62/74/553716274.db2.gz MRXVFQOGUCPLJK-OAHLLOKOSA-N 1 2 369.421 2.329 20 5 FEBDLO C[C@@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000302419627 553716277 /nfs/dbraw/zinc/71/62/77/553716277.db2.gz MRXVFQOGUCPLJK-OAHLLOKOSA-N 1 2 369.421 2.329 20 5 FEBDLO CC(C)c1nc(N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)nc(N(C)C)[nH+]1 ZINC000302772196 553732163 /nfs/dbraw/zinc/73/21/63/553732163.db2.gz NHMGLHDQMJLBIQ-UHFFFAOYSA-N 1 2 358.402 2.237 20 5 FEBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000505458927 561671391 /nfs/dbraw/zinc/67/13/91/561671391.db2.gz WLAZVCGMDXQLJE-UHFFFAOYSA-N 1 2 371.393 2.137 20 5 FEBDLO CN(C)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC000506273890 561694637 /nfs/dbraw/zinc/69/46/37/561694637.db2.gz VWCYMQIYSXTDNQ-UHFFFAOYSA-N 1 2 370.818 2.188 20 5 FEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C 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/nfs/dbraw/zinc/93/38/46/554933846.db2.gz GZMWYGKKXIKVIO-AWEZNQCLSA-N 1 2 355.398 2.227 20 5 FEBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000362254636 554958287 /nfs/dbraw/zinc/95/82/87/554958287.db2.gz HRGHUMUKDLSOBF-CQSZACIVSA-N 1 2 361.423 2.356 20 5 FEBDLO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000363198195 555051639 /nfs/dbraw/zinc/05/16/39/555051639.db2.gz BAKXWTSUQXAZPI-SNPRPXQTSA-N 1 2 371.397 2.263 20 5 FEBDLO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000363198195 555051642 /nfs/dbraw/zinc/05/16/42/555051642.db2.gz BAKXWTSUQXAZPI-SNPRPXQTSA-N 1 2 371.397 2.263 20 5 FEBDLO CC(=O)c1ccc(NC2CC[NH+](CC(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000364418430 555309922 /nfs/dbraw/zinc/30/99/22/555309922.db2.gz LYFWZHFFMXFZFF-UHFFFAOYSA-N 1 2 374.441 2.296 20 5 FEBDLO COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000364765011 555396455 /nfs/dbraw/zinc/39/64/55/555396455.db2.gz RQYYACQTFXGJPE-NSHDSACASA-N 1 2 369.805 2.318 20 5 FEBDLO COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000364765011 555396458 /nfs/dbraw/zinc/39/64/58/555396458.db2.gz RQYYACQTFXGJPE-NSHDSACASA-N 1 2 369.805 2.318 20 5 FEBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000365404614 555566348 /nfs/dbraw/zinc/56/63/48/555566348.db2.gz JBGABFCPOGLRCW-UHFFFAOYSA-N 1 2 358.354 2.129 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000366621141 555893120 /nfs/dbraw/zinc/89/31/20/555893120.db2.gz HBUIPPLVAGWULG-UHFFFAOYSA-N 1 2 370.409 2.347 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000366621141 555893121 /nfs/dbraw/zinc/89/31/21/555893121.db2.gz HBUIPPLVAGWULG-UHFFFAOYSA-N 1 2 370.409 2.347 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000367334652 556021081 /nfs/dbraw/zinc/02/10/81/556021081.db2.gz PMVUSHDKPQLQGF-INIZCTEOSA-N 1 2 373.413 2.421 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000367334652 556021084 /nfs/dbraw/zinc/02/10/84/556021084.db2.gz PMVUSHDKPQLQGF-INIZCTEOSA-N 1 2 373.413 2.421 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)o2)cc1 ZINC000367682117 556113466 /nfs/dbraw/zinc/11/34/66/556113466.db2.gz GASVSCOFRFHQAM-SUMWQHHRSA-N 1 2 362.407 2.474 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)o2)cc1 ZINC000367682117 556113468 /nfs/dbraw/zinc/11/34/68/556113468.db2.gz GASVSCOFRFHQAM-SUMWQHHRSA-N 1 2 362.407 2.474 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000367728599 556124653 /nfs/dbraw/zinc/12/46/53/556124653.db2.gz MEJRIIZWNBCLNL-NEPJUHHUSA-N 1 2 353.806 2.183 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCOCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000368836890 556425947 /nfs/dbraw/zinc/42/59/47/556425947.db2.gz YBSWRQMPLBKREZ-CYBMUJFWSA-N 1 2 363.414 2.433 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCOCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000368836890 556425949 /nfs/dbraw/zinc/42/59/49/556425949.db2.gz YBSWRQMPLBKREZ-CYBMUJFWSA-N 1 2 363.414 2.433 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000369049880 556488897 /nfs/dbraw/zinc/48/88/97/556488897.db2.gz ZQKXANDWARVPSC-CQSZACIVSA-N 1 2 355.398 2.253 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000369049880 556488899 /nfs/dbraw/zinc/48/88/99/556488899.db2.gz ZQKXANDWARVPSC-CQSZACIVSA-N 1 2 355.398 2.253 20 5 FEBDLO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000516216789 562036583 /nfs/dbraw/zinc/03/65/83/562036583.db2.gz SDWWKVBPOIXSBA-IUODEOHRSA-N 1 2 371.397 2.108 20 5 FEBDLO O=C(NC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1)c1ccc[nH]1 ZINC000370228423 556816477 /nfs/dbraw/zinc/81/64/77/556816477.db2.gz WAEFOEAFURRFFF-UHFFFAOYSA-N 1 2 369.381 2.459 20 5 FEBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@]2(CCCOC2)O1 ZINC000370711754 556946663 /nfs/dbraw/zinc/94/66/63/556946663.db2.gz XXQKJOZFRXXLDI-SCLBCKFNSA-N 1 2 364.398 2.231 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@]2(CCCOC2)O1 ZINC000370711754 556946665 /nfs/dbraw/zinc/94/66/65/556946665.db2.gz XXQKJOZFRXXLDI-SCLBCKFNSA-N 1 2 364.398 2.231 20 5 FEBDLO Cc1c(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000371349811 557156558 /nfs/dbraw/zinc/15/65/58/557156558.db2.gz MRIDNFWILXCYHY-SNVBAGLBSA-N 1 2 359.342 2.130 20 5 FEBDLO Cc1c(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000371349811 557156560 /nfs/dbraw/zinc/15/65/60/557156560.db2.gz MRIDNFWILXCYHY-SNVBAGLBSA-N 1 2 359.342 2.130 20 5 FEBDLO CCN(CC)c1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c[nH+]1 ZINC000518269129 562107611 /nfs/dbraw/zinc/10/76/11/562107611.db2.gz HKXCZTAEYNIEAM-UHFFFAOYSA-N 1 2 361.377 2.487 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC000372963163 557598187 /nfs/dbraw/zinc/59/81/87/557598187.db2.gz VXFGVDRWXRKRIC-STQMWFEESA-N 1 2 365.434 2.160 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC000372963163 557598190 /nfs/dbraw/zinc/59/81/90/557598190.db2.gz VXFGVDRWXRKRIC-STQMWFEESA-N 1 2 365.434 2.160 20 5 FEBDLO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@]2(CCOC2)O1 ZINC000373484313 557702061 /nfs/dbraw/zinc/70/20/61/557702061.db2.gz XJAIUCBZBMSHBZ-FUHWJXTLSA-N 1 2 364.398 2.231 20 5 FEBDLO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@]2(CCOC2)O1 ZINC000373484313 557702063 /nfs/dbraw/zinc/70/20/63/557702063.db2.gz XJAIUCBZBMSHBZ-FUHWJXTLSA-N 1 2 364.398 2.231 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000373763098 557754273 /nfs/dbraw/zinc/75/42/73/557754273.db2.gz ZRCPHILWGYYTBM-UHFFFAOYSA-N 1 2 370.409 2.347 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000373763098 557754275 /nfs/dbraw/zinc/75/42/75/557754275.db2.gz ZRCPHILWGYYTBM-UHFFFAOYSA-N 1 2 370.409 2.347 20 5 FEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000375499152 558038423 /nfs/dbraw/zinc/03/84/23/558038423.db2.gz VAOHRYQGQONJAN-SUNKGSAMSA-N 1 2 368.231 2.443 20 5 FEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000375499152 558038424 /nfs/dbraw/zinc/03/84/24/558038424.db2.gz VAOHRYQGQONJAN-SUNKGSAMSA-N 1 2 368.231 2.443 20 5 FEBDLO C[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000521772183 562183265 /nfs/dbraw/zinc/18/32/65/562183265.db2.gz FXZVEIGKDIBCBV-NWDGAFQWSA-N 1 2 359.423 2.275 20 5 FEBDLO C[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000521772183 562183266 /nfs/dbraw/zinc/18/32/66/562183266.db2.gz FXZVEIGKDIBCBV-NWDGAFQWSA-N 1 2 359.423 2.275 20 5 FEBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)no1 ZINC000376686255 558208389 /nfs/dbraw/zinc/20/83/89/558208389.db2.gz CXBNFPOOZJHSKZ-AWEZNQCLSA-N 1 2 360.418 2.481 20 5 FEBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)no1 ZINC000376686255 558208391 /nfs/dbraw/zinc/20/83/91/558208391.db2.gz CXBNFPOOZJHSKZ-AWEZNQCLSA-N 1 2 360.418 2.481 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCn2c[nH+]cc2C1 ZINC000378122372 558486619 /nfs/dbraw/zinc/48/66/19/558486619.db2.gz WVZAMOAFAUWTIT-UHFFFAOYSA-N 1 2 365.187 2.139 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C)CCC2 ZINC000378252156 558512467 /nfs/dbraw/zinc/51/24/67/558512467.db2.gz NRIVPUXFCZRGQC-CYBMUJFWSA-N 1 2 364.427 2.264 20 5 FEBDLO CC(C)(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)n1cc([N+](=O)[O-])cn1 ZINC000523732898 562218825 /nfs/dbraw/zinc/21/88/25/562218825.db2.gz AEPSRKMRISGWMJ-UHFFFAOYSA-N 1 2 354.370 2.029 20 5 FEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000408040009 558640996 /nfs/dbraw/zinc/64/09/96/558640996.db2.gz BNQKHHLMJDPQNT-CHWSQXEVSA-N 1 2 355.460 2.315 20 5 FEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000408040009 558640997 /nfs/dbraw/zinc/64/09/97/558640997.db2.gz BNQKHHLMJDPQNT-CHWSQXEVSA-N 1 2 355.460 2.315 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000408182383 558654012 /nfs/dbraw/zinc/65/40/12/558654012.db2.gz JRRQYOFYMOXLMD-ZFWWWQNUSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000408182383 558654013 /nfs/dbraw/zinc/65/40/13/558654013.db2.gz JRRQYOFYMOXLMD-ZFWWWQNUSA-N 1 2 353.444 2.151 20 5 FEBDLO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000408184627 558654606 /nfs/dbraw/zinc/65/46/06/558654606.db2.gz ZVCZYDXFYZOYLE-NEPJUHHUSA-N 1 2 373.862 2.496 20 5 FEBDLO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000408184627 558654609 /nfs/dbraw/zinc/65/46/09/558654609.db2.gz ZVCZYDXFYZOYLE-NEPJUHHUSA-N 1 2 373.862 2.496 20 5 FEBDLO O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000525429884 562248118 /nfs/dbraw/zinc/24/81/18/562248118.db2.gz XMKCPPKQSFAHIY-IBGZPJMESA-N 1 2 367.405 2.385 20 5 FEBDLO O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000525429884 562248119 /nfs/dbraw/zinc/24/81/19/562248119.db2.gz XMKCPPKQSFAHIY-IBGZPJMESA-N 1 2 367.405 2.385 20 5 FEBDLO CCc1n[nH]c(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000412695968 559050986 /nfs/dbraw/zinc/05/09/86/559050986.db2.gz KASGJVZZDUTAIR-ZDUSSCGKSA-N 1 2 357.414 2.227 20 5 FEBDLO CCc1n[nH]c(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000412695968 559050988 /nfs/dbraw/zinc/05/09/88/559050988.db2.gz KASGJVZZDUTAIR-ZDUSSCGKSA-N 1 2 357.414 2.227 20 5 FEBDLO CCc1[nH]nc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000412695968 559050989 /nfs/dbraw/zinc/05/09/89/559050989.db2.gz KASGJVZZDUTAIR-ZDUSSCGKSA-N 1 2 357.414 2.227 20 5 FEBDLO CCc1[nH]nc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000412695968 559050990 /nfs/dbraw/zinc/05/09/90/559050990.db2.gz KASGJVZZDUTAIR-ZDUSSCGKSA-N 1 2 357.414 2.227 20 5 FEBDLO O=[N+]([O-])c1ccc2ccnc(Nc3cnn(CC[NH+]4CCOCC4)c3)c2c1 ZINC000413118627 559079982 /nfs/dbraw/zinc/07/99/82/559079982.db2.gz LQGCWALJARZMPS-UHFFFAOYSA-N 1 2 368.397 2.415 20 5 FEBDLO Cn1ccnc1[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[N@@H+]1C ZINC000413265000 559093458 /nfs/dbraw/zinc/09/34/58/559093458.db2.gz KFQRQGKIZAHCLM-MRXNPFEDSA-N 1 2 352.398 2.370 20 5 FEBDLO Cn1ccnc1[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[N@H+]1C ZINC000413265000 559093459 /nfs/dbraw/zinc/09/34/59/559093459.db2.gz KFQRQGKIZAHCLM-MRXNPFEDSA-N 1 2 352.398 2.370 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CCN1C ZINC000413265000 559093460 /nfs/dbraw/zinc/09/34/60/559093460.db2.gz KFQRQGKIZAHCLM-MRXNPFEDSA-N 1 2 352.398 2.370 20 5 FEBDLO Cc1cc(S(=O)(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)c(C)cc1[N+](=O)[O-] ZINC000416495216 559317647 /nfs/dbraw/zinc/31/76/47/559317647.db2.gz MCYIMKQSUIYQTA-NWDGAFQWSA-N 1 2 350.400 2.392 20 5 FEBDLO CN(CC(=O)OC(C)(C)C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000418928282 559422336 /nfs/dbraw/zinc/42/23/36/559422336.db2.gz UVOQSYIKGRYDQR-UHFFFAOYSA-N 1 2 365.430 2.205 20 5 FEBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420926863 559511804 /nfs/dbraw/zinc/51/18/04/559511804.db2.gz AMOMRBSRBGOPGI-RISCZKNCSA-N 1 2 362.386 2.178 20 5 FEBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420926863 559511805 /nfs/dbraw/zinc/51/18/05/559511805.db2.gz AMOMRBSRBGOPGI-RISCZKNCSA-N 1 2 362.386 2.178 20 5 FEBDLO CC(C)n1c[nH+]cc1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000425331831 559697157 /nfs/dbraw/zinc/69/71/57/559697157.db2.gz CQPVSEWIIJLHBE-UHFFFAOYSA-N 1 2 357.414 2.330 20 5 FEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425441174 559702556 /nfs/dbraw/zinc/70/25/56/559702556.db2.gz HYVCGJPWDOUHHB-WFBYXXMGSA-N 1 2 368.231 2.443 20 5 FEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425441174 559702557 /nfs/dbraw/zinc/70/25/57/559702557.db2.gz HYVCGJPWDOUHHB-WFBYXXMGSA-N 1 2 368.231 2.443 20 5 FEBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000428366047 559774096 /nfs/dbraw/zinc/77/40/96/559774096.db2.gz WKNYSFQFLAIJKT-OAHLLOKOSA-N 1 2 369.425 2.139 20 5 FEBDLO COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)[NH+](C)C ZINC000436675935 559948553 /nfs/dbraw/zinc/94/85/53/559948553.db2.gz YRYXOUHBOVMNDI-OAHLLOKOSA-N 1 2 359.382 2.342 20 5 FEBDLO Cc1nn(C)c(C)c1CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447799870 560169194 /nfs/dbraw/zinc/16/91/94/560169194.db2.gz MZFKMXARKWXVJT-UHFFFAOYSA-N 1 2 373.457 2.432 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC(O)(C(F)F)CC1 ZINC000447817660 560169917 /nfs/dbraw/zinc/16/99/17/560169917.db2.gz RDURNKKDQLGNTM-UHFFFAOYSA-N 1 2 371.384 2.023 20 5 FEBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC[NH+]1CCSCC1 ZINC000447815200 560169988 /nfs/dbraw/zinc/16/99/88/560169988.db2.gz DTVCDSYZMSKGGC-UHFFFAOYSA-N 1 2 359.835 2.496 20 5 FEBDLO COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448574989 560190652 /nfs/dbraw/zinc/19/06/52/560190652.db2.gz SMAJWLNJBLSHPO-CYBMUJFWSA-N 1 2 360.370 2.098 20 5 FEBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000449213584 560220395 /nfs/dbraw/zinc/22/03/95/560220395.db2.gz WWJHJKDPWYDKPC-HNNXBMFYSA-N 1 2 359.430 2.167 20 5 FEBDLO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000449956783 560246337 /nfs/dbraw/zinc/24/63/37/560246337.db2.gz AXKDMDSGLSLUTB-QGZVFWFLSA-N 1 2 357.414 2.397 20 5 FEBDLO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000449956783 560246338 /nfs/dbraw/zinc/24/63/38/560246338.db2.gz AXKDMDSGLSLUTB-QGZVFWFLSA-N 1 2 357.414 2.397 20 5 FEBDLO CCOC(=O)[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000451306543 560299168 /nfs/dbraw/zinc/29/91/68/560299168.db2.gz SLAYFVUATVJVDE-GFCCVEGCSA-N 1 2 372.381 2.337 20 5 FEBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H](C2CC2)O1 ZINC000451324940 560300280 /nfs/dbraw/zinc/30/02/80/560300280.db2.gz MHTOWFYPNSIBGE-PXAZEXFGSA-N 1 2 356.382 2.420 20 5 FEBDLO Cc1sc(S(=O)(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000451692761 560322323 /nfs/dbraw/zinc/32/23/23/560322323.db2.gz VKCCBRPNPQSKMJ-GFCCVEGCSA-N 1 2 370.456 2.470 20 5 FEBDLO O=C(NCC(F)F)[C@@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000451793589 560328945 /nfs/dbraw/zinc/32/89/45/560328945.db2.gz FGXJYKBVQDUXGD-AWEZNQCLSA-N 1 2 357.357 2.209 20 5 FEBDLO O=C(NCC(F)F)[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000451793589 560328946 /nfs/dbraw/zinc/32/89/46/560328946.db2.gz FGXJYKBVQDUXGD-AWEZNQCLSA-N 1 2 357.357 2.209 20 5 FEBDLO O=C(NCC(F)F)[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000451796723 560328989 /nfs/dbraw/zinc/32/89/89/560328989.db2.gz MVSXOXBAJJIFGN-ZDUSSCGKSA-N 1 2 357.357 2.209 20 5 FEBDLO O=C(NCC(F)F)[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000451796723 560328990 /nfs/dbraw/zinc/32/89/90/560328990.db2.gz MVSXOXBAJJIFGN-ZDUSSCGKSA-N 1 2 357.357 2.209 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451887688 560334643 /nfs/dbraw/zinc/33/46/43/560334643.db2.gz KBSOQOIPRAIJMU-GBIKHYSHSA-N 1 2 361.320 2.167 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451887688 560334644 /nfs/dbraw/zinc/33/46/44/560334644.db2.gz KBSOQOIPRAIJMU-GBIKHYSHSA-N 1 2 361.320 2.167 20 5 FEBDLO COc1cc(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000451900332 560335821 /nfs/dbraw/zinc/33/58/21/560335821.db2.gz ZYKMDGQDGUSKHW-SDBXPKJASA-N 1 2 352.284 2.488 20 5 FEBDLO COc1cc(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000451900332 560335822 /nfs/dbraw/zinc/33/58/22/560335822.db2.gz ZYKMDGQDGUSKHW-SDBXPKJASA-N 1 2 352.284 2.488 20 5 FEBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000452334721 560358346 /nfs/dbraw/zinc/35/83/46/560358346.db2.gz NPHACVIODMAUJA-UHFFFAOYSA-N 1 2 371.397 2.217 20 5 FEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456203097 560511039 /nfs/dbraw/zinc/51/10/39/560511039.db2.gz KWAPWZBEQICNGO-OKILXGFUSA-N 1 2 365.455 2.300 20 5 FEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456203097 560511040 /nfs/dbraw/zinc/51/10/40/560511040.db2.gz KWAPWZBEQICNGO-OKILXGFUSA-N 1 2 365.455 2.300 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000456311576 560514944 /nfs/dbraw/zinc/51/49/44/560514944.db2.gz SAJCZFJJUYNZLC-BMFZPTHFSA-N 1 2 370.409 2.404 20 5 FEBDLO C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c2[nH+]ccn21 ZINC000456435035 560520464 /nfs/dbraw/zinc/52/04/64/560520464.db2.gz VDXDOADLAFHTFP-OCCSQVGLSA-N 1 2 371.397 2.064 20 5 FEBDLO CO[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C12CCC2 ZINC000458155891 560605881 /nfs/dbraw/zinc/60/58/81/560605881.db2.gz BUDFFBHVPYWTSA-JKSUJKDBSA-N 1 2 356.382 2.468 20 5 FEBDLO C[C@@H]1C[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c2[nH+]ccn21 ZINC000459119712 560667754 /nfs/dbraw/zinc/66/77/54/560667754.db2.gz QSORANCMBAFVTR-ABAIWWIYSA-N 1 2 357.370 2.270 20 5 FEBDLO COc1nc(C)cc(C)c1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459500445 560690272 /nfs/dbraw/zinc/69/02/72/560690272.db2.gz BVQYNKCLXHFNOM-UHFFFAOYSA-N 1 2 357.414 2.332 20 5 FEBDLO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1cscn1 ZINC000459525703 560692106 /nfs/dbraw/zinc/69/21/06/560692106.db2.gz VNBMZSRUQGHQJR-ZDUSSCGKSA-N 1 2 360.439 2.440 20 5 FEBDLO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1cscn1 ZINC000459525703 560692107 /nfs/dbraw/zinc/69/21/07/560692107.db2.gz VNBMZSRUQGHQJR-ZDUSSCGKSA-N 1 2 360.439 2.440 20 5 FEBDLO O=C(NCCc1ccccc1[N+](=O)[O-])c1cccc(C[NH+]2CCOCC2)c1 ZINC000461261254 560765221 /nfs/dbraw/zinc/76/52/21/560765221.db2.gz GUMHQQLNXJYAAB-UHFFFAOYSA-N 1 2 369.421 2.400 20 5 FEBDLO CCN(CC)C(=O)C[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000461731121 560780715 /nfs/dbraw/zinc/78/07/15/560780715.db2.gz OQXFFADPDLCXFX-UHFFFAOYSA-N 1 2 352.410 2.033 20 5 FEBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000470183072 560976297 /nfs/dbraw/zinc/97/62/97/560976297.db2.gz PFSJFBFMWBFFPY-FMIVXFBMSA-N 1 2 360.443 2.254 20 5 FEBDLO COC(=O)COc1ccc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000475709959 561102819 /nfs/dbraw/zinc/10/28/19/561102819.db2.gz OAOSOUAOPMBBFY-LBPRGKRZSA-N 1 2 352.387 2.146 20 5 FEBDLO COC(=O)COc1ccc(C[N@H+]2CCOC(C)(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000475709959 561102820 /nfs/dbraw/zinc/10/28/20/561102820.db2.gz OAOSOUAOPMBBFY-LBPRGKRZSA-N 1 2 352.387 2.146 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H]1c1ccccn1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000532650211 562484554 /nfs/dbraw/zinc/48/45/54/562484554.db2.gz RFRUVWWORDXJQA-AWEZNQCLSA-N 1 2 370.365 2.494 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H]1c1ccccn1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000532650211 562484555 /nfs/dbraw/zinc/48/45/55/562484555.db2.gz RFRUVWWORDXJQA-AWEZNQCLSA-N 1 2 370.365 2.494 20 5 FEBDLO CNc1ccc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1[N+](=O)[O-] ZINC000532751264 562487518 /nfs/dbraw/zinc/48/75/18/562487518.db2.gz LULKUFJZDGHFNA-UHFFFAOYSA-N 1 2 371.397 2.429 20 5 FEBDLO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1cccc(O)c1 ZINC000533309940 562504990 /nfs/dbraw/zinc/50/49/90/562504990.db2.gz JUMPEIGHLYVHDX-UHFFFAOYSA-N 1 2 359.338 2.100 20 5 FEBDLO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1cccc(O)c1 ZINC000533309940 562504991 /nfs/dbraw/zinc/50/49/91/562504991.db2.gz JUMPEIGHLYVHDX-UHFFFAOYSA-N 1 2 359.338 2.100 20 5 FEBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000536535154 562578278 /nfs/dbraw/zinc/57/82/78/562578278.db2.gz ZEGNGVYADMJUGB-UHFFFAOYSA-N 1 2 362.411 2.227 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](c3ccncc3)C2)cc1 ZINC000570030166 568441937 /nfs/dbraw/zinc/44/19/37/568441937.db2.gz OVTHAHRKUBRIKB-OAHLLOKOSA-N 1 2 361.423 2.253 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](c3ccncc3)C2)cc1 ZINC000570030166 568441939 /nfs/dbraw/zinc/44/19/39/568441939.db2.gz OVTHAHRKUBRIKB-OAHLLOKOSA-N 1 2 361.423 2.253 20 5 FEBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C2 ZINC000735943364 598375267 /nfs/dbraw/zinc/37/52/67/598375267.db2.gz QEFCJHQQHYNGCW-UHFFFAOYSA-N 1 2 368.401 2.195 20 5 FEBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)c1 ZINC000826499463 608607140 /nfs/dbraw/zinc/60/71/40/608607140.db2.gz JKTHRISCPSNQSC-UHFFFAOYSA-N 1 2 371.426 2.159 20 5 FEBDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000560603696 674602956 /nfs/dbraw/zinc/60/29/56/674602956.db2.gz YHOZJRAYEBHKOX-BXUZGUMPSA-N 1 2 367.768 2.286 20 5 FEBDLO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000560603696 674602958 /nfs/dbraw/zinc/60/29/58/674602958.db2.gz YHOZJRAYEBHKOX-BXUZGUMPSA-N 1 2 367.768 2.286 20 5 FEBDLO C[C@@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000814987837 674893356 /nfs/dbraw/zinc/89/33/56/674893356.db2.gz FYXUOQDQNQGJIQ-VIFPVBQESA-N 1 2 365.814 2.150 20 5 FEBDLO CCc1ccc(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000575918848 671330757 /nfs/dbraw/zinc/33/07/57/671330757.db2.gz LSFHUTZYKWCNDG-UHFFFAOYSA-N 1 2 355.460 2.120 20 5 FEBDLO CC(C)C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000609441593 675922154 /nfs/dbraw/zinc/92/21/54/675922154.db2.gz KJKOINYTUGWAIF-INIZCTEOSA-N 1 2 353.394 2.211 20 5 FEBDLO Cc1cc(NCCC[N@@H+]2CCNC(=O)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000584304512 672175269 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2.425 20 5 FEBDLO C[N@@H+](CCc1nccs1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000157124216 672255414 /nfs/dbraw/zinc/25/54/14/672255414.db2.gz CQECJMREGJXAGJ-UHFFFAOYSA-N 1 2 361.427 2.425 20 5 FEBDLO C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000590680670 672601197 /nfs/dbraw/zinc/60/11/97/672601197.db2.gz RUJKBSZVOYOCIJ-ZANVPECISA-N 1 2 361.320 2.063 20 5 FEBDLO C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000590680670 672601201 /nfs/dbraw/zinc/60/12/01/672601201.db2.gz RUJKBSZVOYOCIJ-ZANVPECISA-N 1 2 361.320 2.063 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H](OC(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000611580646 676045760 /nfs/dbraw/zinc/04/57/60/676045760.db2.gz YXCZTMSGGCSZFZ-CYBMUJFWSA-N 1 2 355.341 2.188 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H](OC(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000611580646 676045763 /nfs/dbraw/zinc/04/57/63/676045763.db2.gz YXCZTMSGGCSZFZ-CYBMUJFWSA-N 1 2 355.341 2.188 20 5 FEBDLO 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/nfs/dbraw/zinc/51/34/55/539513455.db2.gz NDHOEGOHZYKTAA-UHFFFAOYSA-N 1 2 365.349 2.405 20 5 FEBDLO O=[N+]([O-])c1cc(CN2CC[NH+](Cc3ccco3)CC2)c2c(c1)COCO2 ZINC000016442146 539632103 /nfs/dbraw/zinc/63/21/03/539632103.db2.gz GZYQUKJWXOUGJS-UHFFFAOYSA-N 1 2 359.382 2.372 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000017333606 539641335 /nfs/dbraw/zinc/64/13/35/539641335.db2.gz ACKVKHXAOCGOAN-UHFFFAOYSA-N 1 2 360.395 2.231 20 5 FEBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024687526 539738549 /nfs/dbraw/zinc/73/85/49/539738549.db2.gz NAKVGPDOAAUQTG-UHFFFAOYSA-N 1 2 372.406 2.318 20 5 FEBDLO CCCCNC(=O)C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000029926600 539869147 /nfs/dbraw/zinc/86/91/47/539869147.db2.gz PIHDNMIRLLCIAS-UHFFFAOYSA-N 1 2 362.430 2.162 20 5 FEBDLO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031958711 539925363 /nfs/dbraw/zinc/92/53/63/539925363.db2.gz NDCGTYPQZCAUEE-UHFFFAOYSA-N 1 2 365.455 2.392 20 5 FEBDLO Cc1sc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1[N+](=O)[O-] ZINC000031909651 539922573 /nfs/dbraw/zinc/92/25/73/539922573.db2.gz WOUCQBRWDVKMNU-UHFFFAOYSA-N 1 2 362.411 2.126 20 5 FEBDLO Cn1ncc2c1CCC[C@H]2NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032166622 539930583 /nfs/dbraw/zinc/93/05/83/539930583.db2.gz MTZZNYQKXOAZDW-CQSZACIVSA-N 1 2 366.381 2.321 20 5 FEBDLO CC(C)(C)NC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000042096936 540050920 /nfs/dbraw/zinc/05/09/20/540050920.db2.gz BMMGVKJNNUIWID-UHFFFAOYSA-N 1 2 352.410 2.161 20 5 FEBDLO CC(C)(C)NC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000042096936 540050922 /nfs/dbraw/zinc/05/09/22/540050922.db2.gz BMMGVKJNNUIWID-UHFFFAOYSA-N 1 2 352.410 2.161 20 5 FEBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000043269963 540094916 /nfs/dbraw/zinc/09/49/16/540094916.db2.gz FZHNAKAMCAUWRL-UHFFFAOYSA-N 1 2 371.441 2.199 20 5 FEBDLO Cc1c(C[NH+]2CCN(CC(=O)N3CCCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000051501449 540436418 /nfs/dbraw/zinc/43/64/18/540436418.db2.gz XNQFFSOHSVMPQH-UHFFFAOYSA-N 1 2 374.485 2.423 20 5 FEBDLO Cc1c(CN2CC[NH+](CC(=O)N3CCCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000051501449 540436421 /nfs/dbraw/zinc/43/64/21/540436421.db2.gz XNQFFSOHSVMPQH-UHFFFAOYSA-N 1 2 374.485 2.423 20 5 FEBDLO Cc1noc([C@H]2CCC[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)n1 ZINC000052862574 540495071 /nfs/dbraw/zinc/49/50/71/540495071.db2.gz UVGWOXASXKDPJB-AWEZNQCLSA-N 1 2 371.397 2.055 20 5 FEBDLO Cc1noc([C@H]2CCC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)n1 ZINC000052862574 540495075 /nfs/dbraw/zinc/49/50/75/540495075.db2.gz UVGWOXASXKDPJB-AWEZNQCLSA-N 1 2 371.397 2.055 20 5 FEBDLO CCOC(=O)N[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000052868084 540496575 /nfs/dbraw/zinc/49/65/75/540496575.db2.gz LKGLITVJLATSQJ-ZDUSSCGKSA-N 1 2 364.402 2.052 20 5 FEBDLO CCOC(=O)N[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000052868084 540496578 /nfs/dbraw/zinc/49/65/78/540496578.db2.gz LKGLITVJLATSQJ-ZDUSSCGKSA-N 1 2 364.402 2.052 20 5 FEBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1[nH+]ccn1CC(F)(F)F ZINC000057743271 540812777 /nfs/dbraw/zinc/81/27/77/540812777.db2.gz OCTADMBICJOZMT-UHFFFAOYSA-N 1 2 354.244 2.150 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)s1 ZINC000066327349 541302200 /nfs/dbraw/zinc/30/22/00/541302200.db2.gz RHBJYYZYTLJXBI-NSHDSACASA-N 1 2 371.440 2.365 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+](CCO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000070927166 541752626 /nfs/dbraw/zinc/75/26/26/541752626.db2.gz YWCZETZHBWLELW-UHFFFAOYSA-N 1 2 359.382 2.036 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+](CCO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000070927166 541752628 /nfs/dbraw/zinc/75/26/28/541752628.db2.gz YWCZETZHBWLELW-UHFFFAOYSA-N 1 2 359.382 2.036 20 5 FEBDLO COC(=O)c1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc([N+](=O)[O-])c1 ZINC000075555631 542186863 /nfs/dbraw/zinc/18/68/63/542186863.db2.gz IYRFBKBEIZTZCB-NSHDSACASA-N 1 2 358.354 2.124 20 5 FEBDLO CC(C)C(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000076968640 542336826 /nfs/dbraw/zinc/33/68/26/542336826.db2.gz HNUXGENCBIXBIC-CYBMUJFWSA-N 1 2 362.430 2.158 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000047031856 208372726 /nfs/dbraw/zinc/37/27/26/208372726.db2.gz BUJAKEXIIWSJKF-HNNXBMFYSA-N 1 2 365.411 2.303 20 5 FEBDLO Cc1ccc2[nH+]c(CNc3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])cn2c1 ZINC000077524427 542392294 /nfs/dbraw/zinc/39/22/94/542392294.db2.gz JSAWRYSMFSPING-UHFFFAOYSA-N 1 2 350.338 2.400 20 5 FEBDLO CC(C)NC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000023823873 132374076 /nfs/dbraw/zinc/37/40/76/132374076.db2.gz LZZGEJRUKYGLPK-UHFFFAOYSA-N 1 2 374.363 2.260 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089968767 542780242 /nfs/dbraw/zinc/78/02/42/542780242.db2.gz HVOOPWIVEVIUDO-SNVBAGLBSA-N 1 2 361.320 2.311 20 5 FEBDLO C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093837747 542942575 /nfs/dbraw/zinc/94/25/75/542942575.db2.gz BBCLZWMLVHVQRT-UHFFFAOYSA-N 1 2 355.350 2.028 20 5 FEBDLO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093837747 542942577 /nfs/dbraw/zinc/94/25/77/542942577.db2.gz BBCLZWMLVHVQRT-UHFFFAOYSA-N 1 2 355.350 2.028 20 5 FEBDLO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000070709066 136138452 /nfs/dbraw/zinc/13/84/52/136138452.db2.gz VUDIKAZRNAZMKH-HUUCEWRRSA-N 1 2 360.458 2.465 20 5 FEBDLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000111125212 543382412 /nfs/dbraw/zinc/38/24/12/543382412.db2.gz ISOJQLXVIWTOFN-GOSISDBHSA-N 1 2 369.421 2.268 20 5 FEBDLO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111352849 543398483 /nfs/dbraw/zinc/39/84/83/543398483.db2.gz NZFIXRRNRULJHI-NSHDSACASA-N 1 2 361.851 2.401 20 5 FEBDLO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111352849 543398487 /nfs/dbraw/zinc/39/84/87/543398487.db2.gz NZFIXRRNRULJHI-NSHDSACASA-N 1 2 361.851 2.401 20 5 FEBDLO O=C(NCCCNc1cccc[nH+]1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000115160320 543553181 /nfs/dbraw/zinc/55/31/81/543553181.db2.gz NAJKPTMCMHANLM-UHFFFAOYSA-N 1 2 366.381 2.408 20 5 FEBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N[C@H](C)C[NH+]1CCOCC1 ZINC000121868114 543700201 /nfs/dbraw/zinc/70/02/01/543700201.db2.gz ZRRALYMDMBCERZ-LLVKDONJSA-N 1 2 355.366 2.043 20 5 FEBDLO O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000120802110 543685288 /nfs/dbraw/zinc/68/52/88/543685288.db2.gz WJECEWWVYINKDS-WMLDXEAASA-N 1 2 356.382 2.468 20 5 FEBDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000127473502 543995272 /nfs/dbraw/zinc/99/52/72/543995272.db2.gz QYKNZFTVFARPLR-UHFFFAOYSA-N 1 2 365.411 2.448 20 5 FEBDLO COCC[N@H+](CC(=O)N(C)C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130406106 544149408 /nfs/dbraw/zinc/14/94/08/544149408.db2.gz RBHJDBHWGGQBBR-UHFFFAOYSA-N 1 2 361.398 2.391 20 5 FEBDLO COCC[N@@H+](CC(=O)N(C)C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130406106 544149410 /nfs/dbraw/zinc/14/94/10/544149410.db2.gz RBHJDBHWGGQBBR-UHFFFAOYSA-N 1 2 361.398 2.391 20 5 FEBDLO COCC[N@H+]1[C@H](C)CN(c2ncc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000131861958 544209878 /nfs/dbraw/zinc/20/98/78/544209878.db2.gz KIGVHPZLWWXZOT-PHIMTYICSA-N 1 2 373.251 2.298 20 5 FEBDLO COCC[N@@H+]1[C@H](C)CN(c2ncc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000131861958 544209881 /nfs/dbraw/zinc/20/98/81/544209881.db2.gz KIGVHPZLWWXZOT-PHIMTYICSA-N 1 2 373.251 2.298 20 5 FEBDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000135575724 544353675 /nfs/dbraw/zinc/35/36/75/544353675.db2.gz OLGFIASZFBJWGZ-MRXNPFEDSA-N 1 2 369.425 2.227 20 5 FEBDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000135575724 544353677 /nfs/dbraw/zinc/35/36/77/544353677.db2.gz OLGFIASZFBJWGZ-MRXNPFEDSA-N 1 2 369.425 2.227 20 5 FEBDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000135586711 544355066 /nfs/dbraw/zinc/35/50/66/544355066.db2.gz PXKIIPLCJHIRNI-KRWDZBQOSA-N 1 2 369.425 2.227 20 5 FEBDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000135586711 544355067 /nfs/dbraw/zinc/35/50/67/544355067.db2.gz PXKIIPLCJHIRNI-KRWDZBQOSA-N 1 2 369.425 2.227 20 5 FEBDLO COc1ccccc1[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000137051409 544383978 /nfs/dbraw/zinc/38/39/78/544383978.db2.gz BRJPCVQODUKTEV-CQSZACIVSA-N 1 2 373.413 2.284 20 5 FEBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000152481872 544659831 /nfs/dbraw/zinc/65/98/31/544659831.db2.gz HCOFCTIKOCNKCN-CQSZACIVSA-N 1 2 356.382 2.154 20 5 FEBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CC[C@H](O)C1 ZINC000152304330 544636891 /nfs/dbraw/zinc/63/68/91/544636891.db2.gz RLDVVGJIPDUVQK-MFKMUULPSA-N 1 2 362.411 2.112 20 5 FEBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CC[C@H](O)C1 ZINC000152304330 544636897 /nfs/dbraw/zinc/63/68/97/544636897.db2.gz RLDVVGJIPDUVQK-MFKMUULPSA-N 1 2 362.411 2.112 20 5 FEBDLO CCOc1cc(C(=O)N(C)CCCn2cc[nH+]c2)c([N+](=O)[O-])cc1OC ZINC000154800747 544950512 /nfs/dbraw/zinc/95/05/12/544950512.db2.gz VONOJEHBDNNRJE-UHFFFAOYSA-N 1 2 362.386 2.361 20 5 FEBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000154545404 544919503 /nfs/dbraw/zinc/91/95/03/544919503.db2.gz ZHLACNUITOSHFP-GFCCVEGCSA-N 1 2 351.366 2.480 20 5 FEBDLO CCN1CC[NH+]([C@H](C)CNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000553275843 674249887 /nfs/dbraw/zinc/24/98/87/674249887.db2.gz VYPOOBCCKIKMNG-LLVKDONJSA-N 1 2 350.448 2.037 20 5 FEBDLO COC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(C)o1 ZINC000184681705 327878556 /nfs/dbraw/zinc/87/85/56/327878556.db2.gz DZVGMXWCEODBHJ-AWEZNQCLSA-N 1 2 363.370 2.421 20 5 FEBDLO COC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000184705465 327879691 /nfs/dbraw/zinc/87/96/91/327879691.db2.gz HBVZHTMDNHIUIZ-HNNXBMFYSA-N 1 2 368.411 2.247 20 5 FEBDLO Cc1nc(N2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000184937037 327890661 /nfs/dbraw/zinc/89/06/61/327890661.db2.gz ZOOJOWQPSUPLMM-UHFFFAOYSA-N 1 2 361.789 2.309 20 5 FEBDLO CSc1cccc(C(=O)NCC[N@@H+]2CCOCC2(C)C)c1[N+](=O)[O-] ZINC000188130471 328068053 /nfs/dbraw/zinc/06/80/53/328068053.db2.gz ITDFTUDVRSFNHX-UHFFFAOYSA-N 1 2 353.444 2.157 20 5 FEBDLO CSc1cccc(C(=O)NCC[N@H+]2CCOCC2(C)C)c1[N+](=O)[O-] ZINC000188130471 328068056 /nfs/dbraw/zinc/06/80/56/328068056.db2.gz ITDFTUDVRSFNHX-UHFFFAOYSA-N 1 2 353.444 2.157 20 5 FEBDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000188786824 328110775 /nfs/dbraw/zinc/11/07/75/328110775.db2.gz MVGAMSGRZZWJJZ-WBVHZDCISA-N 1 2 360.366 2.353 20 5 FEBDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000188786824 328110776 /nfs/dbraw/zinc/11/07/76/328110776.db2.gz MVGAMSGRZZWJJZ-WBVHZDCISA-N 1 2 360.366 2.353 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000189111672 328129045 /nfs/dbraw/zinc/12/90/45/328129045.db2.gz XORXHRAOTYADCN-KRWDZBQOSA-N 1 2 368.455 2.260 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000189268391 328138204 /nfs/dbraw/zinc/13/82/04/328138204.db2.gz CFHMJBKJNNYLBF-BLLLJJGKSA-N 1 2 351.403 2.289 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000189268391 328138206 /nfs/dbraw/zinc/13/82/06/328138206.db2.gz CFHMJBKJNNYLBF-BLLLJJGKSA-N 1 2 351.403 2.289 20 5 FEBDLO COc1cc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)cc([N+](=O)[O-])c1C ZINC000191458637 328266692 /nfs/dbraw/zinc/26/66/92/328266692.db2.gz HKXIIGDIOQFIET-UHFFFAOYSA-N 1 2 370.409 2.265 20 5 FEBDLO COC(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000191866730 328285796 /nfs/dbraw/zinc/28/57/96/328285796.db2.gz MJFWPKOYKGGDJB-BNOWGMLFSA-N 1 2 363.414 2.361 20 5 FEBDLO COC(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000191866730 328285797 /nfs/dbraw/zinc/28/57/97/328285797.db2.gz MJFWPKOYKGGDJB-BNOWGMLFSA-N 1 2 363.414 2.361 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000193578012 328383284 /nfs/dbraw/zinc/38/32/84/328383284.db2.gz MJALOWUCCDLUEL-LBPRGKRZSA-N 1 2 359.386 2.145 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000193578012 328383286 /nfs/dbraw/zinc/38/32/86/328383286.db2.gz MJALOWUCCDLUEL-LBPRGKRZSA-N 1 2 359.386 2.145 20 5 FEBDLO O=C(CN1CC[NH+](Cc2cccc(F)c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000014190999 324377538 /nfs/dbraw/zinc/37/75/38/324377538.db2.gz VGRLGKHEYHRVRR-UHFFFAOYSA-N 1 2 372.400 2.490 20 5 FEBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000080910374 325147421 /nfs/dbraw/zinc/14/74/21/325147421.db2.gz NFHVKWPAQMGWPX-INIZCTEOSA-N 1 2 374.441 2.106 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCN(CC(F)F)CC2)c2c(c1)COCO2 ZINC000091082911 325374049 /nfs/dbraw/zinc/37/40/49/325374049.db2.gz GGVAYOTVWWPBAM-UHFFFAOYSA-N 1 2 357.357 2.234 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCN(CC(F)F)CC2)c2c(c1)COCO2 ZINC000091082911 325374051 /nfs/dbraw/zinc/37/40/51/325374051.db2.gz GGVAYOTVWWPBAM-UHFFFAOYSA-N 1 2 357.357 2.234 20 5 FEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cccnn2)CC1 ZINC000104682450 325542693 /nfs/dbraw/zinc/54/26/93/325542693.db2.gz CMHPEEZXHCRGQV-UHFFFAOYSA-N 1 2 357.414 2.494 20 5 FEBDLO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000104774249 325545417 /nfs/dbraw/zinc/54/54/17/325545417.db2.gz HBNYADMLNSIOJD-QWRGUYRKSA-N 1 2 356.810 2.479 20 5 FEBDLO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cc[nH+]cc1O ZINC000109890012 325679969 /nfs/dbraw/zinc/67/99/69/325679969.db2.gz RILYSVAJBXUOEW-UHFFFAOYSA-N 1 2 358.310 2.022 20 5 FEBDLO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)[NH+]1CCOCC1 ZINC000117792047 326070958 /nfs/dbraw/zinc/07/09/58/326070958.db2.gz IXWBTJBHPVERGN-VXGBXAGGSA-N 1 2 355.822 2.016 20 5 FEBDLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866995 326109946 /nfs/dbraw/zinc/10/99/46/326109946.db2.gz QGEXKEZXZYVIQW-HNNXBMFYSA-N 1 2 355.398 2.423 20 5 FEBDLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866995 326109948 /nfs/dbraw/zinc/10/99/48/326109948.db2.gz QGEXKEZXZYVIQW-HNNXBMFYSA-N 1 2 355.398 2.423 20 5 FEBDLO Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c(C)[nH+]1 ZINC000119269386 326143209 /nfs/dbraw/zinc/14/32/09/326143209.db2.gz LJZLEOVUSYRTQR-ZDUSSCGKSA-N 1 2 358.354 2.443 20 5 FEBDLO CC(=O)N(C)C1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000119884925 326208818 /nfs/dbraw/zinc/20/88/18/326208818.db2.gz PRCKTKMMYQPRGP-UHFFFAOYSA-N 1 2 359.386 2.088 20 5 FEBDLO COCCCNC(=O)C[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000121447715 326339571 /nfs/dbraw/zinc/33/95/71/326339571.db2.gz TXFFHJGETAWENG-UHFFFAOYSA-N 1 2 361.398 2.439 20 5 FEBDLO COCCCNC(=O)C[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000121447715 326339573 /nfs/dbraw/zinc/33/95/73/326339573.db2.gz TXFFHJGETAWENG-UHFFFAOYSA-N 1 2 361.398 2.439 20 5 FEBDLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000121509553 326344170 /nfs/dbraw/zinc/34/41/70/326344170.db2.gz NGXZQYCDOIDOSL-ZDUSSCGKSA-N 1 2 355.341 2.439 20 5 FEBDLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000121509553 326344171 /nfs/dbraw/zinc/34/41/71/326344171.db2.gz NGXZQYCDOIDOSL-ZDUSSCGKSA-N 1 2 355.341 2.439 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](Cc2ccccn2)CC1 ZINC000125102861 326465340 /nfs/dbraw/zinc/46/53/40/326465340.db2.gz PPVNSLAWVCODCU-UHFFFAOYSA-N 1 2 358.373 2.016 20 5 FEBDLO C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000125374120 326470502 /nfs/dbraw/zinc/47/05/02/326470502.db2.gz LNFBLPVIDPRSIQ-LRDDRELGSA-N 1 2 362.361 2.419 20 5 FEBDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000170860824 327103121 /nfs/dbraw/zinc/10/31/21/327103121.db2.gz HLOMFSZDMAEJAR-UHFFFAOYSA-N 1 2 362.430 2.010 20 5 FEBDLO CC1(C)COCC[N@H+]1CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000170860824 327103122 /nfs/dbraw/zinc/10/31/22/327103122.db2.gz HLOMFSZDMAEJAR-UHFFFAOYSA-N 1 2 362.430 2.010 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@](O)(C(F)(F)F)C3)n2)c1 ZINC000174746236 327348080 /nfs/dbraw/zinc/34/80/80/327348080.db2.gz QFZXIOKDRRXHNA-CYBMUJFWSA-N 1 2 358.276 2.144 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@](O)(C(F)(F)F)C3)n2)c1 ZINC000174746236 327348081 /nfs/dbraw/zinc/34/80/81/327348081.db2.gz QFZXIOKDRRXHNA-CYBMUJFWSA-N 1 2 358.276 2.144 20 5 FEBDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174867765 327356542 /nfs/dbraw/zinc/35/65/42/327356542.db2.gz FSLJEBGUTYQCKT-MRXNPFEDSA-N 1 2 373.413 2.211 20 5 FEBDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174867765 327356544 /nfs/dbraw/zinc/35/65/44/327356544.db2.gz FSLJEBGUTYQCKT-MRXNPFEDSA-N 1 2 373.413 2.211 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)c1C ZINC000178279267 327576041 /nfs/dbraw/zinc/57/60/41/327576041.db2.gz YUKUPLYYYFVXKF-UHFFFAOYSA-N 1 2 355.460 2.174 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000264341949 329012194 /nfs/dbraw/zinc/01/21/94/329012194.db2.gz YLPFOIVHFBLARX-VXGBXAGGSA-N 1 2 353.444 2.156 20 5 FEBDLO CCOC[C@@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000265032576 329084593 /nfs/dbraw/zinc/08/45/93/329084593.db2.gz IQNXVFPPNDIOSG-GFCCVEGCSA-N 1 2 365.386 2.011 20 5 FEBDLO CCOC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000265032576 329084594 /nfs/dbraw/zinc/08/45/94/329084594.db2.gz IQNXVFPPNDIOSG-GFCCVEGCSA-N 1 2 365.386 2.011 20 5 FEBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000265307960 329112793 /nfs/dbraw/zinc/11/27/93/329112793.db2.gz QGLVZBYBCGTNCE-OAHLLOKOSA-N 1 2 369.425 2.307 20 5 FEBDLO Cc1c(NC(=O)CC[N@H+]2CC[S@](=O)[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000265590764 329141164 /nfs/dbraw/zinc/14/11/64/329141164.db2.gz HWETWUHPGIXXFI-FPJCUDJDSA-N 1 2 353.444 2.073 20 5 FEBDLO Cc1c(NC(=O)CC[N@@H+]2CC[S@](=O)[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000265590764 329141165 /nfs/dbraw/zinc/14/11/65/329141165.db2.gz HWETWUHPGIXXFI-FPJCUDJDSA-N 1 2 353.444 2.073 20 5 FEBDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000266227747 329202262 /nfs/dbraw/zinc/20/22/62/329202262.db2.gz RICBSKQXYKUKBD-UHFFFAOYSA-N 1 2 371.441 2.212 20 5 FEBDLO COc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc(OC)c1 ZINC000266995646 329281262 /nfs/dbraw/zinc/28/12/62/329281262.db2.gz BKYJJGGEWIEUEZ-UHFFFAOYSA-N 1 2 358.398 2.329 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2cn3c([nH+]2)CCCC3)c1C ZINC000268894091 329465751 /nfs/dbraw/zinc/46/57/51/329465751.db2.gz VITJDSHQVNAQBK-UHFFFAOYSA-N 1 2 364.427 2.223 20 5 FEBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272544084 329790006 /nfs/dbraw/zinc/79/00/06/329790006.db2.gz OKEHWYKARPAQPX-UHFFFAOYSA-N 1 2 358.276 2.331 20 5 FEBDLO C[C@@H]([NH2+][C@H](C)c1nncn1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000275208780 330022302 /nfs/dbraw/zinc/02/23/02/330022302.db2.gz RVAMKCBPSAFZEF-RKDXNWHRSA-N 1 2 352.782 2.055 20 5 FEBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1nncn1C ZINC000275238364 330025149 /nfs/dbraw/zinc/02/51/49/330025149.db2.gz WSRQFEOJHSLZGO-BDAKNGLRSA-N 1 2 352.782 2.055 20 5 FEBDLO CS(=O)(=O)N1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000367036225 330209686 /nfs/dbraw/zinc/20/96/86/330209686.db2.gz GDEUIORPJBLYDJ-UHFFFAOYSA-N 1 2 361.423 2.377 20 5 FEBDLO CS(=O)(=O)N1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000367036225 330209688 /nfs/dbraw/zinc/20/96/88/330209688.db2.gz GDEUIORPJBLYDJ-UHFFFAOYSA-N 1 2 361.423 2.377 20 5 FEBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000367121360 330219388 /nfs/dbraw/zinc/21/93/88/330219388.db2.gz OBVWQIVHGAEWIV-LLVKDONJSA-N 1 2 361.377 2.145 20 5 FEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000555590341 674368291 /nfs/dbraw/zinc/36/82/91/674368291.db2.gz BOWARFQDHLQCHU-GFCCVEGCSA-N 1 2 351.794 2.169 20 5 FEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000555590341 674368292 /nfs/dbraw/zinc/36/82/92/674368292.db2.gz BOWARFQDHLQCHU-GFCCVEGCSA-N 1 2 351.794 2.169 20 5 FEBDLO Cc1nc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)no1 ZINC000156905963 545674265 /nfs/dbraw/zinc/67/42/65/545674265.db2.gz CHMGVIDMUYJGIL-LLVKDONJSA-N 1 2 359.386 2.493 20 5 FEBDLO CCOCCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000157634552 545763363 /nfs/dbraw/zinc/76/33/63/545763363.db2.gz JNQXTAXYCMCGIM-KGLIPLIRSA-N 1 2 351.403 2.049 20 5 FEBDLO CCOCCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000157634552 545763360 /nfs/dbraw/zinc/76/33/60/545763360.db2.gz JNQXTAXYCMCGIM-KGLIPLIRSA-N 1 2 351.403 2.049 20 5 FEBDLO CCOCCO[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000157680613 545770409 /nfs/dbraw/zinc/77/04/09/545770409.db2.gz NFYGVZTUHOWZKI-ZDUSSCGKSA-N 1 2 371.821 2.314 20 5 FEBDLO CCOCCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000157680613 545770413 /nfs/dbraw/zinc/77/04/13/545770413.db2.gz NFYGVZTUHOWZKI-ZDUSSCGKSA-N 1 2 371.821 2.314 20 5 FEBDLO CCOCCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000157724102 545773850 /nfs/dbraw/zinc/77/38/50/545773850.db2.gz QLKSSPCSBWIZMP-BBRMVZONSA-N 1 2 351.403 2.049 20 5 FEBDLO CCOCCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000157724102 545773854 /nfs/dbraw/zinc/77/38/54/545773854.db2.gz QLKSSPCSBWIZMP-BBRMVZONSA-N 1 2 351.403 2.049 20 5 FEBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H]2C1 ZINC000158349393 545852125 /nfs/dbraw/zinc/85/21/25/545852125.db2.gz AVESDGXSUCAGFO-BZUAXINKSA-N 1 2 374.397 2.413 20 5 FEBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H]2C1 ZINC000158349393 545852134 /nfs/dbraw/zinc/85/21/34/545852134.db2.gz AVESDGXSUCAGFO-BZUAXINKSA-N 1 2 374.397 2.413 20 5 FEBDLO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[NH+](C2CC2)CC1 ZINC000159072951 545919584 /nfs/dbraw/zinc/91/95/84/545919584.db2.gz WSTVPRWGCAHEJC-UHFFFAOYSA-N 1 2 354.204 2.278 20 5 FEBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159360265 545946285 /nfs/dbraw/zinc/94/62/85/545946285.db2.gz OWQHAILAKMLHJF-HOCLYGCPSA-N 1 2 362.382 2.391 20 5 FEBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159360265 545946290 /nfs/dbraw/zinc/94/62/90/545946290.db2.gz OWQHAILAKMLHJF-HOCLYGCPSA-N 1 2 362.382 2.391 20 5 FEBDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000159523029 545960321 /nfs/dbraw/zinc/96/03/21/545960321.db2.gz NHZZBHBNGDVDHJ-MRXNPFEDSA-N 1 2 373.384 2.365 20 5 FEBDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000159523029 545960323 /nfs/dbraw/zinc/96/03/23/545960323.db2.gz NHZZBHBNGDVDHJ-MRXNPFEDSA-N 1 2 373.384 2.365 20 5 FEBDLO COc1ccc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000161393062 546125601 /nfs/dbraw/zinc/12/56/01/546125601.db2.gz ASEHZIJKGCNION-UHFFFAOYSA-N 1 2 371.397 2.348 20 5 FEBDLO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000175678331 546332588 /nfs/dbraw/zinc/33/25/88/546332588.db2.gz GNZOXDXVIVRAPO-UHFFFAOYSA-N 1 2 356.382 2.090 20 5 FEBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000480019493 561201493 /nfs/dbraw/zinc/20/14/93/561201493.db2.gz MUURJROTLAOXMQ-UHFFFAOYSA-N 1 2 358.276 2.497 20 5 FEBDLO COc1c(C)c[nH+]c(CN(C)c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])c1C ZINC000176571780 546462963 /nfs/dbraw/zinc/46/29/63/546462963.db2.gz RNNCEDUBRFINES-UHFFFAOYSA-N 1 2 369.381 2.488 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOc2ccncc21 ZINC000178382864 546784132 /nfs/dbraw/zinc/78/41/32/546784132.db2.gz QKYWZRVAFVUTQQ-UHFFFAOYSA-N 1 2 351.322 2.215 20 5 FEBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CC[C@@H](O)C1 ZINC000178702159 546835672 /nfs/dbraw/zinc/83/56/72/546835672.db2.gz RLDVVGJIPDUVQK-GXFFZTMASA-N 1 2 362.411 2.112 20 5 FEBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CC[C@@H](O)C1 ZINC000178702159 546835677 /nfs/dbraw/zinc/83/56/77/546835677.db2.gz RLDVVGJIPDUVQK-GXFFZTMASA-N 1 2 362.411 2.112 20 5 FEBDLO COc1ccccc1C[N@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000482699452 561258696 /nfs/dbraw/zinc/25/86/96/561258696.db2.gz NKEVHHMVOKNSFZ-UHFFFAOYSA-N 1 2 356.382 2.474 20 5 FEBDLO COc1ccccc1C[N@@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000482699452 561258697 /nfs/dbraw/zinc/25/86/97/561258697.db2.gz NKEVHHMVOKNSFZ-UHFFFAOYSA-N 1 2 356.382 2.474 20 5 FEBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000180670382 547155647 /nfs/dbraw/zinc/15/56/47/547155647.db2.gz VFGIDZRLAMIHMH-UHFFFAOYSA-N 1 2 355.398 2.492 20 5 FEBDLO CCC[C@](C)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(=O)OC ZINC000181709294 547365045 /nfs/dbraw/zinc/36/50/45/547365045.db2.gz YLQZQYVIGPXSQV-INIZCTEOSA-N 1 2 355.366 2.384 20 5 FEBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000183907437 547737809 /nfs/dbraw/zinc/73/78/09/547737809.db2.gz AWLSHKHTFFXULO-KRWDZBQOSA-N 1 2 357.366 2.140 20 5 FEBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000183907437 547737810 /nfs/dbraw/zinc/73/78/10/547737810.db2.gz AWLSHKHTFFXULO-KRWDZBQOSA-N 1 2 357.366 2.140 20 5 FEBDLO CC/C=C/CC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000184402726 547820529 /nfs/dbraw/zinc/82/05/29/547820529.db2.gz NWQHVIILSPDHEY-ONEGZZNKSA-N 1 2 353.444 2.257 20 5 FEBDLO NC(=O)c1ccc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000186078067 548080718 /nfs/dbraw/zinc/08/07/18/548080718.db2.gz FCMVMWPLUUZZFW-UHFFFAOYSA-N 1 2 359.304 2.037 20 5 FEBDLO C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2cn3ccccc3[nH+]2)C1=O ZINC000192803396 548373549 /nfs/dbraw/zinc/37/35/49/548373549.db2.gz IJCISRDPNQXWFL-GOSISDBHSA-N 1 2 365.349 2.210 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(N3CC[NH+](Cc4ccccn4)CC3)n2)cc1 ZINC000486415578 561346602 /nfs/dbraw/zinc/34/66/02/561346602.db2.gz AKCLYTHCVFZLRY-UHFFFAOYSA-N 1 2 366.381 2.362 20 5 FEBDLO CC[C@@H]1C[N@H+](CCNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CCO1 ZINC000488929716 561399857 /nfs/dbraw/zinc/39/98/57/561399857.db2.gz HMBGSBTZUNVGDR-CQSZACIVSA-N 1 2 350.419 2.444 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CCO1 ZINC000488929716 561399858 /nfs/dbraw/zinc/39/98/58/561399858.db2.gz HMBGSBTZUNVGDR-CQSZACIVSA-N 1 2 350.419 2.444 20 5 FEBDLO COc1ccccc1C[N@H+](CCO)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000489254957 561406604 /nfs/dbraw/zinc/40/66/04/561406604.db2.gz PRAXEBKXKSXYMH-UHFFFAOYSA-N 1 2 373.409 2.345 20 5 FEBDLO COc1ccccc1C[N@@H+](CCO)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000489254957 561406605 /nfs/dbraw/zinc/40/66/05/561406605.db2.gz PRAXEBKXKSXYMH-UHFFFAOYSA-N 1 2 373.409 2.345 20 5 FEBDLO COCC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCO[C@@H]1C ZINC000489456477 561411728 /nfs/dbraw/zinc/41/17/28/561411728.db2.gz ORFLWLOQTWMPLJ-DOMZBBRYSA-N 1 2 362.386 2.271 20 5 FEBDLO COCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCO[C@@H]1C ZINC000489456477 561411729 /nfs/dbraw/zinc/41/17/29/561411729.db2.gz ORFLWLOQTWMPLJ-DOMZBBRYSA-N 1 2 362.386 2.271 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000249079398 549546962 /nfs/dbraw/zinc/54/69/62/549546962.db2.gz MJFWPKOYKGGDJB-KWCYVHTRSA-N 1 2 363.414 2.361 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000249079398 549546966 /nfs/dbraw/zinc/54/69/66/549546966.db2.gz MJFWPKOYKGGDJB-KWCYVHTRSA-N 1 2 363.414 2.361 20 5 FEBDLO Cc1nn(CCC(=O)NCCn2c(C)[nH+]c3ccccc32)c(C)c1[N+](=O)[O-] ZINC000263647071 549912300 /nfs/dbraw/zinc/91/23/00/549912300.db2.gz FRRBDPBMIWVZDI-UHFFFAOYSA-N 1 2 370.413 2.273 20 5 FEBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000263763304 549933365 /nfs/dbraw/zinc/93/33/65/549933365.db2.gz DPIUATOELFTRTE-DOMZBBRYSA-N 1 2 371.397 2.190 20 5 FEBDLO COc1ccc(OCC[N@@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])c1 ZINC000268427773 550064098 /nfs/dbraw/zinc/06/40/98/550064098.db2.gz DZRPULGUKNIJEQ-ZDUSSCGKSA-N 1 2 361.402 2.288 20 5 FEBDLO COc1ccc(OCC[N@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])c1 ZINC000268427773 550064101 /nfs/dbraw/zinc/06/41/01/550064101.db2.gz DZRPULGUKNIJEQ-ZDUSSCGKSA-N 1 2 361.402 2.288 20 5 FEBDLO COc1cc(C[NH2+]Cc2ccn(C)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493708259 561457843 /nfs/dbraw/zinc/45/78/43/561457843.db2.gz QXXBADOCMAEAIQ-UHFFFAOYSA-N 1 2 356.329 2.271 20 5 FEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C ZINC000493767066 561458131 /nfs/dbraw/zinc/45/81/31/561458131.db2.gz LVWDWPOQWUCQRA-UONOGXRCSA-N 1 2 355.460 2.315 20 5 FEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C ZINC000493767066 561458132 /nfs/dbraw/zinc/45/81/32/561458132.db2.gz LVWDWPOQWUCQRA-UONOGXRCSA-N 1 2 355.460 2.315 20 5 FEBDLO COc1ccc(NC(=O)CC[N@H+](C)CC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC000270683232 550296308 /nfs/dbraw/zinc/29/63/08/550296308.db2.gz ADVWOJXJDLZUOL-UHFFFAOYSA-N 1 2 367.402 2.206 20 5 FEBDLO COc1ccc(NC(=O)CC[N@@H+](C)CC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC000270683232 550296311 /nfs/dbraw/zinc/29/63/11/550296311.db2.gz ADVWOJXJDLZUOL-UHFFFAOYSA-N 1 2 367.402 2.206 20 5 FEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000270938902 550323164 /nfs/dbraw/zinc/32/31/64/550323164.db2.gz YBPZHHPWMFYTAK-CYBMUJFWSA-N 1 2 356.382 2.214 20 5 FEBDLO O=C(NC[C@H]1COC2(CCCC2)O1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000271540623 550383408 /nfs/dbraw/zinc/38/34/08/550383408.db2.gz JXIDAUMSEAGDDQ-AWEZNQCLSA-N 1 2 372.381 2.196 20 5 FEBDLO COC(=O)c1cnc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000276689904 550585730 /nfs/dbraw/zinc/58/57/30/550585730.db2.gz GYGQCERMVNMMKB-ZDUSSCGKSA-N 1 2 371.397 2.055 20 5 FEBDLO C[C@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCS1 ZINC000277002513 550620651 /nfs/dbraw/zinc/62/06/51/550620651.db2.gz WOMRUGKWRXENEL-JTQLQIEISA-N 1 2 353.400 2.089 20 5 FEBDLO C[C@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCS1 ZINC000277002513 550620653 /nfs/dbraw/zinc/62/06/53/550620653.db2.gz WOMRUGKWRXENEL-JTQLQIEISA-N 1 2 353.400 2.089 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000277574872 550686436 /nfs/dbraw/zinc/68/64/36/550686436.db2.gz RYHSIMPSJDVNSE-HNNXBMFYSA-N 1 2 373.413 2.357 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000277574872 550686437 /nfs/dbraw/zinc/68/64/37/550686437.db2.gz RYHSIMPSJDVNSE-HNNXBMFYSA-N 1 2 373.413 2.357 20 5 FEBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000278490915 550791879 /nfs/dbraw/zinc/79/18/79/550791879.db2.gz HDQAERQVGNRMIX-UHFFFAOYSA-N 1 2 374.397 2.308 20 5 FEBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000279253372 550870081 /nfs/dbraw/zinc/87/00/81/550870081.db2.gz AFSSHPUEHOPEQH-CYBMUJFWSA-N 1 2 356.382 2.397 20 5 FEBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C[C@@H](C)O2 ZINC000279670690 550915159 /nfs/dbraw/zinc/91/51/59/550915159.db2.gz DKMZMHVPGLUVAP-FHSNZYRGSA-N 1 2 364.398 2.230 20 5 FEBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C[C@@H](C)O2 ZINC000279670690 550915160 /nfs/dbraw/zinc/91/51/60/550915160.db2.gz DKMZMHVPGLUVAP-FHSNZYRGSA-N 1 2 364.398 2.230 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280340616 550982618 /nfs/dbraw/zinc/98/26/18/550982618.db2.gz IIWZHFGPPXQEJA-SCLBCKFNSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280340616 550982619 /nfs/dbraw/zinc/98/26/19/550982619.db2.gz IIWZHFGPPXQEJA-SCLBCKFNSA-N 1 2 363.414 2.192 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000282652889 551256352 /nfs/dbraw/zinc/25/63/52/551256352.db2.gz MRDLLXUCJBMMQO-QGZVFWFLSA-N 1 2 365.430 2.080 20 5 FEBDLO COCCCn1nccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000282802859 551271882 /nfs/dbraw/zinc/27/18/82/551271882.db2.gz NHEYLRDJXCTEEN-UHFFFAOYSA-N 1 2 359.430 2.150 20 5 FEBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)n2)C1 ZINC000285157810 551712517 /nfs/dbraw/zinc/71/25/17/551712517.db2.gz QPBSCRLOQLDZTO-VIFPVBQESA-N 1 2 350.404 2.259 20 5 FEBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)n2)C1 ZINC000285157810 551712518 /nfs/dbraw/zinc/71/25/18/551712518.db2.gz QPBSCRLOQLDZTO-VIFPVBQESA-N 1 2 350.404 2.259 20 5 FEBDLO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1nncn1C ZINC000285267048 551728977 /nfs/dbraw/zinc/72/89/77/551728977.db2.gz DLVINVFGQYKRBX-CQSZACIVSA-N 1 2 366.809 2.302 20 5 FEBDLO Cn1nccc1C1=CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000285629911 551785994 /nfs/dbraw/zinc/78/59/94/551785994.db2.gz NUVHUQLKOVSXGL-UHFFFAOYSA-N 1 2 367.409 2.007 20 5 FEBDLO Cn1nccc1C1=CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000285629911 551785995 /nfs/dbraw/zinc/78/59/95/551785995.db2.gz NUVHUQLKOVSXGL-UHFFFAOYSA-N 1 2 367.409 2.007 20 5 FEBDLO CC[C@@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC000285888097 551823753 /nfs/dbraw/zinc/82/37/53/551823753.db2.gz JWNZHUQQSDVYKD-YZYGWBJASA-N 1 2 356.444 2.214 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC000285888097 551823754 /nfs/dbraw/zinc/82/37/54/551823754.db2.gz JWNZHUQQSDVYKD-YZYGWBJASA-N 1 2 356.444 2.214 20 5 FEBDLO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286370775 551879788 /nfs/dbraw/zinc/87/97/88/551879788.db2.gz JVGMXDDCNMZOIN-CYBMUJFWSA-N 1 2 362.373 2.107 20 5 FEBDLO CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286370775 551879790 /nfs/dbraw/zinc/87/97/90/551879790.db2.gz JVGMXDDCNMZOIN-CYBMUJFWSA-N 1 2 362.373 2.107 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000286632268 551908446 /nfs/dbraw/zinc/90/84/46/551908446.db2.gz CXCQCZCGBZCIMF-VXGBXAGGSA-N 1 2 353.806 2.183 20 5 FEBDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000286967510 551945700 /nfs/dbraw/zinc/94/57/00/551945700.db2.gz NSTOEVKBWMUOKQ-CQSZACIVSA-N 1 2 364.402 2.052 20 5 FEBDLO CNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000286967510 551945702 /nfs/dbraw/zinc/94/57/02/551945702.db2.gz NSTOEVKBWMUOKQ-CQSZACIVSA-N 1 2 364.402 2.052 20 5 FEBDLO COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc[nH+]c(C)c2)cc1OC ZINC000500299149 561569819 /nfs/dbraw/zinc/56/98/19/561569819.db2.gz QNIIANCPFXDOQZ-UHFFFAOYSA-N 1 2 361.354 2.006 20 5 FEBDLO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)N1 ZINC000289336468 552303538 /nfs/dbraw/zinc/30/35/38/552303538.db2.gz FGQVCNQFYZCYRK-AWEZNQCLSA-N 1 2 373.196 2.076 20 5 FEBDLO O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)N1 ZINC000289336468 552303539 /nfs/dbraw/zinc/30/35/39/552303539.db2.gz FGQVCNQFYZCYRK-AWEZNQCLSA-N 1 2 373.196 2.076 20 5 FEBDLO C[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000500714252 561580085 /nfs/dbraw/zinc/58/00/85/561580085.db2.gz SGLAXRWMASOXLN-ZDUSSCGKSA-N 1 2 355.394 2.477 20 5 FEBDLO C[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000500714252 561580086 /nfs/dbraw/zinc/58/00/86/561580086.db2.gz SGLAXRWMASOXLN-ZDUSSCGKSA-N 1 2 355.394 2.477 20 5 FEBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H](C)O1 ZINC000501099064 561589985 /nfs/dbraw/zinc/58/99/85/561589985.db2.gz JXAFEGHYCKTDKD-CHWSQXEVSA-N 1 2 373.413 2.190 20 5 FEBDLO C[C@@H](c1ccsc1)[NH+]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290875571 552553913 /nfs/dbraw/zinc/55/39/13/552553913.db2.gz BFRJBPSNRDSRFZ-NSHDSACASA-N 1 2 361.427 2.033 20 5 FEBDLO O=[N+]([O-])c1cnc2ccccc2c1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000292067358 552690196 /nfs/dbraw/zinc/69/01/96/552690196.db2.gz WXLMQSAKTAJNBV-UHFFFAOYSA-N 1 2 368.397 2.415 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000292214575 552705206 /nfs/dbraw/zinc/70/52/06/552705206.db2.gz ULRGSAASZXBTET-AWEZNQCLSA-N 1 2 363.414 2.290 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000292214575 552705207 /nfs/dbraw/zinc/70/52/07/552705207.db2.gz ULRGSAASZXBTET-AWEZNQCLSA-N 1 2 363.414 2.290 20 5 FEBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000292989822 552778016 /nfs/dbraw/zinc/77/80/16/552778016.db2.gz CARLXPHAQXXUHA-RTBURBONSA-N 1 2 367.405 2.011 20 5 FEBDLO COc1cc[nH+]cc1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000294370458 552900918 /nfs/dbraw/zinc/90/09/18/552900918.db2.gz CGZCAISARQYXHU-UHFFFAOYSA-N 1 2 360.326 2.453 20 5 FEBDLO COCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000294652981 552924024 /nfs/dbraw/zinc/92/40/24/552924024.db2.gz GWCMDKCAPQJEOP-UHFFFAOYSA-N 1 2 361.320 2.018 20 5 FEBDLO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000295055622 552954474 /nfs/dbraw/zinc/95/44/74/552954474.db2.gz SXVWZXSTKQZHPV-CYBMUJFWSA-N 1 2 353.806 2.185 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000295221011 552971158 /nfs/dbraw/zinc/97/11/58/552971158.db2.gz HNSPXRJZLSYGFJ-CQSZACIVSA-N 1 2 364.427 2.409 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000502793176 561625682 /nfs/dbraw/zinc/62/56/82/561625682.db2.gz RVTNUZORFGSIHK-OAHLLOKOSA-N 1 2 356.444 2.393 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000502793176 561625683 /nfs/dbraw/zinc/62/56/83/561625683.db2.gz RVTNUZORFGSIHK-OAHLLOKOSA-N 1 2 356.444 2.393 20 5 FEBDLO COc1ccc(NC(=O)C[NH+]2CCC(c3ccncn3)CC2)c([N+](=O)[O-])c1 ZINC000298076322 553381016 /nfs/dbraw/zinc/38/10/16/553381016.db2.gz HGYYDOAVXPPAJB-UHFFFAOYSA-N 1 2 371.397 2.212 20 5 FEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000298111795 553385997 /nfs/dbraw/zinc/38/59/97/553385997.db2.gz OIMMJRDZUQBQHP-MRXNPFEDSA-N 1 2 364.352 2.124 20 5 FEBDLO COc1ccc(CNC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1[N+](=O)[O-] ZINC000298886949 553485179 /nfs/dbraw/zinc/48/51/79/553485179.db2.gz XEAMXEBSTURONN-UHFFFAOYSA-N 1 2 374.397 2.224 20 5 FEBDLO Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[NH+]2CCOCC2)cc1 ZINC000298947429 553493696 /nfs/dbraw/zinc/49/36/96/553493696.db2.gz HFGSLCRVBHSNJO-INIZCTEOSA-N 1 2 358.398 2.035 20 5 FEBDLO Cc1cc(N2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301170604 553628070 /nfs/dbraw/zinc/62/80/70/553628070.db2.gz DZQDPAZIUHTCGD-OAHLLOKOSA-N 1 2 360.458 2.473 20 5 FEBDLO Cc1c(CO)cc([N+](=O)[O-])c(N2CCC(n3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000301277173 553638606 /nfs/dbraw/zinc/63/86/06/553638606.db2.gz ZFWVIZFOXLYPJC-UHFFFAOYSA-N 1 2 361.358 2.342 20 5 FEBDLO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@@H+]1CCOC ZINC000301490786 553655307 /nfs/dbraw/zinc/65/53/07/553655307.db2.gz BBIYEBTXQANPHZ-NSHDSACASA-N 1 2 373.251 2.299 20 5 FEBDLO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@H+]1CCOC ZINC000301490786 553655308 /nfs/dbraw/zinc/65/53/08/553655308.db2.gz BBIYEBTXQANPHZ-NSHDSACASA-N 1 2 373.251 2.299 20 5 FEBDLO C[C@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000301901657 553690399 /nfs/dbraw/zinc/69/03/99/553690399.db2.gz VTWSFKHLOCRPLA-GXTWGEPZSA-N 1 2 364.427 2.282 20 5 FEBDLO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505541643 561673662 /nfs/dbraw/zinc/67/36/62/561673662.db2.gz AFUKNKJIDSCTEQ-KRWDZBQOSA-N 1 2 359.357 2.286 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000302612443 553723164 /nfs/dbraw/zinc/72/31/64/553723164.db2.gz FEMYQTQRVHKWOC-CQSZACIVSA-N 1 2 363.395 2.051 20 5 FEBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000505543059 561673769 /nfs/dbraw/zinc/67/37/69/561673769.db2.gz OJLIFGSCWVVBJL-MRXNPFEDSA-N 1 2 358.423 2.255 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000331189505 554228262 /nfs/dbraw/zinc/22/82/62/554228262.db2.gz VXQHBQVSVMVCMO-STQMWFEESA-N 1 2 353.444 2.073 20 5 FEBDLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509121803 561785687 /nfs/dbraw/zinc/78/56/87/561785687.db2.gz BBYZMBGTOHMUBX-JQWIXIFHSA-N 1 2 358.341 2.416 20 5 FEBDLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509121803 561785688 /nfs/dbraw/zinc/78/56/88/561785688.db2.gz BBYZMBGTOHMUBX-JQWIXIFHSA-N 1 2 358.341 2.416 20 5 FEBDLO Cc1cc(N[C@H]2CC(=O)N3CCCC[C@@H]23)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000509480855 561801538 /nfs/dbraw/zinc/80/15/38/561801538.db2.gz TXRWMXWSIHZOIT-HOTGVXAUSA-N 1 2 367.409 2.347 20 5 FEBDLO Cc1c([N+](=O)[O-])cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000363089928 555027913 /nfs/dbraw/zinc/02/79/13/555027913.db2.gz PCTWGBAWZHQJTE-UHFFFAOYSA-N 1 2 373.369 2.317 20 5 FEBDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1csc([N+](=O)[O-])c1 ZINC000363403559 555096711 /nfs/dbraw/zinc/09/67/11/555096711.db2.gz CKYUWUWQDWKGRS-OAHLLOKOSA-N 1 2 361.423 2.287 20 5 FEBDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1csc([N+](=O)[O-])c1 ZINC000363403559 555096714 /nfs/dbraw/zinc/09/67/14/555096714.db2.gz CKYUWUWQDWKGRS-OAHLLOKOSA-N 1 2 361.423 2.287 20 5 FEBDLO CCc1nc(C[NH+]2C[C@@H]3CN(c4ccc(C)cc4[N+](=O)[O-])C[C@H]3C2)no1 ZINC000365033605 555469774 /nfs/dbraw/zinc/46/97/74/555469774.db2.gz AJFWJWKAVBJQTA-ZIAGYGMSSA-N 1 2 357.414 2.417 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512844857 561917781 /nfs/dbraw/zinc/91/77/81/561917781.db2.gz PPZLMQRITXNEGJ-QWRGUYRKSA-N 1 2 373.356 2.492 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512844857 561917782 /nfs/dbraw/zinc/91/77/82/561917782.db2.gz PPZLMQRITXNEGJ-QWRGUYRKSA-N 1 2 373.356 2.492 20 5 FEBDLO CC[C@H](C)NC(=O)CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513648662 561945661 /nfs/dbraw/zinc/94/56/61/561945661.db2.gz UHWHWZHSZVDRJC-GUYCJALGSA-N 1 2 359.430 2.312 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000366372510 555825042 /nfs/dbraw/zinc/82/50/42/555825042.db2.gz CTEOCIPVNQINDW-AWEZNQCLSA-N 1 2 356.444 2.393 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000366372510 555825044 /nfs/dbraw/zinc/82/50/44/555825044.db2.gz CTEOCIPVNQINDW-AWEZNQCLSA-N 1 2 356.444 2.393 20 5 FEBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000367441926 556049951 /nfs/dbraw/zinc/04/99/51/556049951.db2.gz BLJMUAYBZJWRFK-MRXNPFEDSA-N 1 2 374.397 2.363 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000367728600 556124772 /nfs/dbraw/zinc/12/47/72/556124772.db2.gz MEJRIIZWNBCLNL-NWDGAFQWSA-N 1 2 353.806 2.183 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCN4CCOC[C@H]4C3)cs2)c1 ZINC000368285816 556268125 /nfs/dbraw/zinc/26/81/25/556268125.db2.gz XJRNPXIYAWDKHB-MRXNPFEDSA-N 1 2 360.439 2.235 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCN4CCOC[C@H]4C3)cs2)c1 ZINC000368285816 556268127 /nfs/dbraw/zinc/26/81/27/556268127.db2.gz XJRNPXIYAWDKHB-MRXNPFEDSA-N 1 2 360.439 2.235 20 5 FEBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3cnc(C4OCCO4)s3)C2)c1 ZINC000368578309 556351328 /nfs/dbraw/zinc/35/13/28/556351328.db2.gz LXFQOJIPBSOXEQ-NSHDSACASA-N 1 2 365.415 2.130 20 5 FEBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3cnc(C4OCCO4)s3)C2)c1 ZINC000368578309 556351332 /nfs/dbraw/zinc/35/13/32/556351332.db2.gz LXFQOJIPBSOXEQ-NSHDSACASA-N 1 2 365.415 2.130 20 5 FEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000368966015 556462122 /nfs/dbraw/zinc/46/21/22/556462122.db2.gz MYPCKIZHRNQTII-WFBYXXMGSA-N 1 2 355.341 2.282 20 5 FEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000368966015 556462125 /nfs/dbraw/zinc/46/21/25/556462125.db2.gz MYPCKIZHRNQTII-WFBYXXMGSA-N 1 2 355.341 2.282 20 5 FEBDLO C[NH+]1CCN(C[C@H]2CCCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000369308997 556570819 /nfs/dbraw/zinc/57/08/19/556570819.db2.gz DLAQCZJEFGBDKK-LKGOPFMKSA-N 1 2 372.469 2.094 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000369371548 556582798 /nfs/dbraw/zinc/58/27/98/556582798.db2.gz WQVINCDWOLGVHV-ZDUSSCGKSA-N 1 2 364.427 2.205 20 5 FEBDLO Cc1cc(F)cc([C@@]2(F)CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000370238686 556819529 /nfs/dbraw/zinc/81/95/29/556819529.db2.gz NGKUJOLKFORXBM-IAGOWNOFSA-N 1 2 366.368 2.170 20 5 FEBDLO Cc1cc(F)cc([C@@]2(F)CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000370238686 556819533 /nfs/dbraw/zinc/81/95/33/556819533.db2.gz NGKUJOLKFORXBM-IAGOWNOFSA-N 1 2 366.368 2.170 20 5 FEBDLO C[NH+]1CCC(Oc2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cn2)CC1 ZINC000370576568 556912592 /nfs/dbraw/zinc/91/25/92/556912592.db2.gz UCOQIORIYQFXAP-UHFFFAOYSA-N 1 2 372.381 2.421 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c1 ZINC000371390367 557170824 /nfs/dbraw/zinc/17/08/24/557170824.db2.gz WLXYGVHKZRRXOL-HNNXBMFYSA-N 1 2 368.340 2.466 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c1 ZINC000371390367 557170825 /nfs/dbraw/zinc/17/08/25/557170825.db2.gz WLXYGVHKZRRXOL-HNNXBMFYSA-N 1 2 368.340 2.466 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](O)c2ccccc2C1 ZINC000371827869 557304884 /nfs/dbraw/zinc/30/48/84/557304884.db2.gz AWGDRHXBKOCUKN-KRWDZBQOSA-N 1 2 371.393 2.481 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](O)c2ccccc2C1 ZINC000371827869 557304886 /nfs/dbraw/zinc/30/48/86/557304886.db2.gz AWGDRHXBKOCUKN-KRWDZBQOSA-N 1 2 371.393 2.481 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371962059 557340834 /nfs/dbraw/zinc/34/08/34/557340834.db2.gz ULWMFSZCHWRWCL-ZDUSSCGKSA-N 1 2 350.400 2.406 20 5 FEBDLO O=C(NCC1CC[NH+](CC(F)F)CC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000518562533 562114462 /nfs/dbraw/zinc/11/44/62/562114462.db2.gz KDACAQDHZUYHCF-UHFFFAOYSA-N 1 2 371.340 2.030 20 5 FEBDLO Cc1ccn2cc(CNC(=O)C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)[nH+]c2c1 ZINC000519019043 562123366 /nfs/dbraw/zinc/12/33/66/562123366.db2.gz NZXMFUWGRCHYTB-UHFFFAOYSA-N 1 2 367.365 2.114 20 5 FEBDLO COc1ccc(NC(=O)CN2CCC[C@H]2c2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000373175080 557643966 /nfs/dbraw/zinc/64/39/66/557643966.db2.gz FAQFROPKXZNWIA-AWEZNQCLSA-N 1 2 359.386 2.113 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000373802726 557762262 /nfs/dbraw/zinc/76/22/62/557762262.db2.gz AQGWMGPWWFTRHP-QWQRMKEZSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000373802726 557762266 /nfs/dbraw/zinc/76/22/66/557762266.db2.gz AQGWMGPWWFTRHP-QWQRMKEZSA-N 1 2 363.414 2.192 20 5 FEBDLO CC[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@]2(CCOC2)O1 ZINC000373808909 557763677 /nfs/dbraw/zinc/76/36/77/557763677.db2.gz CTSADRGMZUCXIF-CRAIPNDOSA-N 1 2 374.397 2.415 20 5 FEBDLO CC[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@]2(CCOC2)O1 ZINC000373808909 557763679 /nfs/dbraw/zinc/76/36/79/557763679.db2.gz CTSADRGMZUCXIF-CRAIPNDOSA-N 1 2 374.397 2.415 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000373808707 557763942 /nfs/dbraw/zinc/76/39/42/557763942.db2.gz BZQTWYXNHRVTHA-RDTXWAMCSA-N 1 2 363.414 2.112 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000373808707 557763944 /nfs/dbraw/zinc/76/39/44/557763944.db2.gz BZQTWYXNHRVTHA-RDTXWAMCSA-N 1 2 363.414 2.112 20 5 FEBDLO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000373905134 557783886 /nfs/dbraw/zinc/78/38/86/557783886.db2.gz KBMGZRZJPQGAHD-OAHLLOKOSA-N 1 2 362.386 2.480 20 5 FEBDLO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000373905134 557783887 /nfs/dbraw/zinc/78/38/87/557783887.db2.gz KBMGZRZJPQGAHD-OAHLLOKOSA-N 1 2 362.386 2.480 20 5 FEBDLO Cc1c(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000375064340 557972529 /nfs/dbraw/zinc/97/25/29/557972529.db2.gz IFSHLZALYRNKLD-AWEZNQCLSA-N 1 2 367.369 2.184 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375378366 558017891 /nfs/dbraw/zinc/01/78/91/558017891.db2.gz JHBSVYRAURZOEA-CQSZACIVSA-N 1 2 368.397 2.313 20 5 FEBDLO O=C([C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCCC1 ZINC000375712115 558071414 /nfs/dbraw/zinc/07/14/14/558071414.db2.gz QOUFLKYMGSDTFQ-HNNXBMFYSA-N 1 2 362.386 2.480 20 5 FEBDLO O=C([C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCCC1 ZINC000375712115 558071416 /nfs/dbraw/zinc/07/14/16/558071416.db2.gz QOUFLKYMGSDTFQ-HNNXBMFYSA-N 1 2 362.386 2.480 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000375935495 558102393 /nfs/dbraw/zinc/10/23/93/558102393.db2.gz WARBWAMITZEBNM-CQSZACIVSA-N 1 2 364.427 2.038 20 5 FEBDLO O=C(CC[N@@H+]1CCNC(=O)[C@@H]1c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000375964231 558106202 /nfs/dbraw/zinc/10/62/02/558106202.db2.gz WMDDJIINLGHKGF-INIZCTEOSA-N 1 2 374.422 2.158 20 5 FEBDLO O=C(CC[N@H+]1CCNC(=O)[C@@H]1c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000375964231 558106204 /nfs/dbraw/zinc/10/62/04/558106204.db2.gz WMDDJIINLGHKGF-INIZCTEOSA-N 1 2 374.422 2.158 20 5 FEBDLO C[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000376171211 558136377 /nfs/dbraw/zinc/13/63/77/558136377.db2.gz INQZTSOAXHFVEE-KCQAQPDRSA-N 1 2 365.405 2.159 20 5 FEBDLO CCOc1ccc(NC(=O)CN2CCC[C@@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000378480118 558567014 /nfs/dbraw/zinc/56/70/14/558567014.db2.gz DXWSEJKFHOPNMT-CQSZACIVSA-N 1 2 359.386 2.492 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000408342699 558669224 /nfs/dbraw/zinc/66/92/24/558669224.db2.gz YTGRWRNGPSCOJR-UHFFFAOYSA-N 1 2 353.444 2.070 20 5 FEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411698174 558946474 /nfs/dbraw/zinc/94/64/74/558946474.db2.gz SVLSOZGYYSGEAR-ZDUSSCGKSA-N 1 2 353.444 2.156 20 5 FEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411698174 558946475 /nfs/dbraw/zinc/94/64/75/558946475.db2.gz SVLSOZGYYSGEAR-ZDUSSCGKSA-N 1 2 353.444 2.156 20 5 FEBDLO Cn1ncc2c1CCC[N@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000411837644 558973452 /nfs/dbraw/zinc/97/34/52/558973452.db2.gz AARIFOPFZCMPAM-UHFFFAOYSA-N 1 2 354.370 2.327 20 5 FEBDLO Cn1ncc2c1CCC[N@@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000411837644 558973455 /nfs/dbraw/zinc/97/34/55/558973455.db2.gz AARIFOPFZCMPAM-UHFFFAOYSA-N 1 2 354.370 2.327 20 5 FEBDLO C[C@H](O)[C@@H]1CCN(c2cc(NCCc3ccc([N+](=O)[O-])cc3)[nH+]cn2)C1 ZINC000413081260 559076143 /nfs/dbraw/zinc/07/61/43/559076143.db2.gz ZDUANCHAKPRKIO-DZGCQCFKSA-N 1 2 357.414 2.247 20 5 FEBDLO C[C@H](O)[C@@H]1CCN(c2cc(NCCc3ccc([N+](=O)[O-])cc3)nc[nH+]2)C1 ZINC000413081260 559076144 /nfs/dbraw/zinc/07/61/44/559076144.db2.gz ZDUANCHAKPRKIO-DZGCQCFKSA-N 1 2 357.414 2.247 20 5 FEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413317854 559098421 /nfs/dbraw/zinc/09/84/21/559098421.db2.gz ZKVIYKBGIJXQDD-ZWNOBZJWSA-N 1 2 360.336 2.308 20 5 FEBDLO Cc1cc(N[C@@H]2C[C@@H]3CCCCN3C2=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413372355 559102971 /nfs/dbraw/zinc/10/29/71/559102971.db2.gz HKVVMVDRWZXCFO-JKSUJKDBSA-N 1 2 367.409 2.347 20 5 FEBDLO CN1CC[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000414119316 559149870 /nfs/dbraw/zinc/14/98/70/559149870.db2.gz CVNFFCZZXXAUNL-SFHVURJKSA-N 1 2 371.437 2.249 20 5 FEBDLO CSc1cccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000415980726 559286760 /nfs/dbraw/zinc/28/67/60/559286760.db2.gz ADMBUVWQEYSSLD-UHFFFAOYSA-N 1 2 353.444 2.157 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c(C)cc1[N+](=O)[O-] ZINC000416460915 559314718 /nfs/dbraw/zinc/31/47/18/559314718.db2.gz WTKWTQOMVXDAMS-LBPRGKRZSA-N 1 2 350.400 2.461 20 5 FEBDLO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cc(F)ccc2C[NH2+]1 ZINC000420452233 559488067 /nfs/dbraw/zinc/48/80/67/559488067.db2.gz AOBYLZQNCRSSOM-LLVKDONJSA-N 1 2 365.386 2.421 20 5 FEBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421919903 559556592 /nfs/dbraw/zinc/55/65/92/559556592.db2.gz NFAXYJBZZKYPMK-CQSZACIVSA-N 1 2 360.418 2.155 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H](n2ccnn2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000425499837 559705866 /nfs/dbraw/zinc/70/58/66/559705866.db2.gz KODCZQSNLDNYLY-GFCCVEGCSA-N 1 2 364.793 2.115 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H](n2ccnn2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000425499837 559705867 /nfs/dbraw/zinc/70/58/67/559705867.db2.gz KODCZQSNLDNYLY-GFCCVEGCSA-N 1 2 364.793 2.115 20 5 FEBDLO CC[C@](C)(C(=O)OC)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CC1 ZINC000425512390 559707136 /nfs/dbraw/zinc/70/71/36/559707136.db2.gz MZLCUJAXRCVTHT-GOSISDBHSA-N 1 2 363.414 2.247 20 5 FEBDLO CC[C@](C)(C(=O)OC)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CC1 ZINC000425512390 559707137 /nfs/dbraw/zinc/70/71/37/559707137.db2.gz MZLCUJAXRCVTHT-GOSISDBHSA-N 1 2 363.414 2.247 20 5 FEBDLO C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C(=O)OC(C)(C)C ZINC000425521054 559707667 /nfs/dbraw/zinc/70/76/67/559707667.db2.gz JIGQTXRTANMXCR-BBRMVZONSA-N 1 2 365.430 2.199 20 5 FEBDLO C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C(=O)OC(C)(C)C ZINC000425521054 559707668 /nfs/dbraw/zinc/70/76/68/559707668.db2.gz JIGQTXRTANMXCR-BBRMVZONSA-N 1 2 365.430 2.199 20 5 FEBDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432338133 559856819 /nfs/dbraw/zinc/85/68/19/559856819.db2.gz USYQJLZHZHFKGI-CQSZACIVSA-N 1 2 371.441 2.180 20 5 FEBDLO CCN1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433489585 559883053 /nfs/dbraw/zinc/88/30/53/559883053.db2.gz ZKPNBWSUEVDLFA-OAHLLOKOSA-N 1 2 368.397 2.318 20 5 FEBDLO COc1cccc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1[N+](=O)[O-] ZINC000435918829 559932355 /nfs/dbraw/zinc/93/23/55/559932355.db2.gz XQBJUHJUMYHILK-UHFFFAOYSA-N 1 2 372.381 2.396 20 5 FEBDLO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)nc2)C1 ZINC000436996700 559959067 /nfs/dbraw/zinc/95/90/67/559959067.db2.gz DUYQLANDUMHZRK-CQSZACIVSA-N 1 2 371.397 2.088 20 5 FEBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437211262 559961898 /nfs/dbraw/zinc/96/18/98/559961898.db2.gz BYRDBVXMBHALKU-JTQLQIEISA-N 1 2 361.320 2.064 20 5 FEBDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437211262 559961899 /nfs/dbraw/zinc/96/18/99/559961899.db2.gz BYRDBVXMBHALKU-JTQLQIEISA-N 1 2 361.320 2.064 20 5 FEBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000447658366 560166128 /nfs/dbraw/zinc/16/61/28/560166128.db2.gz FJSPRAAMXNGDPU-UHFFFAOYSA-N 1 2 367.471 2.256 20 5 FEBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000447658366 560166129 /nfs/dbraw/zinc/16/61/29/560166129.db2.gz FJSPRAAMXNGDPU-UHFFFAOYSA-N 1 2 367.471 2.256 20 5 FEBDLO CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000448962757 560209081 /nfs/dbraw/zinc/20/90/81/560209081.db2.gz QRQXMBXRYVMPRH-OAHLLOKOSA-N 1 2 355.398 2.294 20 5 FEBDLO CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000448962757 560209082 /nfs/dbraw/zinc/20/90/82/560209082.db2.gz QRQXMBXRYVMPRH-OAHLLOKOSA-N 1 2 355.398 2.294 20 5 FEBDLO O=C(NCCCOC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448972181 560209582 /nfs/dbraw/zinc/20/95/82/560209582.db2.gz RMUGYDJQNUGSJW-HNNXBMFYSA-N 1 2 374.397 2.096 20 5 FEBDLO Cn1cc([C@@H]2C[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])CC23CCOCC3)cn1 ZINC000449456507 560230844 /nfs/dbraw/zinc/23/08/44/560230844.db2.gz CTWALHZCTFZBSM-KRWDZBQOSA-N 1 2 372.425 2.430 20 5 FEBDLO Cn1cc([C@@H]2C[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])CC23CCOCC3)cn1 ZINC000449456507 560230845 /nfs/dbraw/zinc/23/08/45/560230845.db2.gz CTWALHZCTFZBSM-KRWDZBQOSA-N 1 2 372.425 2.430 20 5 FEBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449653802 560235693 /nfs/dbraw/zinc/23/56/93/560235693.db2.gz TXQODSKJKLRTSG-GFCCVEGCSA-N 1 2 356.373 2.148 20 5 FEBDLO CCC(=O)c1ccc(NC[C@@H]2CCC[N@H+](CC(=O)OC)C2)c([N+](=O)[O-])c1 ZINC000450541484 560265491 /nfs/dbraw/zinc/26/54/91/560265491.db2.gz SKFQNWMJPGGSFQ-ZDUSSCGKSA-N 1 2 363.414 2.484 20 5 FEBDLO CCC(=O)c1ccc(NC[C@@H]2CCC[N@@H+](CC(=O)OC)C2)c([N+](=O)[O-])c1 ZINC000450541484 560265492 /nfs/dbraw/zinc/26/54/92/560265492.db2.gz SKFQNWMJPGGSFQ-ZDUSSCGKSA-N 1 2 363.414 2.484 20 5 FEBDLO COC(=O)CNC(=O)c1ccc(NCc2c[nH+]c(C)cc2C)c([N+](=O)[O-])c1 ZINC000450908777 560278054 /nfs/dbraw/zinc/27/80/54/560278054.db2.gz NAPUYVRKWQJWCI-UHFFFAOYSA-N 1 2 372.381 2.122 20 5 FEBDLO CCOc1cc(C[N@@H+]2CCCC[C@H]2CS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000451654373 560319913 /nfs/dbraw/zinc/31/99/13/560319913.db2.gz VGFJGEHVTIQXJV-AWEZNQCLSA-N 1 2 356.444 2.393 20 5 FEBDLO CCOc1cc(C[N@H+]2CCCC[C@H]2CS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000451654373 560319914 /nfs/dbraw/zinc/31/99/14/560319914.db2.gz VGFJGEHVTIQXJV-AWEZNQCLSA-N 1 2 356.444 2.393 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451884226 560334403 /nfs/dbraw/zinc/33/44/03/560334403.db2.gz FHGVPSCLSFZFBR-IINYFYTJSA-N 1 2 361.320 2.087 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451884226 560334404 /nfs/dbraw/zinc/33/44/04/560334404.db2.gz FHGVPSCLSFZFBR-IINYFYTJSA-N 1 2 361.320 2.087 20 5 FEBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000451938965 560339341 /nfs/dbraw/zinc/33/93/41/560339341.db2.gz YKIZFRWBNFYZPZ-CQSZACIVSA-N 1 2 355.460 2.316 20 5 FEBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000451938965 560339342 /nfs/dbraw/zinc/33/93/42/560339342.db2.gz YKIZFRWBNFYZPZ-CQSZACIVSA-N 1 2 355.460 2.316 20 5 FEBDLO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2[nH+]ccn21 ZINC000451944880 560339812 /nfs/dbraw/zinc/33/98/12/560339812.db2.gz HBPBEESJWHIIPH-GZMMTYOYSA-N 1 2 356.791 2.429 20 5 FEBDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000451963846 560340950 /nfs/dbraw/zinc/34/09/50/560340950.db2.gz AKDYSDQAJJVNFJ-AWEZNQCLSA-N 1 2 355.460 2.316 20 5 FEBDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000451972412 560341440 /nfs/dbraw/zinc/34/14/40/560341440.db2.gz OHSWIYMFRZYNQT-NSHDSACASA-N 1 2 361.851 2.353 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC000454039746 560424022 /nfs/dbraw/zinc/42/40/22/560424022.db2.gz WKKIUSLYBARJFM-UHFFFAOYSA-N 1 2 372.381 2.260 20 5 FEBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454223412 560435313 /nfs/dbraw/zinc/43/53/13/560435313.db2.gz VIXBTBCPRLKNRE-TXEJJXNPSA-N 1 2 354.794 2.233 20 5 FEBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454223412 560435314 /nfs/dbraw/zinc/43/53/14/560435314.db2.gz VIXBTBCPRLKNRE-TXEJJXNPSA-N 1 2 354.794 2.233 20 5 FEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000455440955 560482313 /nfs/dbraw/zinc/48/23/13/560482313.db2.gz ALKWFRIQSYVDMX-AWEZNQCLSA-N 1 2 372.429 2.404 20 5 FEBDLO CCOC(=O)[C@H](CC(C)C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459515384 560691380 /nfs/dbraw/zinc/69/13/80/560691380.db2.gz UPMVORFAILXRPZ-HNNXBMFYSA-N 1 2 350.419 2.090 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459679390 560701910 /nfs/dbraw/zinc/70/19/10/560701910.db2.gz QGVGOKNPTSJGAK-ZFWWWQNUSA-N 1 2 361.398 2.043 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459679390 560701911 /nfs/dbraw/zinc/70/19/11/560701911.db2.gz QGVGOKNPTSJGAK-ZFWWWQNUSA-N 1 2 361.398 2.043 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CCc1noc(-c2c([N+](=O)[O-])cnn2C)n1 ZINC000460825203 560752717 /nfs/dbraw/zinc/75/27/17/560752717.db2.gz SGJYHDFQCSEPHV-UHFFFAOYSA-N 1 2 353.342 2.279 20 5 FEBDLO CC(C)(C)C(=O)NCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472364858 561025104 /nfs/dbraw/zinc/02/51/04/561025104.db2.gz YARNBHJJHKEPFN-UHFFFAOYSA-N 1 2 364.446 2.001 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000475637327 561101241 /nfs/dbraw/zinc/10/12/41/561101241.db2.gz KGFZXCJUBDJLGC-UHFFFAOYSA-N 1 2 372.429 2.295 20 5 FEBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000477013846 561134325 /nfs/dbraw/zinc/13/43/25/561134325.db2.gz TXEBBEZSVBQXGT-UHFFFAOYSA-N 1 2 372.429 2.102 20 5 FEBDLO COc1ccc(CC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000531834925 562458483 /nfs/dbraw/zinc/45/84/83/562458483.db2.gz WWCGUUBFUZPDQD-XJKSGUPXSA-N 1 2 358.398 2.452 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)nn1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000532873392 562491309 /nfs/dbraw/zinc/49/13/09/562491309.db2.gz FFNPMIBZDPISSZ-UHFFFAOYSA-N 1 2 364.365 2.375 20 5 FEBDLO Cc1c(C(=O)Nc2cc(C)[nH+]cc2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000535748092 562566557 /nfs/dbraw/zinc/56/65/57/562566557.db2.gz OGNHOTZPDGVMNR-UHFFFAOYSA-N 1 2 352.354 2.170 20 5 FEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000550105161 562642550 /nfs/dbraw/zinc/64/25/50/562642550.db2.gz MMKJPVIFXDKIAE-UHFFFAOYSA-N 1 2 354.428 2.091 20 5 FEBDLO O=[N+]([O-])c1cccc2c1CCN(c1cc(N3CCCC[C@@H]3CO)nc[nH+]1)C2 ZINC000569301913 568346652 /nfs/dbraw/zinc/34/66/52/568346652.db2.gz UWWKZZIXXRVAQX-OAHLLOKOSA-N 1 2 369.425 2.299 20 5 FEBDLO O=[N+]([O-])c1cccc2c1CCN(c1cc(N3CCCC[C@@H]3CO)[nH+]cn1)C2 ZINC000569301913 568346653 /nfs/dbraw/zinc/34/66/53/568346653.db2.gz UWWKZZIXXRVAQX-OAHLLOKOSA-N 1 2 369.425 2.299 20 5 FEBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cccc(-c3nn[nH]n3)c1F)C2 ZINC000826500147 608416295 /nfs/dbraw/zinc/41/62/95/608416295.db2.gz MVEPNRWOLSQBFC-UHFFFAOYSA-N 1 2 354.345 2.472 20 5 FEBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cccc(-c3nn[nH]n3)c1F)C2 ZINC000826500147 608416296 /nfs/dbraw/zinc/41/62/96/608416296.db2.gz MVEPNRWOLSQBFC-UHFFFAOYSA-N 1 2 354.345 2.472 20 5 FEBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000826501030 608498601 /nfs/dbraw/zinc/49/86/01/608498601.db2.gz WKKNSNNLLIWUFA-UHFFFAOYSA-N 1 2 371.426 2.159 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000564356503 675000686 /nfs/dbraw/zinc/00/06/86/675000686.db2.gz PMUQZSUJEJLGTI-UONOGXRCSA-N 1 2 365.455 2.009 20 5 FEBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000577706683 671614756 /nfs/dbraw/zinc/61/47/56/671614756.db2.gz DRLLYCURSFFASF-CYBMUJFWSA-N 1 2 351.428 2.456 20 5 FEBDLO C[C@H](CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[S@@](C)=O ZINC000581087420 671862331 /nfs/dbraw/zinc/86/23/31/671862331.db2.gz LXHRWACCKGEWSN-MHGHZUBYSA-N 1 2 350.444 2.164 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CCCn1cc[nH+]c1 ZINC000124923329 672003949 /nfs/dbraw/zinc/00/39/49/672003949.db2.gz ARHVTRTVZNJIPZ-UHFFFAOYSA-N 1 2 372.834 2.464 20 5 FEBDLO CN(C[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1)C(=O)OC(C)(C)C ZINC000151915284 672171587 /nfs/dbraw/zinc/17/15/87/672171587.db2.gz BSKJJAPTFZDYCF-ZDUSSCGKSA-N 1 2 353.423 2.328 20 5 FEBDLO CN(C[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1)C(=O)OC(C)(C)C ZINC000151915284 672171591 /nfs/dbraw/zinc/17/15/91/672171591.db2.gz BSKJJAPTFZDYCF-ZDUSSCGKSA-N 1 2 353.423 2.328 20 5 FEBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1c[nH+]c(C)cc1C ZINC000590764928 672615062 /nfs/dbraw/zinc/61/50/62/672615062.db2.gz AWBSFWMEEVFWOB-UHFFFAOYSA-N 1 2 351.384 2.094 20 5 FEBDLO Cc1sc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000613475565 676130709 /nfs/dbraw/zinc/13/07/09/676130709.db2.gz HIBCREMJMXJFTB-LLVKDONJSA-N 1 2 356.429 2.187 20 5 FEBDLO O=[N+]([O-])c1cccc(Br)c1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000596111943 673359575 /nfs/dbraw/zinc/35/95/75/673359575.db2.gz FBOKKPAHOHSLEQ-TZMCWYRMSA-N 1 2 370.247 2.393 20 5 FEBDLO CSc1ccc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000598000970 673529042 /nfs/dbraw/zinc/52/90/42/673529042.db2.gz WLCXETOTNLPQJB-VXGBXAGGSA-N 1 2 353.444 2.156 20 5 FEBDLO CSc1ccc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000598000970 673529046 /nfs/dbraw/zinc/52/90/46/673529046.db2.gz WLCXETOTNLPQJB-VXGBXAGGSA-N 1 2 353.444 2.156 20 5 FEBDLO Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000598599017 673587792 /nfs/dbraw/zinc/58/77/92/673587792.db2.gz WTTUWZIRQFAPDU-CYBMUJFWSA-N 1 2 367.427 2.386 20 5 FEBDLO Cc1ccc(S(=O)(=O)NC[C@H](C)Cn2cc[nH+]c2)c(C)c1[N+](=O)[O-] ZINC000598734898 673604623 /nfs/dbraw/zinc/60/46/23/673604623.db2.gz QIYGKHIZYUSGHP-NSHDSACASA-N 1 2 352.416 2.023 20 5 FEBDLO Cc1ccc(S(=O)(=O)Nc2cc(C[NH+](C)C)ccn2)c(C)c1[N+](=O)[O-] ZINC000598735688 673604792 /nfs/dbraw/zinc/60/47/92/673604792.db2.gz ZRCIWQMDBJCQHY-UHFFFAOYSA-N 1 2 364.427 2.469 20 5 FEBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598948087 673624476 /nfs/dbraw/zinc/62/44/76/673624476.db2.gz OTOFMSBWTQMYPS-PWSUYJOCSA-N 1 2 364.789 2.343 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)[S@@]4=O)n2)cc1 ZINC000599631766 673699483 /nfs/dbraw/zinc/69/94/83/673699483.db2.gz AHBJGSGGPGUMCR-PJGQNWHFSA-N 1 2 362.411 2.130 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[S@@]4=O)n2)cc1 ZINC000599631766 673699488 /nfs/dbraw/zinc/69/94/88/673699488.db2.gz AHBJGSGGPGUMCR-PJGQNWHFSA-N 1 2 362.411 2.130 20 5 FEBDLO CC[C@@H]1C[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CCS1 ZINC000743399603 673758948 /nfs/dbraw/zinc/75/89/48/673758948.db2.gz DPGABRFYJPKGPE-CQSZACIVSA-N 1 2 364.427 2.148 20 5 FEBDLO CC[C@@H]1C[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CCS1 ZINC000743399603 673758949 /nfs/dbraw/zinc/75/89/49/673758949.db2.gz DPGABRFYJPKGPE-CQSZACIVSA-N 1 2 364.427 2.148 20 5 FEBDLO C[C@H](NCc1cc(Br)c([N+](=O)[O-])s1)[C@H]1C[N@H+](C)CCO1 ZINC000602576407 673908336 /nfs/dbraw/zinc/90/83/36/673908336.db2.gz NAQXLJTYPGVNGS-GZMMTYOYSA-N 1 2 364.265 2.228 20 5 FEBDLO C[C@H](NCc1cc(Br)c([N+](=O)[O-])s1)[C@H]1C[N@@H+](C)CCO1 ZINC000602576407 673908338 /nfs/dbraw/zinc/90/83/38/673908338.db2.gz NAQXLJTYPGVNGS-GZMMTYOYSA-N 1 2 364.265 2.228 20 5 FEBDLO Cn1cc(C[NH2+][C@@H](CCO)c2ccccc2Br)c([N+](=O)[O-])n1 ZINC000602806221 673911315 /nfs/dbraw/zinc/91/13/15/673911315.db2.gz MMQDVPVEXKFTIA-ZDUSSCGKSA-N 1 2 369.219 2.304 20 5 FEBDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000603275800 673921225 /nfs/dbraw/zinc/92/12/25/673921225.db2.gz QMWDGSYNRRTIRF-UHFFFAOYSA-N 1 2 361.423 2.061 20 5 FEBDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000603275800 673921230 /nfs/dbraw/zinc/92/12/30/673921230.db2.gz QMWDGSYNRRTIRF-UHFFFAOYSA-N 1 2 361.423 2.061 20 5 FEBDLO O=C1NC2(CO1)CC[NH+](Cc1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC000822840688 675510483 /nfs/dbraw/zinc/51/04/83/675510483.db2.gz AUVNIFQOZDVYKK-UHFFFAOYSA-N 1 2 370.203 2.432 20 5 FEBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000830162077 677028138 /nfs/dbraw/zinc/02/81/38/677028138.db2.gz DQPHKDSHAIOMND-GFCCVEGCSA-N 1 2 353.444 2.157 20 5 FEBDLO CNC(=O)NC1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000839667711 680770435 /nfs/dbraw/zinc/77/04/35/680770435.db2.gz YHLXULXTPLGZSU-UHFFFAOYSA-N 1 2 371.235 2.251 20 5 FEBDLO CN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)C(C)(C)C[NH+]1CCOCC1 ZINC000840568536 680832360 /nfs/dbraw/zinc/83/23/60/680832360.db2.gz ONCPTXHLQXXKEF-UHFFFAOYSA-N 1 2 357.357 2.056 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](C/C(Cl)=C/Cl)C2)CC1 ZINC001035187472 680443642 /nfs/dbraw/zinc/44/36/42/680443642.db2.gz UFOWFCTWWLXSKZ-FUTHCOOYSA-N 1 2 362.257 2.285 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@@H+](C/C(Cl)=C/Cl)C2)CC1 ZINC001035187472 680443647 /nfs/dbraw/zinc/44/36/47/680443647.db2.gz UFOWFCTWWLXSKZ-FUTHCOOYSA-N 1 2 362.257 2.285 20 5 FEBDLO O=C(NCC1CC[NH+](Cc2c(F)cccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001400409 680460448 /nfs/dbraw/zinc/46/04/48/680460448.db2.gz REKLHLMTXSUYMR-MLGOLLRUSA-N 1 2 369.824 2.473 20 5 FEBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC001005378129 680573461 /nfs/dbraw/zinc/57/34/61/680573461.db2.gz JIPONNQQUAPXHP-MLGOLLRUSA-N 1 2 353.369 2.053 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)c1F ZINC000841346589 680874115 /nfs/dbraw/zinc/87/41/15/680874115.db2.gz DMYJCVQXLYEYGY-UHFFFAOYSA-N 1 2 353.394 2.225 20 5 FEBDLO C[C@H]1CSCCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000934306280 681549260 /nfs/dbraw/zinc/54/92/60/681549260.db2.gz XIOCLIVHPKMLFG-JTQLQIEISA-N 1 2 353.400 2.089 20 5 FEBDLO C[C@H]1CSCCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000934306280 681549265 /nfs/dbraw/zinc/54/92/65/681549265.db2.gz XIOCLIVHPKMLFG-JTQLQIEISA-N 1 2 353.400 2.089 20 5 FEBDLO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000778257408 681589949 /nfs/dbraw/zinc/58/99/49/681589949.db2.gz GXVUJDVEVMAVBJ-LLVKDONJSA-N 1 2 358.383 2.273 20 5 FEBDLO Cc1cc(Cl)c(C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000913460491 685477910 /nfs/dbraw/zinc/47/79/10/685477910.db2.gz OJNNVTRXXQOYBR-AWEZNQCLSA-N 1 2 363.805 2.077 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000935933765 681858173 /nfs/dbraw/zinc/85/81/73/681858173.db2.gz NPQICWCBBJSZFV-JSGCOSHPSA-N 1 2 365.455 2.252 20 5 FEBDLO C[C@]1(C(F)F)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000852784320 682342757 /nfs/dbraw/zinc/34/27/57/682342757.db2.gz ITWSBLJCLLFWCG-OAHLLOKOSA-N 1 2 361.320 2.419 20 5 FEBDLO C[C@]1(C(F)F)C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000852784320 682342758 /nfs/dbraw/zinc/34/27/58/682342758.db2.gz ITWSBLJCLLFWCG-OAHLLOKOSA-N 1 2 361.320 2.419 20 5 FEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[C@@H](C)C1 ZINC000796066055 683124403 /nfs/dbraw/zinc/12/44/03/683124403.db2.gz AHXOYAVFNWRIEG-NSHDSACASA-N 1 2 361.851 2.271 20 5 FEBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[C@@H](C)C1 ZINC000796066055 683124409 /nfs/dbraw/zinc/12/44/09/683124409.db2.gz AHXOYAVFNWRIEG-NSHDSACASA-N 1 2 361.851 2.271 20 5 FEBDLO NC(=O)[C@H](F)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000931219473 684243035 /nfs/dbraw/zinc/24/30/35/684243035.db2.gz IXGCLEIWFAJQQX-CYBMUJFWSA-N 1 2 374.210 2.393 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925245552 684543588 /nfs/dbraw/zinc/54/35/88/684543588.db2.gz GHTYSUQMYYGUTK-MELADBBJSA-N 1 2 350.419 2.064 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925245552 684543592 /nfs/dbraw/zinc/54/35/92/684543592.db2.gz GHTYSUQMYYGUTK-MELADBBJSA-N 1 2 350.419 2.064 20 5 FEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000878091820 686518443 /nfs/dbraw/zinc/51/84/43/686518443.db2.gz JGVAFNSSIFNAJZ-GFCCVEGCSA-N 1 2 353.423 2.041 20 5 FEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000878091820 686518464 /nfs/dbraw/zinc/51/84/64/686518464.db2.gz JGVAFNSSIFNAJZ-GFCCVEGCSA-N 1 2 353.423 2.041 20 5 FEBDLO NC(=O)[C@H](F)C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000879045287 686724010 /nfs/dbraw/zinc/72/40/10/686724010.db2.gz XTGMBQHIBJWCRY-CYBMUJFWSA-N 1 2 374.210 2.393 20 5 FEBDLO CC(C)(C)OC(=O)C[NH+]1CCC(Nc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882698439 687445699 /nfs/dbraw/zinc/44/56/99/687445699.db2.gz IFHKRBKMSPCOOX-UHFFFAOYSA-N 1 2 354.382 2.347 20 5 FEBDLO COc1c(O)ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1[N+](=O)[O-] ZINC000894196600 689484895 /nfs/dbraw/zinc/48/48/95/689484895.db2.gz WMIDUKLMTSDKDY-YVEFUNNKSA-N 1 2 352.387 2.079 20 5 FEBDLO COc1c(O)ccc(C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1[N+](=O)[O-] ZINC000894196600 689484900 /nfs/dbraw/zinc/48/49/00/689484900.db2.gz WMIDUKLMTSDKDY-YVEFUNNKSA-N 1 2 352.387 2.079 20 5 FEBDLO COc1c(O)ccc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000896061033 689814135 /nfs/dbraw/zinc/81/41/35/689814135.db2.gz TWZQVGJZCSWBLY-CYBMUJFWSA-N 1 2 350.293 2.056 20 5 FEBDLO COc1c(O)ccc(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000896061033 689814137 /nfs/dbraw/zinc/81/41/37/689814137.db2.gz TWZQVGJZCSWBLY-CYBMUJFWSA-N 1 2 350.293 2.056 20 5 FEBDLO CCS(=O)(=O)N(CCCc1c[nH+]cn1C)c1ccc([N+](=O)[O-])cc1C ZINC000902594002 690783645 /nfs/dbraw/zinc/78/36/45/690783645.db2.gz ZOZUETDHEXIWBS-UHFFFAOYSA-N 1 2 366.443 2.426 20 5 FEBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000902650306 690793278 /nfs/dbraw/zinc/79/32/78/690793278.db2.gz ZMYMOAOBCHCNSI-NSHDSACASA-N 1 2 360.395 2.481 20 5 FEBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000902650306 690793281 /nfs/dbraw/zinc/79/32/81/690793281.db2.gz ZMYMOAOBCHCNSI-NSHDSACASA-N 1 2 360.395 2.481 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000907835624 691568150 /nfs/dbraw/zinc/56/81/50/691568150.db2.gz IQWJFUAUYJHNDK-CYBMUJFWSA-N 1 2 369.849 2.360 20 5 FEBDLO Cc1ccnc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1[N+](=O)[O-] ZINC001165011224 721697482 /nfs/dbraw/zinc/69/74/82/721697482.db2.gz ZKHVICVDEMPTKC-UHFFFAOYSA-N 1 2 359.434 2.140 20 5 FEBDLO Cc1ccnc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1[N+](=O)[O-] ZINC001165011224 721697488 /nfs/dbraw/zinc/69/74/88/721697488.db2.gz ZKHVICVDEMPTKC-UHFFFAOYSA-N 1 2 359.434 2.140 20 5 FEBDLO Cc1[nH]c2ccc(NC(=O)CNC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2[nH+]1 ZINC000010896465 539521662 /nfs/dbraw/zinc/52/16/62/539521662.db2.gz UXCRBDAXROGCHJ-UHFFFAOYSA-N 1 2 367.365 2.456 20 5 FEBDLO C[C@H](Sc1[nH+]cnc2c1cnn2C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000011681273 539533039 /nfs/dbraw/zinc/53/30/39/539533039.db2.gz ZHHUJCBYCWBJKY-VIFPVBQESA-N 1 2 358.383 2.391 20 5 FEBDLO O=C(CCNc1ccccc1[N+](=O)[O-])NCCc1cn2ccccc2[nH+]1 ZINC000012670214 539570154 /nfs/dbraw/zinc/57/01/54/539570154.db2.gz SBEKPNGHLBNIIV-UHFFFAOYSA-N 1 2 353.382 2.403 20 5 FEBDLO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccsc2)CC1 ZINC000030540560 539885329 /nfs/dbraw/zinc/88/53/29/539885329.db2.gz QHSIWICPRKQKBF-UHFFFAOYSA-N 1 2 361.423 2.380 20 5 FEBDLO COc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1[N+](=O)[O-] ZINC000033044908 539965331 /nfs/dbraw/zinc/96/53/31/539965331.db2.gz ABBWCPCXDXADNH-UHFFFAOYSA-N 1 2 353.338 2.114 20 5 FEBDLO CCC(C)(C)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000038426824 539998872 /nfs/dbraw/zinc/99/88/72/539998872.db2.gz LKSKANROFLSLJO-UHFFFAOYSA-N 1 2 370.475 2.131 20 5 FEBDLO CN(C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000047745129 540327101 /nfs/dbraw/zinc/32/71/01/540327101.db2.gz SPHVOONIDGNIAL-UHFFFAOYSA-N 1 2 354.410 2.380 20 5 FEBDLO Cc1c(C[NH+]2CCN(CC(=O)N3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000051149445 540424057 /nfs/dbraw/zinc/42/40/57/540424057.db2.gz FUKAGIBJENSEJF-UHFFFAOYSA-N 1 2 360.458 2.033 20 5 FEBDLO Cc1c(CN2CC[NH+](CC(=O)N3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000051149445 540424061 /nfs/dbraw/zinc/42/40/61/540424061.db2.gz FUKAGIBJENSEJF-UHFFFAOYSA-N 1 2 360.458 2.033 20 5 FEBDLO Cc1nn(C)c(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000052219355 540458966 /nfs/dbraw/zinc/45/89/66/540458966.db2.gz XJJQLBWMFJXJIO-RYUDHWBXSA-N 1 2 360.418 2.257 20 5 FEBDLO CC(=O)NCC1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000052848586 540493387 /nfs/dbraw/zinc/49/33/87/540493387.db2.gz YCIJKBULKAMGEX-UHFFFAOYSA-N 1 2 368.821 2.035 20 5 FEBDLO CN(Cc1[nH+]ccn1C)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000053130263 540512454 /nfs/dbraw/zinc/51/24/54/540512454.db2.gz GSZJKOKJIZXRNK-UHFFFAOYSA-N 1 2 354.370 2.001 20 5 FEBDLO COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)c2[nH+]ccn2C)cc1 ZINC000053477621 540538282 /nfs/dbraw/zinc/53/82/82/540538282.db2.gz KALCHWJZUZSZES-OAHLLOKOSA-N 1 2 356.338 2.449 20 5 FEBDLO Cc1noc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000054678859 540602682 /nfs/dbraw/zinc/60/26/82/540602682.db2.gz REDKXAREHYKQAC-NSHDSACASA-N 1 2 359.386 2.493 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000058393205 540841002 /nfs/dbraw/zinc/84/10/02/540841002.db2.gz FNLBXLZSXWAYPX-ZDUSSCGKSA-N 1 2 365.455 2.254 20 5 FEBDLO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000063598166 541174518 /nfs/dbraw/zinc/17/45/18/541174518.db2.gz CAWGPPAQPRZHSW-UHFFFAOYSA-N 1 2 370.369 2.096 20 5 FEBDLO CC1CCC(NC(=O)CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000065969403 541275137 /nfs/dbraw/zinc/27/51/37/541275137.db2.gz LBKOIOIIDQNJPN-UHFFFAOYSA-N 1 2 374.485 2.407 20 5 FEBDLO CC1CCC(NC(=O)C[NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000065969403 541275142 /nfs/dbraw/zinc/27/51/42/541275142.db2.gz LBKOIOIIDQNJPN-UHFFFAOYSA-N 1 2 374.485 2.407 20 5 FEBDLO COc1cc(OCC(=O)NCc2cn3c(cccc3C)[nH+]2)ccc1[N+](=O)[O-] ZINC000068571684 541611355 /nfs/dbraw/zinc/61/13/55/541611355.db2.gz SWBGYIGHTGEOSP-UHFFFAOYSA-N 1 2 370.365 2.255 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000071092258 541763544 /nfs/dbraw/zinc/76/35/44/541763544.db2.gz PNJNZBRKHPCCCF-UHFFFAOYSA-N 1 2 359.367 2.285 20 5 FEBDLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000076396399 542273070 /nfs/dbraw/zinc/27/30/70/542273070.db2.gz ZMTQGDBOCRILHG-JSGCOSHPSA-N 1 2 358.423 2.305 20 5 FEBDLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000076396399 542273075 /nfs/dbraw/zinc/27/30/75/542273075.db2.gz ZMTQGDBOCRILHG-JSGCOSHPSA-N 1 2 358.423 2.305 20 5 FEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079780486 542541516 /nfs/dbraw/zinc/54/15/16/542541516.db2.gz WDYYSMMAULTALR-SECBINFHSA-N 1 2 353.176 2.372 20 5 FEBDLO CCOc1cc(N2CC[NH+](CC(=O)N[C@@H](C)CC)CC2)ccc1[N+](=O)[O-] ZINC000080769542 542607721 /nfs/dbraw/zinc/60/77/21/542607721.db2.gz CQQOOWVEIKRFSU-AWEZNQCLSA-N 1 2 364.446 2.030 20 5 FEBDLO COc1ccc(-c2ccc(C[N@@H+]3C[C@@H](CO)OC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000092042008 542840669 /nfs/dbraw/zinc/84/06/69/542840669.db2.gz JKGOKOSPFNYFBD-DOMZBBRYSA-N 1 2 362.382 2.445 20 5 FEBDLO COc1ccc(-c2ccc(C[N@H+]3C[C@@H](CO)OC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000092042008 542840673 /nfs/dbraw/zinc/84/06/73/542840673.db2.gz JKGOKOSPFNYFBD-DOMZBBRYSA-N 1 2 362.382 2.445 20 5 FEBDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000092510233 542867543 /nfs/dbraw/zinc/86/75/43/542867543.db2.gz LQWVLBCCVZZZTC-AWEZNQCLSA-N 1 2 365.430 2.445 20 5 FEBDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000092510233 542867544 /nfs/dbraw/zinc/86/75/44/542867544.db2.gz LQWVLBCCVZZZTC-AWEZNQCLSA-N 1 2 365.430 2.445 20 5 FEBDLO COc1ccccc1C[N@H+](CCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000103143912 543095094 /nfs/dbraw/zinc/09/50/94/543095094.db2.gz QKDBWNIKJBJGPI-UHFFFAOYSA-N 1 2 373.409 2.061 20 5 FEBDLO COc1ccccc1C[N@@H+](CCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000103143912 543095096 /nfs/dbraw/zinc/09/50/96/543095096.db2.gz QKDBWNIKJBJGPI-UHFFFAOYSA-N 1 2 373.409 2.061 20 5 FEBDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000106581957 543239262 /nfs/dbraw/zinc/23/92/62/543239262.db2.gz JSGSQUYFZWDRMW-NSHDSACASA-N 1 2 355.826 2.006 20 5 FEBDLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000111292978 543393726 /nfs/dbraw/zinc/39/37/26/543393726.db2.gz BBHTVXZNRVSTFF-HNNXBMFYSA-N 1 2 371.397 2.232 20 5 FEBDLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000111292978 543393729 /nfs/dbraw/zinc/39/37/29/543393729.db2.gz BBHTVXZNRVSTFF-HNNXBMFYSA-N 1 2 371.397 2.232 20 5 FEBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000114706761 543531109 /nfs/dbraw/zinc/53/11/09/543531109.db2.gz AUZKCEMOGRNRIV-CQSZACIVSA-N 1 2 355.398 2.212 20 5 FEBDLO CC[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000123660619 543775455 /nfs/dbraw/zinc/77/54/55/543775455.db2.gz DEEXEHWJMHRLCZ-LLVKDONJSA-N 1 2 373.251 2.299 20 5 FEBDLO CC[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000123660619 543775457 /nfs/dbraw/zinc/77/54/57/543775457.db2.gz DEEXEHWJMHRLCZ-LLVKDONJSA-N 1 2 373.251 2.299 20 5 FEBDLO CCS(=O)(=O)CC[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000129223352 544098434 /nfs/dbraw/zinc/09/84/34/544098434.db2.gz LFUQQXLWTDACJE-UHFFFAOYSA-N 1 2 367.427 2.159 20 5 FEBDLO CCS(=O)(=O)CC[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000129223352 544098436 /nfs/dbraw/zinc/09/84/36/544098436.db2.gz LFUQQXLWTDACJE-UHFFFAOYSA-N 1 2 367.427 2.159 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCCNc1cccc[nH+]1 ZINC000129634709 544121357 /nfs/dbraw/zinc/12/13/57/544121357.db2.gz SCXZMOVVRTYGCN-UHFFFAOYSA-N 1 2 371.397 2.245 20 5 FEBDLO Cc1c(C(=O)NCCCNc2cccc[nH+]2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000136178404 544368225 /nfs/dbraw/zinc/36/82/25/544368225.db2.gz RFZWRGYZDRVQBZ-UHFFFAOYSA-N 1 2 359.342 2.438 20 5 FEBDLO Cc1cc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc([N+](=O)[O-])c1 ZINC000147573521 544446994 /nfs/dbraw/zinc/44/69/94/544446994.db2.gz SAOKQJZBCGOVMR-UHFFFAOYSA-N 1 2 356.382 2.065 20 5 FEBDLO COC(=O)[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)(C)C ZINC000152540873 544665743 /nfs/dbraw/zinc/66/57/43/544665743.db2.gz WOTAJQDHDFPVJS-OAHLLOKOSA-N 1 2 351.403 2.409 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186482523 327964061 /nfs/dbraw/zinc/96/40/61/327964061.db2.gz FOYOTTIAOCNXNM-UHFFFAOYSA-N 1 2 371.353 2.251 20 5 FEBDLO COC(=O)[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C ZINC000191867000 328285861 /nfs/dbraw/zinc/28/58/61/328285861.db2.gz DOCIQQWEPILPGR-FZMZJTMJSA-N 1 2 360.370 2.276 20 5 FEBDLO COC(=O)[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C ZINC000191867000 328285862 /nfs/dbraw/zinc/28/58/62/328285862.db2.gz DOCIQQWEPILPGR-FZMZJTMJSA-N 1 2 360.370 2.276 20 5 FEBDLO Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000021122282 324393918 /nfs/dbraw/zinc/39/39/18/324393918.db2.gz GIUXDEWORJJLQH-UHFFFAOYSA-N 1 2 356.382 2.065 20 5 FEBDLO CC1(C)[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H]2CCO[C@@H]21 ZINC000078158166 325034018 /nfs/dbraw/zinc/03/40/18/325034018.db2.gz ICCYJNRTMNVZIB-KCXAZCMYSA-N 1 2 356.382 2.324 20 5 FEBDLO Cn1c(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000083219624 325216438 /nfs/dbraw/zinc/21/64/38/325216438.db2.gz QNFCDBCMXKBWQB-HNNXBMFYSA-N 1 2 370.409 2.353 20 5 FEBDLO Cn1c(C[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000083219624 325216440 /nfs/dbraw/zinc/21/64/40/325216440.db2.gz QNFCDBCMXKBWQB-HNNXBMFYSA-N 1 2 370.409 2.353 20 5 FEBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000087207057 325276645 /nfs/dbraw/zinc/27/66/45/325276645.db2.gz QZZLPDONBKSDOO-UHFFFAOYSA-N 1 2 351.366 2.425 20 5 FEBDLO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000117792053 326070994 /nfs/dbraw/zinc/07/09/94/326070994.db2.gz IXWBTJBHPVERGN-NEPJUHHUSA-N 1 2 355.822 2.016 20 5 FEBDLO CC(C)C(=O)N1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000118830630 326105663 /nfs/dbraw/zinc/10/56/63/326105663.db2.gz UFXIWUQZIBWFHI-AWEZNQCLSA-N 1 2 362.430 2.112 20 5 FEBDLO CC(C)C(=O)N1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000118830630 326105665 /nfs/dbraw/zinc/10/56/65/326105665.db2.gz UFXIWUQZIBWFHI-AWEZNQCLSA-N 1 2 362.430 2.112 20 5 FEBDLO O=C(N[C@H](CO)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000120372910 326253631 /nfs/dbraw/zinc/25/36/31/326253631.db2.gz OYVNDQOHJISJNA-INIZCTEOSA-N 1 2 366.377 2.114 20 5 FEBDLO C[C@@]1(c2ccccc2)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000121328186 326330120 /nfs/dbraw/zinc/33/01/20/326330120.db2.gz HVTHMUMRKCLBGM-IBGZPJMESA-N 1 2 355.394 2.441 20 5 FEBDLO C[C@@]1(c2ccccc2)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000121328186 326330122 /nfs/dbraw/zinc/33/01/22/326330122.db2.gz HVTHMUMRKCLBGM-IBGZPJMESA-N 1 2 355.394 2.441 20 5 FEBDLO C[C@H]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000126417512 326488651 /nfs/dbraw/zinc/48/86/51/326488651.db2.gz GQZKQMOLHLNWAD-XJKSGUPXSA-N 1 2 372.381 2.092 20 5 FEBDLO CC(C)OC(=O)[C@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000129807883 326546743 /nfs/dbraw/zinc/54/67/43/326546743.db2.gz VYBIESLNBRKLQA-LBPRGKRZSA-N 1 2 360.370 2.193 20 5 FEBDLO Cc1ccc(NCCCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)c([N+](=O)[O-])c1 ZINC000132749908 326597393 /nfs/dbraw/zinc/59/73/93/326597393.db2.gz LWPOUSGSWKWTQV-CQSZACIVSA-N 1 2 357.414 2.281 20 5 FEBDLO C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1n1cc[nH+]c1 ZINC000151278565 326678509 /nfs/dbraw/zinc/67/85/09/326678509.db2.gz MUXIAFZMLALDSK-MNOVXSKESA-N 1 2 356.429 2.125 20 5 FEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000152639229 326712656 /nfs/dbraw/zinc/71/26/56/326712656.db2.gz ZESQNHROFVUSAQ-UHFFFAOYSA-N 1 2 369.421 2.361 20 5 FEBDLO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)Cn1cc[nH+]c1 ZINC000153397171 326731815 /nfs/dbraw/zinc/73/18/15/326731815.db2.gz MNOFBPRFJNBTEV-CQSZACIVSA-N 1 2 357.414 2.458 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nnc(CSCC[NH+]3CCOCC3)o2)cc1 ZINC000159965875 326948703 /nfs/dbraw/zinc/94/87/03/326948703.db2.gz QQRMFFVSGHTECQ-UHFFFAOYSA-N 1 2 350.400 2.210 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000171349181 327133800 /nfs/dbraw/zinc/13/38/00/327133800.db2.gz SKFIFMNALRZUKD-UHFFFAOYSA-N 1 2 359.386 2.347 20 5 FEBDLO C[C@@H](c1cccnc1)N1C(=O)C[C@@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000171755967 327159247 /nfs/dbraw/zinc/15/92/47/327159247.db2.gz AJZFIPHIHQRJLU-SUMWQHHRSA-N 1 2 368.393 2.310 20 5 FEBDLO C[C@@H](c1cccnc1)N1C(=O)C[C@@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000171755967 327159249 /nfs/dbraw/zinc/15/92/49/327159249.db2.gz AJZFIPHIHQRJLU-SUMWQHHRSA-N 1 2 368.393 2.310 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3nnc(-c4ccco4)o3)C2)nc1 ZINC000172358808 327197812 /nfs/dbraw/zinc/19/78/12/327197812.db2.gz AMEZCDTYCXDRSH-NSHDSACASA-N 1 2 356.342 2.319 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3nnc(-c4ccco4)o3)C2)nc1 ZINC000172358808 327197814 /nfs/dbraw/zinc/19/78/14/327197814.db2.gz AMEZCDTYCXDRSH-NSHDSACASA-N 1 2 356.342 2.319 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000172707365 327214942 /nfs/dbraw/zinc/21/49/42/327214942.db2.gz KCVBNWHDQNJYSK-GOSISDBHSA-N 1 2 371.393 2.443 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000172707365 327214943 /nfs/dbraw/zinc/21/49/43/327214943.db2.gz KCVBNWHDQNJYSK-GOSISDBHSA-N 1 2 371.393 2.443 20 5 FEBDLO COc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2[nH+]ccn2C)cc1SC ZINC000264224736 329001834 /nfs/dbraw/zinc/00/18/34/329001834.db2.gz WPLMPXQDIHNKPB-UHFFFAOYSA-N 1 2 350.400 2.331 20 5 FEBDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264687751 329048727 /nfs/dbraw/zinc/04/87/27/329048727.db2.gz CQNDVYWEJNNNHL-LBPRGKRZSA-N 1 2 366.418 2.378 20 5 FEBDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264687751 329048728 /nfs/dbraw/zinc/04/87/28/329048728.db2.gz CQNDVYWEJNNNHL-LBPRGKRZSA-N 1 2 366.418 2.378 20 5 FEBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000265361335 329118753 /nfs/dbraw/zinc/11/87/53/329118753.db2.gz XRJALXXEGZLDRW-HNNXBMFYSA-N 1 2 370.409 2.274 20 5 FEBDLO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)CS(=O)(=O)CC ZINC000266560177 329236327 /nfs/dbraw/zinc/23/63/27/329236327.db2.gz XGLPVASRYWYMQR-CYBMUJFWSA-N 1 2 374.459 2.127 20 5 FEBDLO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)CS(=O)(=O)CC ZINC000266560177 329236329 /nfs/dbraw/zinc/23/63/29/329236329.db2.gz XGLPVASRYWYMQR-CYBMUJFWSA-N 1 2 374.459 2.127 20 5 FEBDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)S1 ZINC000266714882 329252255 /nfs/dbraw/zinc/25/22/55/329252255.db2.gz RHTRWWUDUNWPHP-JTQLQIEISA-N 1 2 368.846 2.497 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000273538085 329872794 /nfs/dbraw/zinc/87/27/94/329872794.db2.gz DMIKOUCKSVZHBM-IUCAKERBSA-N 1 2 365.415 2.441 20 5 FEBDLO C[C@H]([NH2+][C@@H](C)c1nncn1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000275238372 330025232 /nfs/dbraw/zinc/02/52/32/330025232.db2.gz WSRQFEOJHSLZGO-IUCAKERBSA-N 1 2 352.782 2.055 20 5 FEBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000276295335 330138009 /nfs/dbraw/zinc/13/80/09/330138009.db2.gz BVBITNUVTKWBPK-UHFFFAOYSA-N 1 2 357.292 2.208 20 5 FEBDLO Cc1c([C@H]2CCC[N@@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cnn1C ZINC000367268840 330238729 /nfs/dbraw/zinc/23/87/29/330238729.db2.gz CNWFBVPMPHPQCC-QGZVFWFLSA-N 1 2 369.425 2.363 20 5 FEBDLO Cc1c([C@H]2CCC[N@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cnn1C ZINC000367268840 330238731 /nfs/dbraw/zinc/23/87/31/330238731.db2.gz CNWFBVPMPHPQCC-QGZVFWFLSA-N 1 2 369.425 2.363 20 5 FEBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000155624313 545551422 /nfs/dbraw/zinc/55/14/22/545551422.db2.gz NAFGKRYMUBMBPI-UHFFFAOYSA-N 1 2 356.382 2.316 20 5 FEBDLO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](C)C1 ZINC000157941193 545802774 /nfs/dbraw/zinc/80/27/74/545802774.db2.gz FNNJBXMUDUUSFB-CZUORRHYSA-N 1 2 365.430 2.167 20 5 FEBDLO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](C)C1 ZINC000157941193 545802777 /nfs/dbraw/zinc/80/27/77/545802777.db2.gz FNNJBXMUDUUSFB-CZUORRHYSA-N 1 2 365.430 2.167 20 5 FEBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)[C@@H]2C1 ZINC000158154958 545829546 /nfs/dbraw/zinc/82/95/46/545829546.db2.gz INBJSDZENFNCEA-BZUAXINKSA-N 1 2 374.397 2.413 20 5 FEBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)[C@@H]2C1 ZINC000158154958 545829552 /nfs/dbraw/zinc/82/95/52/545829552.db2.gz INBJSDZENFNCEA-BZUAXINKSA-N 1 2 374.397 2.413 20 5 FEBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159460339 545955581 /nfs/dbraw/zinc/95/55/81/545955581.db2.gz ZRGHDYMRQFLPPP-UHFFFAOYSA-N 1 2 355.398 2.017 20 5 FEBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000159536502 545961456 /nfs/dbraw/zinc/96/14/56/545961456.db2.gz OXWOHVHGLKFIFJ-RDJZCZTQSA-N 1 2 362.382 2.391 20 5 FEBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000159536502 545961458 /nfs/dbraw/zinc/96/14/58/545961458.db2.gz OXWOHVHGLKFIFJ-RDJZCZTQSA-N 1 2 362.382 2.391 20 5 FEBDLO Cc1c(CNc2[nH+]cnc3c2cnn3-c2ncccn2)cccc1[N+](=O)[O-] ZINC000478429442 561166634 /nfs/dbraw/zinc/16/66/34/561166634.db2.gz PGWLIGSOPDBCGW-UHFFFAOYSA-N 1 2 362.353 2.434 20 5 FEBDLO Cc1c(CC(=O)N2CC[NH+](Cc3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000160127518 546009811 /nfs/dbraw/zinc/00/98/11/546009811.db2.gz BGGXXCFIYLFQPO-UHFFFAOYSA-N 1 2 354.410 2.185 20 5 FEBDLO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178955003 546879792 /nfs/dbraw/zinc/87/97/92/546879792.db2.gz BCSFBTQYTKLMRD-XKQJLSEDSA-N 1 2 368.393 2.468 20 5 FEBDLO Cc1cccc2[nH+]c(CNC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)cn21 ZINC000181718920 547366892 /nfs/dbraw/zinc/36/68/92/547366892.db2.gz HCQHEJPISIPCKJ-UHFFFAOYSA-N 1 2 354.322 2.210 20 5 FEBDLO COc1cccc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c1[N+](=O)[O-] ZINC000185231663 547956035 /nfs/dbraw/zinc/95/60/35/547956035.db2.gz NWIPLNUTYFYWDT-INIZCTEOSA-N 1 2 353.444 2.223 20 5 FEBDLO Cc1nc(N2CCN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)cc[nH+]1 ZINC000185395170 547979694 /nfs/dbraw/zinc/97/96/94/547979694.db2.gz JRILANDNVGTNPF-LBPRGKRZSA-N 1 2 373.388 2.285 20 5 FEBDLO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](C)C1 ZINC000194018536 548422519 /nfs/dbraw/zinc/42/25/19/548422519.db2.gz KDGOKDYYQAKLNN-VXGBXAGGSA-N 1 2 363.439 2.337 20 5 FEBDLO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](C)C1 ZINC000194018536 548422522 /nfs/dbraw/zinc/42/25/22/548422522.db2.gz KDGOKDYYQAKLNN-VXGBXAGGSA-N 1 2 363.439 2.337 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000486637328 561352958 /nfs/dbraw/zinc/35/29/58/561352958.db2.gz OZQDQRRJTBGPIL-OAHLLOKOSA-N 1 2 355.460 2.118 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000486637328 561352959 /nfs/dbraw/zinc/35/29/59/561352959.db2.gz OZQDQRRJTBGPIL-OAHLLOKOSA-N 1 2 355.460 2.118 20 5 FEBDLO COCCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000245833283 549000224 /nfs/dbraw/zinc/00/02/24/549000224.db2.gz GRRVBNXRKVEVNQ-UONOGXRCSA-N 1 2 351.403 2.049 20 5 FEBDLO COCCO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000245833283 549000228 /nfs/dbraw/zinc/00/02/28/549000228.db2.gz GRRVBNXRKVEVNQ-UONOGXRCSA-N 1 2 351.403 2.049 20 5 FEBDLO CC(C)CN1C[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000488733494 561395687 /nfs/dbraw/zinc/39/56/87/561395687.db2.gz JTRXIMXWZYGLPT-HNNXBMFYSA-N 1 2 362.430 2.051 20 5 FEBDLO CC(C)CN1C[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000488733494 561395688 /nfs/dbraw/zinc/39/56/88/561395688.db2.gz JTRXIMXWZYGLPT-HNNXBMFYSA-N 1 2 362.430 2.051 20 5 FEBDLO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@H]1C ZINC000246936883 549247001 /nfs/dbraw/zinc/24/70/01/549247001.db2.gz ZSPHHNYWKBLBCP-RYUDHWBXSA-N 1 2 363.439 2.337 20 5 FEBDLO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@H]1C ZINC000246936883 549247003 /nfs/dbraw/zinc/24/70/03/549247003.db2.gz ZSPHHNYWKBLBCP-RYUDHWBXSA-N 1 2 363.439 2.337 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1C ZINC000249759964 549625485 /nfs/dbraw/zinc/62/54/85/549625485.db2.gz KSBXIYAUQUGSLC-AWEZNQCLSA-N 1 2 353.444 2.070 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1C ZINC000249759964 549625487 /nfs/dbraw/zinc/62/54/87/549625487.db2.gz KSBXIYAUQUGSLC-AWEZNQCLSA-N 1 2 353.444 2.070 20 5 FEBDLO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000492516579 561451633 /nfs/dbraw/zinc/45/16/33/561451633.db2.gz VLMCNNJECHIMGY-CQSZACIVSA-N 1 2 356.444 2.393 20 5 FEBDLO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000492516579 561451634 /nfs/dbraw/zinc/45/16/34/561451634.db2.gz VLMCNNJECHIMGY-CQSZACIVSA-N 1 2 356.444 2.393 20 5 FEBDLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NCCn1cc([N+](=O)[O-])cn1 ZINC000493540461 561456734 /nfs/dbraw/zinc/45/67/34/561456734.db2.gz AOAWKUTTWWKQIK-UHFFFAOYSA-N 1 2 369.381 2.359 20 5 FEBDLO C[C@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000271703543 550396052 /nfs/dbraw/zinc/39/60/52/550396052.db2.gz OBBIJVWNVHTCFG-ZDUSSCGKSA-N 1 2 350.419 2.066 20 5 FEBDLO C[C@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000271703543 550396054 /nfs/dbraw/zinc/39/60/54/550396054.db2.gz OBBIJVWNVHTCFG-ZDUSSCGKSA-N 1 2 350.419 2.066 20 5 FEBDLO CN(C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1)S(C)(=O)=O ZINC000272843144 550473315 /nfs/dbraw/zinc/47/33/15/550473315.db2.gz UCDPBBISCAEWSY-UHFFFAOYSA-N 1 2 361.851 2.104 20 5 FEBDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccccc1 ZINC000273010171 550480533 /nfs/dbraw/zinc/48/05/33/550480533.db2.gz JAVGLKKUYYJKGG-QGZVFWFLSA-N 1 2 364.423 2.034 20 5 FEBDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccccc1 ZINC000273010171 550480535 /nfs/dbraw/zinc/48/05/35/550480535.db2.gz JAVGLKKUYYJKGG-QGZVFWFLSA-N 1 2 364.423 2.034 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2cc(C)n[nH]2)CC1 ZINC000273038176 550481612 /nfs/dbraw/zinc/48/16/12/550481612.db2.gz WDQYENAWKAYZGE-UHFFFAOYSA-N 1 2 373.413 2.453 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2cc(C)[nH]n2)CC1 ZINC000273038176 550481614 /nfs/dbraw/zinc/48/16/14/550481614.db2.gz WDQYENAWKAYZGE-UHFFFAOYSA-N 1 2 373.413 2.453 20 5 FEBDLO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)cc([N+](=O)[O-])c1 ZINC000273846047 550513510 /nfs/dbraw/zinc/51/35/10/550513510.db2.gz KXKKLPCYOFFGNS-CYBMUJFWSA-N 1 2 361.314 2.089 20 5 FEBDLO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)cc([N+](=O)[O-])c1 ZINC000273846047 550513512 /nfs/dbraw/zinc/51/35/12/550513512.db2.gz KXKKLPCYOFFGNS-CYBMUJFWSA-N 1 2 361.314 2.089 20 5 FEBDLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000273916529 550515781 /nfs/dbraw/zinc/51/57/81/550515781.db2.gz CYXMYUQKUDQXBA-AWEZNQCLSA-N 1 2 371.397 2.286 20 5 FEBDLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000273916529 550515782 /nfs/dbraw/zinc/51/57/82/550515782.db2.gz CYXMYUQKUDQXBA-AWEZNQCLSA-N 1 2 371.397 2.286 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](OCC3CC3)C2)cc1 ZINC000494653160 561473359 /nfs/dbraw/zinc/47/33/59/561473359.db2.gz UIUAMZZPGQQPCR-INIZCTEOSA-N 1 2 368.455 2.260 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](OCC3CC3)C2)cc1 ZINC000494653160 561473360 /nfs/dbraw/zinc/47/33/60/561473360.db2.gz UIUAMZZPGQQPCR-INIZCTEOSA-N 1 2 368.455 2.260 20 5 FEBDLO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275660025 550573442 /nfs/dbraw/zinc/57/34/42/550573442.db2.gz YLAQVAJHBATUCZ-HNNXBMFYSA-N 1 2 364.449 2.069 20 5 FEBDLO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275660025 550573443 /nfs/dbraw/zinc/57/34/43/550573443.db2.gz YLAQVAJHBATUCZ-HNNXBMFYSA-N 1 2 364.449 2.069 20 5 FEBDLO COC(=O)c1cnc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000276689902 550585734 /nfs/dbraw/zinc/58/57/34/550585734.db2.gz GYGQCERMVNMMKB-CYBMUJFWSA-N 1 2 371.397 2.055 20 5 FEBDLO COc1ccc(CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)cc1[N+](=O)[O-] ZINC000277314565 550655446 /nfs/dbraw/zinc/65/54/46/550655446.db2.gz DAOWMZSJQLNAIP-CQSZACIVSA-N 1 2 373.413 2.357 20 5 FEBDLO COc1ccc(CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)cc1[N+](=O)[O-] ZINC000277314565 550655447 /nfs/dbraw/zinc/65/54/47/550655447.db2.gz DAOWMZSJQLNAIP-CQSZACIVSA-N 1 2 373.413 2.357 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000277852499 550721625 /nfs/dbraw/zinc/72/16/25/550721625.db2.gz AJJXESUFRZTJAT-NEPJUHHUSA-N 1 2 355.822 2.396 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000277852505 550721670 /nfs/dbraw/zinc/72/16/70/550721670.db2.gz AJJXESUFRZTJAT-NWDGAFQWSA-N 1 2 355.822 2.396 20 5 FEBDLO O=[N+]([O-])c1cccc(OCc2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000278062234 550744772 /nfs/dbraw/zinc/74/47/72/550744772.db2.gz MQSLFKLAHLTWNX-UKRRQHHQSA-N 1 2 360.370 2.483 20 5 FEBDLO O=[N+]([O-])c1cccc(OCc2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000278062234 550744774 /nfs/dbraw/zinc/74/47/74/550744774.db2.gz MQSLFKLAHLTWNX-UKRRQHHQSA-N 1 2 360.370 2.483 20 5 FEBDLO C[C@H](O)C[NH+]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000278095273 550748537 /nfs/dbraw/zinc/74/85/37/550748537.db2.gz QNXQNQLQEMKACZ-AWEZNQCLSA-N 1 2 365.433 2.232 20 5 FEBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@@H](O)COCc1ccccc1F)CC2 ZINC000495518943 561489418 /nfs/dbraw/zinc/48/94/18/561489418.db2.gz ZFXOTEKSKSQVHJ-MRXNPFEDSA-N 1 2 361.373 2.065 20 5 FEBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H](O)COCc1ccccc1F)CC2 ZINC000495518943 561489419 /nfs/dbraw/zinc/48/94/19/561489419.db2.gz ZFXOTEKSKSQVHJ-MRXNPFEDSA-N 1 2 361.373 2.065 20 5 FEBDLO COc1cc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000280262078 550975212 /nfs/dbraw/zinc/97/52/12/550975212.db2.gz LXKLQKKKXMOXGK-GOSISDBHSA-N 1 2 366.414 2.382 20 5 FEBDLO COc1cc(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000280262078 550975213 /nfs/dbraw/zinc/97/52/13/550975213.db2.gz LXKLQKKKXMOXGK-GOSISDBHSA-N 1 2 366.414 2.382 20 5 FEBDLO CC1(C)C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@]2(CCOC2)O1 ZINC000280492713 550999971 /nfs/dbraw/zinc/99/99/71/550999971.db2.gz MKDRREBHXLHCLG-SFHVURJKSA-N 1 2 374.397 2.415 20 5 FEBDLO CC1(C)C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@]2(CCOC2)O1 ZINC000280492713 550999973 /nfs/dbraw/zinc/99/99/73/550999973.db2.gz MKDRREBHXLHCLG-SFHVURJKSA-N 1 2 374.397 2.415 20 5 FEBDLO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000280774471 551031126 /nfs/dbraw/zinc/03/11/26/551031126.db2.gz PNRCMSBWOVOSPO-JFGNBEQYSA-N 1 2 369.805 2.316 20 5 FEBDLO COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000280774471 551031127 /nfs/dbraw/zinc/03/11/27/551031127.db2.gz PNRCMSBWOVOSPO-JFGNBEQYSA-N 1 2 369.805 2.316 20 5 FEBDLO CCC(=O)c1ccc(Nc2cnn(CC[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000280804063 551033972 /nfs/dbraw/zinc/03/39/72/551033972.db2.gz WCXALBWZKLCKKG-UHFFFAOYSA-N 1 2 373.413 2.460 20 5 FEBDLO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000280822350 551036193 /nfs/dbraw/zinc/03/61/93/551036193.db2.gz RSUSZWSWCQNYJK-UHFFFAOYSA-N 1 2 371.393 2.063 20 5 FEBDLO Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000283002429 551296321 /nfs/dbraw/zinc/29/63/21/551296321.db2.gz XKDJOLVFYBUBMF-AWEZNQCLSA-N 1 2 366.381 2.321 20 5 FEBDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000499120246 561544094 /nfs/dbraw/zinc/54/40/94/561544094.db2.gz GQYAZQLCOOLBLI-OAHLLOKOSA-N 1 2 362.430 2.175 20 5 FEBDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000499120246 561544095 /nfs/dbraw/zinc/54/40/95/561544095.db2.gz GQYAZQLCOOLBLI-OAHLLOKOSA-N 1 2 362.430 2.175 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000286616930 551906558 /nfs/dbraw/zinc/90/65/58/551906558.db2.gz RVEALCTVWJEQCQ-PWSUYJOCSA-N 1 2 363.292 2.496 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000286616930 551906560 /nfs/dbraw/zinc/90/65/60/551906560.db2.gz RVEALCTVWJEQCQ-PWSUYJOCSA-N 1 2 363.292 2.496 20 5 FEBDLO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000286691380 551915196 /nfs/dbraw/zinc/91/51/96/551915196.db2.gz IMUJIQPLFKPBMW-SOUVJXGZSA-N 1 2 362.430 2.160 20 5 FEBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000499256455 561546872 /nfs/dbraw/zinc/54/68/72/561546872.db2.gz OGACNOKPLFCDEF-SMDDNHRTSA-N 1 2 357.370 2.012 20 5 FEBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000499256455 561546873 /nfs/dbraw/zinc/54/68/73/561546873.db2.gz OGACNOKPLFCDEF-SMDDNHRTSA-N 1 2 357.370 2.012 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000287151336 551969778 /nfs/dbraw/zinc/96/97/78/551969778.db2.gz GFZBSJBYPJWNAO-GXTWGEPZSA-N 1 2 358.398 2.011 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000287429950 552003232 /nfs/dbraw/zinc/00/32/32/552003232.db2.gz QPGZTHMIFXXQED-WFASDCNBSA-N 1 2 367.833 2.112 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000287586146 552022166 /nfs/dbraw/zinc/02/21/66/552022166.db2.gz XRVBHPSEPGSTEM-AAEUAGOBSA-N 1 2 353.806 2.183 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000287611232 552025147 /nfs/dbraw/zinc/02/51/47/552025147.db2.gz YTXMOFCUSIUQMG-DOMZBBRYSA-N 1 2 369.368 2.008 20 5 FEBDLO Cc1nc([C@@H](C)[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)no1 ZINC000289316652 552300242 /nfs/dbraw/zinc/30/02/42/552300242.db2.gz DGJGKEZANKAVIP-LLVKDONJSA-N 1 2 371.401 2.436 20 5 FEBDLO Cc1nc([C@@H](C)[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)no1 ZINC000289316652 552300245 /nfs/dbraw/zinc/30/02/45/552300245.db2.gz DGJGKEZANKAVIP-LLVKDONJSA-N 1 2 371.401 2.436 20 5 FEBDLO O=C(NCC1([NH+]2CCOCC2)CC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289752782 552372971 /nfs/dbraw/zinc/37/29/71/552372971.db2.gz RFPFZGLTGAYSFB-UHFFFAOYSA-N 1 2 354.794 2.235 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)c1 ZINC000500661050 561579020 /nfs/dbraw/zinc/57/90/20/561579020.db2.gz DGAZKZJBSQPTPG-UHFFFAOYSA-N 1 2 356.382 2.269 20 5 FEBDLO NS(=O)(=O)c1ccc(NCc2cccc(-c3[nH]cc[nH+]3)c2)c([N+](=O)[O-])c1 ZINC000500874239 561584822 /nfs/dbraw/zinc/58/48/22/561584822.db2.gz YPTDUDTUODPAKL-UHFFFAOYSA-N 1 2 373.394 2.244 20 5 FEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000292059864 552689384 /nfs/dbraw/zinc/68/93/84/552689384.db2.gz ARNOYRVVBWTETE-CYBMUJFWSA-N 1 2 356.444 2.249 20 5 FEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000292059864 552689385 /nfs/dbraw/zinc/68/93/85/552689385.db2.gz ARNOYRVVBWTETE-CYBMUJFWSA-N 1 2 356.444 2.249 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000501424825 561597260 /nfs/dbraw/zinc/59/72/60/561597260.db2.gz QASBWRVDSDHMGO-CYBMUJFWSA-N 1 2 369.219 2.256 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000501424825 561597261 /nfs/dbraw/zinc/59/72/61/561597261.db2.gz QASBWRVDSDHMGO-CYBMUJFWSA-N 1 2 369.219 2.256 20 5 FEBDLO COc1cc(C[N@@H+]2CCC[C@H](OC(=O)N(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000294731340 552930109 /nfs/dbraw/zinc/93/01/09/552930109.db2.gz GIQQZXFRFQQVHA-ZDUSSCGKSA-N 1 2 367.402 2.275 20 5 FEBDLO COc1cc(C[N@H+]2CCC[C@H](OC(=O)N(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000294731340 552930111 /nfs/dbraw/zinc/93/01/11/552930111.db2.gz GIQQZXFRFQQVHA-ZDUSSCGKSA-N 1 2 367.402 2.275 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@](C)(F)C1 ZINC000295705767 553047606 /nfs/dbraw/zinc/04/76/06/553047606.db2.gz MUHCYXYEABVTIX-MRXNPFEDSA-N 1 2 371.413 2.072 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@](C)(F)C1 ZINC000295705767 553047607 /nfs/dbraw/zinc/04/76/07/553047607.db2.gz MUHCYXYEABVTIX-MRXNPFEDSA-N 1 2 371.413 2.072 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1(C)C ZINC000296037327 553093916 /nfs/dbraw/zinc/09/39/16/553093916.db2.gz YDWUKCYUKUGTNZ-OAHLLOKOSA-N 1 2 362.361 2.456 20 5 FEBDLO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000296582912 553183140 /nfs/dbraw/zinc/18/31/40/553183140.db2.gz DXJRGUUZHYTKEX-RUZDIDTESA-N 1 2 368.455 2.179 20 5 FEBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000297103545 553253596 /nfs/dbraw/zinc/25/35/96/553253596.db2.gz NRUFDCDBVITMOP-UHFFFAOYSA-N 1 2 353.444 2.156 20 5 FEBDLO Cc1cc(NCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])nc(C(C)C)[nH+]1 ZINC000600367211 553257263 /nfs/dbraw/zinc/25/72/63/553257263.db2.gz PWCFHFRFHXELMW-UHFFFAOYSA-N 1 2 359.386 2.364 20 5 FEBDLO Cc1cc(NC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000297757445 553335114 /nfs/dbraw/zinc/33/51/14/553335114.db2.gz LZODTQRIZRKUCR-UHFFFAOYSA-N 1 2 369.381 2.288 20 5 FEBDLO COC(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000298800193 553474645 /nfs/dbraw/zinc/47/46/45/553474645.db2.gz NNJFDOIHZUTORP-ZJUUUORDSA-N 1 2 355.778 2.070 20 5 FEBDLO COC(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000298800193 553474647 /nfs/dbraw/zinc/47/46/47/553474647.db2.gz NNJFDOIHZUTORP-ZJUUUORDSA-N 1 2 355.778 2.070 20 5 FEBDLO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000298822793 553477570 /nfs/dbraw/zinc/47/75/70/553477570.db2.gz ZZGYMSLFXGEIKH-UWVGGRQHSA-N 1 2 355.778 2.070 20 5 FEBDLO COC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000298822793 553477571 /nfs/dbraw/zinc/47/75/71/553477571.db2.gz ZZGYMSLFXGEIKH-UWVGGRQHSA-N 1 2 355.778 2.070 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000299560894 553581575 /nfs/dbraw/zinc/58/15/75/553581575.db2.gz AQUHRISYAJGKAS-UHFFFAOYSA-N 1 2 356.382 2.065 20 5 FEBDLO O=C(NCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1F ZINC000301973217 553695858 /nfs/dbraw/zinc/69/58/58/553695858.db2.gz AJEJYJMEFWWHJG-UHFFFAOYSA-N 1 2 372.400 2.286 20 5 FEBDLO C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000302162549 553708052 /nfs/dbraw/zinc/70/80/52/553708052.db2.gz HWQNHBIOJWGWFA-HNNXBMFYSA-N 1 2 358.398 2.311 20 5 FEBDLO C[N@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000302162549 553708055 /nfs/dbraw/zinc/70/80/55/553708055.db2.gz HWQNHBIOJWGWFA-HNNXBMFYSA-N 1 2 358.398 2.311 20 5 FEBDLO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000505477219 561671725 /nfs/dbraw/zinc/67/17/25/561671725.db2.gz RWGAWNLIDPPYEQ-QGZVFWFLSA-N 1 2 351.366 2.258 20 5 FEBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)CC2)c1 ZINC000505501824 561672281 /nfs/dbraw/zinc/67/22/81/561672281.db2.gz UEENINUAYOCOFM-CQSZACIVSA-N 1 2 372.425 2.461 20 5 FEBDLO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000311969728 553755444 /nfs/dbraw/zinc/75/54/44/553755444.db2.gz AYRJEPDGTWNCOQ-MRXNPFEDSA-N 1 2 359.430 2.433 20 5 FEBDLO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000311969728 553755446 /nfs/dbraw/zinc/75/54/46/553755446.db2.gz AYRJEPDGTWNCOQ-MRXNPFEDSA-N 1 2 359.430 2.433 20 5 FEBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000506877499 561710866 /nfs/dbraw/zinc/71/08/66/561710866.db2.gz VVKGPMIUSTVAMK-UHFFFAOYSA-N 1 2 367.365 2.331 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@](O)(C(F)(F)F)C2)c2c(c1)COCO2 ZINC000332233107 554405907 /nfs/dbraw/zinc/40/59/07/554405907.db2.gz RBHUYWIRCUGDFF-CQSZACIVSA-N 1 2 362.304 2.351 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)C2)c2c(c1)COCO2 ZINC000332233107 554405908 /nfs/dbraw/zinc/40/59/08/554405908.db2.gz RBHUYWIRCUGDFF-CQSZACIVSA-N 1 2 362.304 2.351 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c1C ZINC000510434460 561834555 /nfs/dbraw/zinc/83/45/55/561834555.db2.gz 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FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3cc(C)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000364421607 555310287 /nfs/dbraw/zinc/31/02/87/555310287.db2.gz MKVBEQURTYSRBS-CYBMUJFWSA-N 1 2 373.413 2.453 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3cc(C)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000364421607 555310288 /nfs/dbraw/zinc/31/02/88/555310288.db2.gz MKVBEQURTYSRBS-CYBMUJFWSA-N 1 2 373.413 2.453 20 5 FEBDLO CCc1nc(C[NH+]2C[C@H]3CN(c4ccc(C)cc4[N+](=O)[O-])C[C@@H]3C2)no1 ZINC000365033603 555469750 /nfs/dbraw/zinc/46/97/50/555469750.db2.gz AJFWJWKAVBJQTA-KBPBESRZSA-N 1 2 357.414 2.417 20 5 FEBDLO Cc1nc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000365108037 555486863 /nfs/dbraw/zinc/48/68/63/555486863.db2.gz AKDGYYAWDUCBNV-LLVKDONJSA-N 1 2 358.402 2.228 20 5 FEBDLO O=C(NCCCNc1cccc[nH+]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365356282 555552488 /nfs/dbraw/zinc/55/24/88/555552488.db2.gz GMZGYPIFMIOLIZ-UHFFFAOYSA-N 1 2 373.417 2.035 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365975403 555715467 /nfs/dbraw/zinc/71/54/67/555715467.db2.gz ZWLVHWHHYYRTIC-UHFFFAOYSA-N 1 2 366.381 2.454 20 5 FEBDLO C[C@H](CN1CCCC1=O)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513683875 561946615 /nfs/dbraw/zinc/94/66/15/561946615.db2.gz NKVNONAKVHVQSM-DYVFJYSZSA-N 1 2 357.414 2.018 20 5 FEBDLO CC[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000366248024 555792178 /nfs/dbraw/zinc/79/21/78/555792178.db2.gz GVPTYHIHFLOLPM-KBXCAEBGSA-N 1 2 366.414 2.382 20 5 FEBDLO CC[C@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000366248024 555792179 /nfs/dbraw/zinc/79/21/79/555792179.db2.gz GVPTYHIHFLOLPM-KBXCAEBGSA-N 1 2 366.414 2.382 20 5 FEBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000366453093 555848563 /nfs/dbraw/zinc/84/85/63/555848563.db2.gz BKHIKCGGDGYSTF-BLLLJJGKSA-N 1 2 351.359 2.273 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000366453093 555848565 /nfs/dbraw/zinc/84/85/65/555848565.db2.gz BKHIKCGGDGYSTF-BLLLJJGKSA-N 1 2 351.359 2.273 20 5 FEBDLO CCOC(=O)c1cc(C(=O)NCCNc2cccc[nH+]2)cc([N+](=O)[O-])c1 ZINC000514094553 561960245 /nfs/dbraw/zinc/96/02/45/561960245.db2.gz KSBVUHDZNRNIGQ-UHFFFAOYSA-N 1 2 358.354 2.008 20 5 FEBDLO O=c1[nH]ccc2c1C[N@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)CC2 ZINC000366770701 555929643 /nfs/dbraw/zinc/92/96/43/555929643.db2.gz FPMWVWCUARNPBH-UHFFFAOYSA-N 1 2 353.338 2.304 20 5 FEBDLO O=c1[nH]ccc2c1C[N@@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)CC2 ZINC000366770701 555929648 /nfs/dbraw/zinc/92/96/48/555929648.db2.gz FPMWVWCUARNPBH-UHFFFAOYSA-N 1 2 353.338 2.304 20 5 FEBDLO O=C(NCC1CCOCC1)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000368488405 556325060 /nfs/dbraw/zinc/32/50/60/556325060.db2.gz ODCQWINMRGJQEF-QGZVFWFLSA-N 1 2 365.405 2.241 20 5 FEBDLO O=C(NCC1CCOCC1)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000368488405 556325066 /nfs/dbraw/zinc/32/50/66/556325066.db2.gz ODCQWINMRGJQEF-QGZVFWFLSA-N 1 2 365.405 2.241 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2Cn2cccn2)c([N+](=O)[O-])c1 ZINC000369271063 556558054 /nfs/dbraw/zinc/55/80/54/556558054.db2.gz OCUDLTSOEZTFNV-AWEZNQCLSA-N 1 2 373.413 2.293 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2Cn2cccn2)c([N+](=O)[O-])c1 ZINC000369271063 556558055 /nfs/dbraw/zinc/55/80/55/556558055.db2.gz OCUDLTSOEZTFNV-AWEZNQCLSA-N 1 2 373.413 2.293 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000369363534 556580839 /nfs/dbraw/zinc/58/08/39/556580839.db2.gz QZZBKCGCZGRXLD-AWEZNQCLSA-N 1 2 364.427 2.038 20 5 FEBDLO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)c1cc([N+](=O)[O-])cc(F)c1F ZINC000369594680 556641583 /nfs/dbraw/zinc/64/15/83/556641583.db2.gz JXXCJCGCCNONBU-SNVBAGLBSA-N 1 2 350.325 2.404 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Oc2cnccn2)CC1 ZINC000369701865 556672864 /nfs/dbraw/zinc/67/28/64/556672864.db2.gz GQULDJDZYLTBGC-CYBMUJFWSA-N 1 2 371.397 2.255 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000370211083 556812222 /nfs/dbraw/zinc/81/22/22/556812222.db2.gz VIAANLMOCUTHQE-UHFFFAOYSA-N 1 2 357.292 2.230 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000370211083 556812225 /nfs/dbraw/zinc/81/22/25/556812225.db2.gz VIAANLMOCUTHQE-UHFFFAOYSA-N 1 2 357.292 2.230 20 5 FEBDLO Cc1sc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000370545773 556904787 /nfs/dbraw/zinc/90/47/87/556904787.db2.gz IFHPRXRRPWPNLO-OLZOCXBDSA-N 1 2 353.444 2.338 20 5 FEBDLO COc1ccc(NC(=O)CN(C)Cc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])c1 ZINC000372990163 557604512 /nfs/dbraw/zinc/60/45/12/557604512.db2.gz MZLVETCMWGQECC-UHFFFAOYSA-N 1 2 373.413 2.207 20 5 FEBDLO COc1ccc(NC(=O)CN2CCC[C@@H]2c2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000373175082 557644405 /nfs/dbraw/zinc/64/44/05/557644405.db2.gz FAQFROPKXZNWIA-CQSZACIVSA-N 1 2 359.386 2.113 20 5 FEBDLO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373583679 557723371 /nfs/dbraw/zinc/72/33/71/557723371.db2.gz JSNFEEUHUFDZNA-ZFWWWQNUSA-N 1 2 368.401 2.165 20 5 FEBDLO C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373583679 557723373 /nfs/dbraw/zinc/72/33/73/557723373.db2.gz JSNFEEUHUFDZNA-ZFWWWQNUSA-N 1 2 368.401 2.165 20 5 FEBDLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)c1cccs1 ZINC000373586111 557723629 /nfs/dbraw/zinc/72/36/29/557723629.db2.gz QHFOLZLJBZFWQS-OLZOCXBDSA-N 1 2 363.443 2.367 20 5 FEBDLO C[C@@H](NC(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)c1cccs1 ZINC000373586111 557723631 /nfs/dbraw/zinc/72/36/31/557723631.db2.gz QHFOLZLJBZFWQS-OLZOCXBDSA-N 1 2 363.443 2.367 20 5 FEBDLO Cc1ccn2cc(CNC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3C)[nH+]c2c1 ZINC000520547154 562158672 /nfs/dbraw/zinc/15/86/72/562158672.db2.gz OLWGDGUDMXTOHN-UHFFFAOYSA-N 1 2 367.365 2.114 20 5 FEBDLO NC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000374320621 557865161 /nfs/dbraw/zinc/86/51/61/557865161.db2.gz LCSODKJGKPWTCX-SFHVURJKSA-N 1 2 368.393 2.008 20 5 FEBDLO NC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000374320621 557865163 /nfs/dbraw/zinc/86/51/63/557865163.db2.gz LCSODKJGKPWTCX-SFHVURJKSA-N 1 2 368.393 2.008 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374354537 557870821 /nfs/dbraw/zinc/87/08/21/557870821.db2.gz URYZAAWVNUFGOU-ZDUSSCGKSA-N 1 2 364.427 2.069 20 5 FEBDLO COc1ccccc1[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[NH2+]1 ZINC000374373760 557873977 /nfs/dbraw/zinc/87/39/77/557873977.db2.gz UAMFAEQFIBQVCE-HNNXBMFYSA-N 1 2 357.366 2.096 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000374433334 557883484 /nfs/dbraw/zinc/88/34/84/557883484.db2.gz AOYHVMYBUBVWOZ-HUUCEWRRSA-N 1 2 356.382 2.279 20 5 FEBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000374780052 557930149 /nfs/dbraw/zinc/93/01/49/557930149.db2.gz QJAQHCHXYMSGIU-AWEZNQCLSA-N 1 2 361.789 2.012 20 5 FEBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000374862756 557942510 /nfs/dbraw/zinc/94/25/10/557942510.db2.gz MBSBBPPXDVLINO-CQSZACIVSA-N 1 2 361.789 2.012 20 5 FEBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000375496567 558037723 /nfs/dbraw/zinc/03/77/23/558037723.db2.gz NVXIBVCVJXXTON-UHFFFAOYSA-N 1 2 361.427 2.028 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000375764479 558079103 /nfs/dbraw/zinc/07/91/03/558079103.db2.gz NEIFUTRUZUQLAY-WCQYABFASA-N 1 2 359.386 2.493 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000375764479 558079105 /nfs/dbraw/zinc/07/91/05/558079105.db2.gz NEIFUTRUZUQLAY-WCQYABFASA-N 1 2 359.386 2.493 20 5 FEBDLO CCN1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C[C@H]1c1[nH]cc[nH+]1 ZINC000376461293 558176268 /nfs/dbraw/zinc/17/62/68/558176268.db2.gz LBHIGDSZKMIYHI-INIZCTEOSA-N 1 2 373.413 2.296 20 5 FEBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)no1 ZINC000376692126 558209636 /nfs/dbraw/zinc/20/96/36/558209636.db2.gz VPVLRKAVXFDRDL-CQSZACIVSA-N 1 2 360.418 2.481 20 5 FEBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)no1 ZINC000376692126 558209637 /nfs/dbraw/zinc/20/96/37/558209637.db2.gz VPVLRKAVXFDRDL-CQSZACIVSA-N 1 2 360.418 2.481 20 5 FEBDLO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000377631636 558381210 /nfs/dbraw/zinc/38/12/10/558381210.db2.gz YDIAPOPVQQOCOH-UHFFFAOYSA-N 1 2 365.455 2.392 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000377705389 558402013 /nfs/dbraw/zinc/40/20/13/558402013.db2.gz RZUMWNOVEYDBCW-GFCCVEGCSA-N 1 2 351.403 2.431 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000377705389 558402016 /nfs/dbraw/zinc/40/20/16/558402016.db2.gz RZUMWNOVEYDBCW-GFCCVEGCSA-N 1 2 351.403 2.431 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC000377953236 558451058 /nfs/dbraw/zinc/45/10/58/558451058.db2.gz WTQKEXMEABULLV-MRXNPFEDSA-N 1 2 355.398 2.276 20 5 FEBDLO CSc1cccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000378035585 558467360 /nfs/dbraw/zinc/46/73/60/558467360.db2.gz DJYVQSJSLJEFGJ-TZMCWYRMSA-N 1 2 365.455 2.252 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C)CCC2 ZINC000378252164 558512307 /nfs/dbraw/zinc/51/23/07/558512307.db2.gz NRIVPUXFCZRGQC-ZDUSSCGKSA-N 1 2 364.427 2.264 20 5 FEBDLO CCCNC(=O)C[N@H+](CCC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411184889 558850128 /nfs/dbraw/zinc/85/01/28/558850128.db2.gz VKKHZLMYDHRUQT-ZDUSSCGKSA-N 1 2 350.419 2.160 20 5 FEBDLO CCCNC(=O)C[N@@H+](CCC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411184889 558850129 /nfs/dbraw/zinc/85/01/29/558850129.db2.gz VKKHZLMYDHRUQT-ZDUSSCGKSA-N 1 2 350.419 2.160 20 5 FEBDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCCc3ccc([N+](=O)[O-])cc3)[nH+]cn2)C1 ZINC000413081265 559076114 /nfs/dbraw/zinc/07/61/14/559076114.db2.gz ZDUANCHAKPRKIO-UKRRQHHQSA-N 1 2 357.414 2.247 20 5 FEBDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCCc3ccc([N+](=O)[O-])cc3)nc[nH+]2)C1 ZINC000413081265 559076115 /nfs/dbraw/zinc/07/61/15/559076115.db2.gz ZDUANCHAKPRKIO-UKRRQHHQSA-N 1 2 357.414 2.247 20 5 FEBDLO C[C@H](O)[C@@H]1CCN(c2cc(NCCc3cccc([N+](=O)[O-])c3)[nH+]cn2)C1 ZINC000413208703 559088646 /nfs/dbraw/zinc/08/86/46/559088646.db2.gz MZXOYVCWEDUAMB-DZGCQCFKSA-N 1 2 357.414 2.247 20 5 FEBDLO C[C@H](O)[C@@H]1CCN(c2cc(NCCc3cccc([N+](=O)[O-])c3)nc[nH+]2)C1 ZINC000413208703 559088647 /nfs/dbraw/zinc/08/86/47/559088647.db2.gz MZXOYVCWEDUAMB-DZGCQCFKSA-N 1 2 357.414 2.247 20 5 FEBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3F)CC2)no1 ZINC000413248897 559091780 /nfs/dbraw/zinc/09/17/80/559091780.db2.gz OTLAFCGHQJEENR-GFCCVEGCSA-N 1 2 364.381 2.311 20 5 FEBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3F)CC2)no1 ZINC000413248897 559091779 /nfs/dbraw/zinc/09/17/79/559091779.db2.gz OTLAFCGHQJEENR-GFCCVEGCSA-N 1 2 364.381 2.311 20 5 FEBDLO Cn1c2c(cccc2F)[nH+]c1N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000413340381 559099987 /nfs/dbraw/zinc/09/99/87/559099987.db2.gz VXMHPDVAIRUEIX-UHFFFAOYSA-N 1 2 356.361 2.342 20 5 FEBDLO Cc1cc(N[C@H]2C[C@@H]3CCCCN3C2=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413372353 559102868 /nfs/dbraw/zinc/10/28/68/559102868.db2.gz HKVVMVDRWZXCFO-HOTGVXAUSA-N 1 2 367.409 2.347 20 5 FEBDLO COc1c(F)cc(S(=O)(=O)NCc2cc(C)[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC000420695829 559498742 /nfs/dbraw/zinc/49/87/42/559498742.db2.gz FPVIYEDGQJIWKE-UHFFFAOYSA-N 1 2 369.374 2.233 20 5 FEBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420926862 559512084 /nfs/dbraw/zinc/51/20/84/559512084.db2.gz AMOMRBSRBGOPGI-FZMZJTMJSA-N 1 2 362.386 2.178 20 5 FEBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420926862 559512085 /nfs/dbraw/zinc/51/20/85/559512085.db2.gz AMOMRBSRBGOPGI-FZMZJTMJSA-N 1 2 362.386 2.178 20 5 FEBDLO Cc1cc(NC[C@@H]2CCN(C)C(=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000425271375 559694309 /nfs/dbraw/zinc/69/43/09/559694309.db2.gz YDAUPAKGYUIPCE-CYBMUJFWSA-N 1 2 355.398 2.062 20 5 FEBDLO C[C@@]12CC[N@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]1C2(F)F ZINC000428709011 559781624 /nfs/dbraw/zinc/78/16/24/559781624.db2.gz GRZILPHMHNBIBL-UONOGXRCSA-N 1 2 360.382 2.346 20 5 FEBDLO C[C@@]12CC[N@@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]1C2(F)F ZINC000428709011 559781625 /nfs/dbraw/zinc/78/16/25/559781625.db2.gz GRZILPHMHNBIBL-UONOGXRCSA-N 1 2 360.382 2.346 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000434367485 559898983 /nfs/dbraw/zinc/89/89/83/559898983.db2.gz QFNNJONVOJXHFW-KBPBESRZSA-N 1 2 350.419 2.018 20 5 FEBDLO COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[NH+](C)C ZINC000436872815 559955003 /nfs/dbraw/zinc/95/50/03/559955003.db2.gz VDEYYJJFNVVZBU-HNNXBMFYSA-N 1 2 359.382 2.342 20 5 FEBDLO O=[N+]([O-])c1cnc(NCc2cn3cc(Br)ccc3[nH+]2)s1 ZINC000443519025 560086428 /nfs/dbraw/zinc/08/64/28/560086428.db2.gz MWJNRGGYDFMKRI-UHFFFAOYSA-N 1 2 354.189 3.074 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@H](O)Cc2ccccc21 ZINC000447707130 560167767 /nfs/dbraw/zinc/16/77/67/560167767.db2.gz BZMXVLHRZGCYRN-OAHLLOKOSA-N 1 2 364.361 2.344 20 5 FEBDLO CN(CCCn1cc[nH+]c1)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447809975 560169706 /nfs/dbraw/zinc/16/97/06/560169706.db2.gz FEWYKOKAIODLRC-UHFFFAOYSA-N 1 2 359.430 2.150 20 5 FEBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448916728 560206531 /nfs/dbraw/zinc/20/65/31/560206531.db2.gz YEUPROQYDSBJBO-SNVBAGLBSA-N 1 2 361.320 2.064 20 5 FEBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448916728 560206532 /nfs/dbraw/zinc/20/65/32/560206532.db2.gz YEUPROQYDSBJBO-SNVBAGLBSA-N 1 2 361.320 2.064 20 5 FEBDLO CC[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1COC1 ZINC000449423566 560229854 /nfs/dbraw/zinc/22/98/54/560229854.db2.gz HMJXDAPTQVGMNU-UHFFFAOYSA-N 1 2 362.167 2.420 20 5 FEBDLO CC[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1COC1 ZINC000449423566 560229855 /nfs/dbraw/zinc/22/98/55/560229855.db2.gz HMJXDAPTQVGMNU-UHFFFAOYSA-N 1 2 362.167 2.420 20 5 FEBDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000449747383 560238623 /nfs/dbraw/zinc/23/86/23/560238623.db2.gz WNNTUDQMIINJLP-LBPRGKRZSA-N 1 2 372.372 2.432 20 5 FEBDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000449747383 560238624 /nfs/dbraw/zinc/23/86/24/560238624.db2.gz WNNTUDQMIINJLP-LBPRGKRZSA-N 1 2 372.372 2.432 20 5 FEBDLO O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450136130 560251795 /nfs/dbraw/zinc/25/17/95/560251795.db2.gz ZPYVXAWKCYNRNV-JJRVBVJISA-N 1 2 356.382 2.468 20 5 FEBDLO CCOC(=O)C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450286176 560257024 /nfs/dbraw/zinc/25/70/24/560257024.db2.gz LMVZDAOZGPOQJA-GFCCVEGCSA-N 1 2 360.370 2.100 20 5 FEBDLO CCOC(=O)C[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450550343 560265905 /nfs/dbraw/zinc/26/59/05/560265905.db2.gz XGSGPAKBNNCGET-LBPRGKRZSA-N 1 2 360.370 2.194 20 5 FEBDLO O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450633789 560268714 /nfs/dbraw/zinc/26/87/14/560268714.db2.gz CPOSZYUDCCMRPY-RHSMWYFYSA-N 1 2 356.382 2.468 20 5 FEBDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000451937082 560339211 /nfs/dbraw/zinc/33/92/11/560339211.db2.gz VJJOGVDMKFMLGM-AWEZNQCLSA-N 1 2 355.460 2.316 20 5 FEBDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000451937082 560339212 /nfs/dbraw/zinc/33/92/12/560339212.db2.gz VJJOGVDMKFMLGM-AWEZNQCLSA-N 1 2 355.460 2.316 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2COC)c([N+](=O)[O-])c1 ZINC000452042536 560347329 /nfs/dbraw/zinc/34/73/29/560347329.db2.gz UGQWHHYJXVTFQZ-CYBMUJFWSA-N 1 2 351.403 2.433 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2COC)c([N+](=O)[O-])c1 ZINC000452042536 560347330 /nfs/dbraw/zinc/34/73/30/560347330.db2.gz UGQWHHYJXVTFQZ-CYBMUJFWSA-N 1 2 351.403 2.433 20 5 FEBDLO CC(C)(C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)[NH+]1CCOCC1 ZINC000452844500 560376074 /nfs/dbraw/zinc/37/60/74/560376074.db2.gz ITRNFPDLDQLWGU-INIZCTEOSA-N 1 2 361.442 2.412 20 5 FEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000453976567 560418418 /nfs/dbraw/zinc/41/84/18/560418418.db2.gz OCUOARFLWVEQRU-VIFPVBQESA-N 1 2 365.777 2.281 20 5 FEBDLO COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000456169796 560509500 /nfs/dbraw/zinc/50/95/00/560509500.db2.gz DXBUMBOEEIHUFI-KGLIPLIRSA-N 1 2 372.381 2.242 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000456364461 560517675 /nfs/dbraw/zinc/51/76/75/560517675.db2.gz CQGGLOIOHCOTRS-BMFZPTHFSA-N 1 2 370.409 2.404 20 5 FEBDLO CCOC(=O)c1cc(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc([N+](=O)[O-])c1 ZINC000456401043 560519305 /nfs/dbraw/zinc/51/93/05/560519305.db2.gz VNTUTPVEOGQTHN-QMTHXVAHSA-N 1 2 358.354 2.404 20 5 FEBDLO CC1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H]2COC[C@@H]21 ZINC000457081613 560547592 /nfs/dbraw/zinc/54/75/92/560547592.db2.gz HJZMKIVWTIQMHI-XJKSGUPXSA-N 1 2 356.382 2.278 20 5 FEBDLO CO[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C12CCC2 ZINC000458155882 560605741 /nfs/dbraw/zinc/60/57/41/560605741.db2.gz BUDFFBHVPYWTSA-CVEARBPZSA-N 1 2 356.382 2.468 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459679387 560701918 /nfs/dbraw/zinc/70/19/18/560701918.db2.gz QGVGOKNPTSJGAK-UKRRQHHQSA-N 1 2 361.398 2.043 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459679387 560701919 /nfs/dbraw/zinc/70/19/19/560701919.db2.gz QGVGOKNPTSJGAK-UKRRQHHQSA-N 1 2 361.398 2.043 20 5 FEBDLO CN(C)c1[nH+]cccc1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465078411 560857909 /nfs/dbraw/zinc/85/79/09/560857909.db2.gz CKCMQIVBHYZKBK-UHFFFAOYSA-N 1 2 358.354 2.008 20 5 FEBDLO COc1ccc(CNC(=O)NCc2[nH+]ccn2CC(C)C)cc1[N+](=O)[O-] ZINC000465729908 560871814 /nfs/dbraw/zinc/87/18/14/560871814.db2.gz SOKIJILTWXHOIR-UHFFFAOYSA-N 1 2 361.402 2.455 20 5 FEBDLO COc1cc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)c([N+](=O)[O-])cc1O ZINC000469203601 560949918 /nfs/dbraw/zinc/94/99/18/560949918.db2.gz SFAIADPCMNEDSL-UHFFFAOYSA-N 1 2 372.424 2.064 20 5 FEBDLO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469410649 560954549 /nfs/dbraw/zinc/95/45/49/560954549.db2.gz VHJGHXUDLQQLFT-INIZCTEOSA-N 1 2 356.382 2.395 20 5 FEBDLO COc1cc(C(=O)NCCNc2ccc3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000469750812 560963631 /nfs/dbraw/zinc/96/36/31/560963631.db2.gz YTTVKKUOODEBHW-UHFFFAOYSA-N 1 2 366.377 2.994 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000469827264 560965435 /nfs/dbraw/zinc/96/54/35/560965435.db2.gz BGRHSPWJXDSXML-MWLCHTKSSA-N 1 2 355.778 2.070 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000469827264 560965436 /nfs/dbraw/zinc/96/54/36/560965436.db2.gz BGRHSPWJXDSXML-MWLCHTKSSA-N 1 2 355.778 2.070 20 5 FEBDLO O=C(NCCNc1ccc([N+](=O)[O-])cc1)NCc1ccn2cc[nH+]c2c1 ZINC000475011640 561087751 /nfs/dbraw/zinc/08/77/51/561087751.db2.gz ZGVSHBOCBXHTHY-UHFFFAOYSA-N 1 2 354.370 2.154 20 5 FEBDLO COC(=O)[C@@H](CC(C)C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000475087052 561090169 /nfs/dbraw/zinc/09/01/69/561090169.db2.gz JBZSBUYGBGEUJL-IUODEOHRSA-N 1 2 351.403 2.489 20 5 FEBDLO COc1cc(C(=O)NCc2ccn3cc[nH+]c3c2)cc([N+](=O)[O-])c1OC ZINC000475722356 561103369 /nfs/dbraw/zinc/10/33/69/561103369.db2.gz QXWXRJYVWKLFDY-UHFFFAOYSA-N 1 2 356.338 2.190 20 5 FEBDLO Cn1nc([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000476391526 561118279 /nfs/dbraw/zinc/11/82/79/561118279.db2.gz VAVWBCIXYBPIKW-UHFFFAOYSA-N 1 2 358.402 2.034 20 5 FEBDLO COc1ccc(CC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000531834922 562458381 /nfs/dbraw/zinc/45/83/81/562458381.db2.gz WWCGUUBFUZPDQD-BBRMVZONSA-N 1 2 358.398 2.452 20 5 FEBDLO C[C@@H]1C[NH+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H](C)S1 ZINC000533291028 562503928 /nfs/dbraw/zinc/50/39/28/562503928.db2.gz SZFAYRKXJWWXNI-NXEZZACHSA-N 1 2 353.400 2.088 20 5 FEBDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000534530400 562536198 /nfs/dbraw/zinc/53/61/98/562536198.db2.gz CTMVGZQTYVEXIU-OAHLLOKOSA-N 1 2 365.386 2.199 20 5 FEBDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000534530400 562536199 /nfs/dbraw/zinc/53/61/99/562536199.db2.gz CTMVGZQTYVEXIU-OAHLLOKOSA-N 1 2 365.386 2.199 20 5 FEBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000569736230 568414901 /nfs/dbraw/zinc/41/49/01/568414901.db2.gz SRUDJEOMRLAEQQ-CYBMUJFWSA-N 1 2 363.320 2.490 20 5 FEBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000826500692 608498786 /nfs/dbraw/zinc/49/87/86/608498786.db2.gz IEEINBFYQHRSOA-UHFFFAOYSA-N 1 2 371.426 2.159 20 5 FEBDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815028501 674902356 /nfs/dbraw/zinc/90/23/56/674902356.db2.gz CVPNZIYJLQWBII-IUCAKERBSA-N 1 2 365.814 2.100 20 5 FEBDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815028501 674902358 /nfs/dbraw/zinc/90/23/58/674902358.db2.gz CVPNZIYJLQWBII-IUCAKERBSA-N 1 2 365.814 2.100 20 5 FEBDLO COc1cc(C[NH+]2CCC(OC(=O)N(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000815191040 674928048 /nfs/dbraw/zinc/92/80/48/674928048.db2.gz KJPPCEHUWJDDHT-UHFFFAOYSA-N 1 2 355.366 2.405 20 5 FEBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 ZINC000101568703 670768252 /nfs/dbraw/zinc/76/82/52/670768252.db2.gz ARQYBWBKJVMUDQ-GFCCVEGCSA-N 1 2 373.818 2.422 20 5 FEBDLO COCCOC1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000116887366 670909406 /nfs/dbraw/zinc/90/94/06/670909406.db2.gz OIXJKVPQGFMOTN-UHFFFAOYSA-N 1 2 371.821 2.314 20 5 FEBDLO CCc1ccc(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000571914976 670940394 /nfs/dbraw/zinc/94/03/94/670940394.db2.gz AAKQNJYCBDHPSW-CYBMUJFWSA-N 1 2 364.427 2.069 20 5 FEBDLO CS(=O)(=O)c1ccc(N2CCC(c3c[nH]c[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000610575904 675982208 /nfs/dbraw/zinc/98/22/08/675982208.db2.gz ADZFBRSSQYZSPZ-UHFFFAOYSA-N 1 2 350.400 2.105 20 5 FEBDLO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000174861116 672363939 /nfs/dbraw/zinc/36/39/39/672363939.db2.gz ZNHPOKSFFHKAOP-BETUJISGSA-N 1 2 353.423 2.121 20 5 FEBDLO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000174861116 672363941 /nfs/dbraw/zinc/36/39/41/672363941.db2.gz ZNHPOKSFFHKAOP-BETUJISGSA-N 1 2 353.423 2.121 20 5 FEBDLO Cc1cc(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)cc([N+](=O)[O-])c1F ZINC000180110127 672408937 /nfs/dbraw/zinc/40/89/37/672408937.db2.gz GSSQIPWWWGDFFL-UHFFFAOYSA-N 1 2 364.358 2.169 20 5 FEBDLO Cc1cc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000590588990 672592891 /nfs/dbraw/zinc/59/28/91/672592891.db2.gz FWMQYHAFGWWQMX-ZDUSSCGKSA-N 1 2 371.390 2.217 20 5 FEBDLO O=C1[C@@H]([N@@H+]2CCC[C@@H](OC(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000611577155 676045473 /nfs/dbraw/zinc/04/54/73/676045473.db2.gz GGFUWUDYTSYAID-KGLIPLIRSA-N 1 2 355.341 2.404 20 5 FEBDLO O=C1[C@@H]([N@H+]2CCC[C@@H](OC(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000611577155 676045475 /nfs/dbraw/zinc/04/54/75/676045475.db2.gz GGFUWUDYTSYAID-KGLIPLIRSA-N 1 2 355.341 2.404 20 5 FEBDLO C[C@H](CNC(=O)CSc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594097802 673030841 /nfs/dbraw/zinc/03/08/41/673030841.db2.gz CIIGENXSTJBLJX-MCIONIFRSA-N 1 2 367.471 2.301 20 5 FEBDLO C[C@H](CNC(=O)CSc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594097802 673030845 /nfs/dbraw/zinc/03/08/45/673030845.db2.gz CIIGENXSTJBLJX-MCIONIFRSA-N 1 2 367.471 2.301 20 5 FEBDLO C[N@H+](CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000462557301 673262272 /nfs/dbraw/zinc/26/22/72/673262272.db2.gz UHKVKTKNRWWYKS-UHFFFAOYSA-N 1 2 368.242 2.274 20 5 FEBDLO C[N@@H+](CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000462557301 673262276 /nfs/dbraw/zinc/26/22/76/673262276.db2.gz UHKVKTKNRWWYKS-UHFFFAOYSA-N 1 2 368.242 2.274 20 5 FEBDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)[C@@H](C)CO1 ZINC000597092019 673446455 /nfs/dbraw/zinc/44/64/55/673446455.db2.gz IKZHYSLMLPNDIL-VHSXEESVSA-N 1 2 371.825 2.061 20 5 FEBDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)[C@@H](C)CO1 ZINC000597092019 673446456 /nfs/dbraw/zinc/44/64/56/673446456.db2.gz IKZHYSLMLPNDIL-VHSXEESVSA-N 1 2 371.825 2.061 20 5 FEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000597995368 673527925 /nfs/dbraw/zinc/52/79/25/673527925.db2.gz FMVOPAHGWBEZKS-NEPJUHHUSA-N 1 2 355.822 2.016 20 5 FEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000597995368 673527930 /nfs/dbraw/zinc/52/79/30/673527930.db2.gz FMVOPAHGWBEZKS-NEPJUHHUSA-N 1 2 355.822 2.016 20 5 FEBDLO CC[N@@H+]1CC[C@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000542120879 673562403 /nfs/dbraw/zinc/56/24/03/673562403.db2.gz DOLAYQWTJUQACT-QWRGUYRKSA-N 1 2 361.489 2.369 20 5 FEBDLO CC[N@H+]1CC[C@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000542120879 673562405 /nfs/dbraw/zinc/56/24/05/673562405.db2.gz DOLAYQWTJUQACT-QWRGUYRKSA-N 1 2 361.489 2.369 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC(C)(C)CC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000598650027 673593999 /nfs/dbraw/zinc/59/39/99/673593999.db2.gz XIHAWODTWSNETB-LBPRGKRZSA-N 1 2 351.403 2.025 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC(C)(C)CC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000598650027 673594004 /nfs/dbraw/zinc/59/40/04/673594004.db2.gz XIHAWODTWSNETB-LBPRGKRZSA-N 1 2 351.403 2.025 20 5 FEBDLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000741146922 673672924 /nfs/dbraw/zinc/67/29/24/673672924.db2.gz QTXZGNJVLPJTHS-LBPRGKRZSA-N 1 2 355.778 2.214 20 5 FEBDLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000741146922 673672928 /nfs/dbraw/zinc/67/29/28/673672928.db2.gz QTXZGNJVLPJTHS-LBPRGKRZSA-N 1 2 355.778 2.214 20 5 FEBDLO CC[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1nccs1 ZINC000544417133 673711097 /nfs/dbraw/zinc/71/10/97/673711097.db2.gz PGTJRDDCBVCOOM-VIFPVBQESA-N 1 2 364.383 2.459 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])s1 ZINC000601370523 673849850 /nfs/dbraw/zinc/84/98/50/673849850.db2.gz TXHLLTKXFAXBES-JQWIXIFHSA-N 1 2 370.456 2.433 20 5 FEBDLO CC[C@H](C)[C@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)OC ZINC000602447050 673906135 /nfs/dbraw/zinc/90/61/35/673906135.db2.gz KWRQAOYVVIGOIU-STQMWFEESA-N 1 2 355.460 2.475 20 5 FEBDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)CO1 ZINC000820827944 675391753 /nfs/dbraw/zinc/39/17/53/675391753.db2.gz QCWVDSMUPVFBEK-GHMZBOCLSA-N 1 2 356.810 2.479 20 5 FEBDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)CO1 ZINC000820827944 675391754 /nfs/dbraw/zinc/39/17/54/675391754.db2.gz QCWVDSMUPVFBEK-GHMZBOCLSA-N 1 2 356.810 2.479 20 5 FEBDLO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000823252775 675539494 /nfs/dbraw/zinc/53/94/94/675539494.db2.gz GOXDSSZFFSRAKI-LLVKDONJSA-N 1 2 354.794 2.187 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000824948491 675630369 /nfs/dbraw/zinc/63/03/69/675630369.db2.gz GIYWOUGDHXUKCA-NWDGAFQWSA-N 1 2 353.444 2.156 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000824948491 675630371 /nfs/dbraw/zinc/63/03/71/675630371.db2.gz GIYWOUGDHXUKCA-NWDGAFQWSA-N 1 2 353.444 2.156 20 5 FEBDLO O=C(N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839679056 680771368 /nfs/dbraw/zinc/77/13/68/680771368.db2.gz CGQFHVYUSLRRNM-GZBFAFLISA-N 1 2 355.797 2.225 20 5 FEBDLO O=C(N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839679056 680771370 /nfs/dbraw/zinc/77/13/70/680771370.db2.gz CGQFHVYUSLRRNM-GZBFAFLISA-N 1 2 355.797 2.225 20 5 FEBDLO Cn1c[nH+]cc1CC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839870036 680784768 /nfs/dbraw/zinc/78/47/68/680784768.db2.gz QYCUKNZJSSSXRS-ZDUSSCGKSA-N 1 2 360.267 2.430 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C1)CC[NH+](C/C(Cl)=C/Cl)CC2 ZINC001040700141 680483380 /nfs/dbraw/zinc/48/33/80/680483380.db2.gz JVPODPPSVXNRIE-FUTHCOOYSA-N 1 2 362.257 2.285 20 5 FEBDLO NC(=O)CCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000767770900 680925732 /nfs/dbraw/zinc/92/57/32/680925732.db2.gz BCXVTFSBZFHNEH-UHFFFAOYSA-N 1 2 368.821 2.164 20 5 FEBDLO COCCOCC[NH+]1CCN(c2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000845774558 681151699 /nfs/dbraw/zinc/15/16/99/681151699.db2.gz UTPOSBIWHZBUOY-UHFFFAOYSA-N 1 2 357.838 2.342 20 5 FEBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000874705866 685450208 /nfs/dbraw/zinc/45/02/08/685450208.db2.gz HWYICDSFVAEXOX-ZDUSSCGKSA-N 1 2 355.822 2.397 20 5 FEBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000874705866 685450213 /nfs/dbraw/zinc/45/02/13/685450213.db2.gz HWYICDSFVAEXOX-ZDUSSCGKSA-N 1 2 355.822 2.397 20 5 FEBDLO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000851820920 682147706 /nfs/dbraw/zinc/14/77/06/682147706.db2.gz KUVQJEGMGXSSHZ-VIFPVBQESA-N 1 2 365.814 2.150 20 5 FEBDLO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000851820920 682147713 /nfs/dbraw/zinc/14/77/13/682147713.db2.gz KUVQJEGMGXSSHZ-VIFPVBQESA-N 1 2 365.814 2.150 20 5 FEBDLO CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000851941492 682189168 /nfs/dbraw/zinc/18/91/68/682189168.db2.gz KKAPFIXJPYFMRO-UHFFFAOYSA-N 1 2 357.382 2.053 20 5 FEBDLO CC(C)(C)OC(=O)NCC[N@@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000851941492 682189173 /nfs/dbraw/zinc/18/91/73/682189173.db2.gz KKAPFIXJPYFMRO-UHFFFAOYSA-N 1 2 357.382 2.053 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)[C@H]1C ZINC000787328697 682450799 /nfs/dbraw/zinc/45/07/99/682450799.db2.gz SYKHAFCJSWFZBP-HOSYDEDBSA-N 1 2 369.805 2.459 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)[C@H]1C ZINC000787328697 682450801 /nfs/dbraw/zinc/45/08/01/682450801.db2.gz SYKHAFCJSWFZBP-HOSYDEDBSA-N 1 2 369.805 2.459 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000854726709 682586471 /nfs/dbraw/zinc/58/64/71/682586471.db2.gz GWJJMXVOKMWGIC-AWEZNQCLSA-N 1 2 367.833 2.493 20 5 FEBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000790739487 682698399 /nfs/dbraw/zinc/69/83/99/682698399.db2.gz BAFJYYQPAQJZPS-TXEJJXNPSA-N 1 2 372.780 2.336 20 5 FEBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000790739487 682698402 /nfs/dbraw/zinc/69/84/02/682698402.db2.gz BAFJYYQPAQJZPS-TXEJJXNPSA-N 1 2 372.780 2.336 20 5 FEBDLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000858324976 682957258 /nfs/dbraw/zinc/95/72/58/682957258.db2.gz KSQOURMBLKPMJV-SNVBAGLBSA-N 1 2 350.400 2.216 20 5 FEBDLO CC[C@@H]1C[C@H]1C[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000929145648 683552267 /nfs/dbraw/zinc/55/22/67/683552267.db2.gz GEMMWRYZVFYFJY-KGLIPLIRSA-N 1 2 367.471 2.166 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CC[C@H](C(F)(F)F)O3)CC2)cn1 ZINC000929171158 683556627 /nfs/dbraw/zinc/55/66/27/683556627.db2.gz GXHAFDMQKLIQPH-QWHCGFSZSA-N 1 2 360.336 2.222 20 5 FEBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000922493555 683734921 /nfs/dbraw/zinc/73/49/21/683734921.db2.gz RANOBAAQYOQANR-CYBMUJFWSA-N 1 2 373.203 2.121 20 5 FEBDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000922493555 683734924 /nfs/dbraw/zinc/73/49/24/683734924.db2.gz RANOBAAQYOQANR-CYBMUJFWSA-N 1 2 373.203 2.121 20 5 FEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932005831 684387449 /nfs/dbraw/zinc/38/74/49/684387449.db2.gz XNAZOWAMBHIQAN-GHMZBOCLSA-N 1 2 369.805 2.270 20 5 FEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932005831 684387457 /nfs/dbraw/zinc/38/74/57/684387457.db2.gz XNAZOWAMBHIQAN-GHMZBOCLSA-N 1 2 369.805 2.270 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000888279562 688576423 /nfs/dbraw/zinc/57/64/23/688576423.db2.gz JRFDECGZOAPIPS-GFCCVEGCSA-N 1 2 368.821 2.495 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908145624 691624652 /nfs/dbraw/zinc/62/46/52/691624652.db2.gz NYBRQHXHZHPXRL-PWSUYJOCSA-N 1 2 371.796 2.323 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000359941957 210199692 /nfs/dbraw/zinc/19/96/92/210199692.db2.gz QDUSWSLCAVPXQZ-CQSZACIVSA-N 1 2 359.386 2.076 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000359941957 210199695 /nfs/dbraw/zinc/19/96/95/210199695.db2.gz QDUSWSLCAVPXQZ-CQSZACIVSA-N 1 2 359.386 2.076 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1[nH+]cnc2c1cnn2C ZINC000011677336 539531491 /nfs/dbraw/zinc/53/14/91/539531491.db2.gz ZLIMFVAIZVYDPZ-UHFFFAOYSA-N 1 2 358.383 2.311 20 5 FEBDLO COc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3C)c([N+](=O)[O-])c1 ZINC000011676655 539531614 /nfs/dbraw/zinc/53/16/14/539531614.db2.gz NLRPCIMOOLDCKV-UHFFFAOYSA-N 1 2 374.382 2.011 20 5 FEBDLO COc1cccc([C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)c2[nH+]ccn2C)c1 ZINC000024020873 539723864 /nfs/dbraw/zinc/72/38/64/539723864.db2.gz KMDLFQVXLUKKJO-INIZCTEOSA-N 1 2 369.381 2.195 20 5 FEBDLO Cn1cc[nH+]c1[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000028491561 539833058 /nfs/dbraw/zinc/83/30/58/539833058.db2.gz PNEMJIFMGSCVLI-OAHLLOKOSA-N 1 2 374.788 2.084 20 5 FEBDLO CN(C(=O)CN1CC[NH+](Cc2ccsc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000029120312 539843365 /nfs/dbraw/zinc/84/33/65/539843365.db2.gz XRNKJIMZSDIPCH-UHFFFAOYSA-N 1 2 374.466 2.437 20 5 FEBDLO Cc1c(C(=O)NCc2ccc[nH+]c2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000031327286 539904743 /nfs/dbraw/zinc/90/47/43/539904743.db2.gz VZCJKAKLVNOLRM-UHFFFAOYSA-N 1 2 356.382 2.065 20 5 FEBDLO COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032153401 539929976 /nfs/dbraw/zinc/92/99/76/539929976.db2.gz QUYVEJLCRWBLBO-ZDUSSCGKSA-N 1 2 360.370 2.098 20 5 FEBDLO O=C(CC[NH+]1CCN(CC(F)(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000041896812 540039089 /nfs/dbraw/zinc/03/90/89/540039089.db2.gz XCTHKVOWHZXLAU-UHFFFAOYSA-N 1 2 360.336 2.103 20 5 FEBDLO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744229 540327014 /nfs/dbraw/zinc/32/70/14/540327014.db2.gz ZKQMEYYONLUQMX-INIZCTEOSA-N 1 2 368.437 2.422 20 5 FEBDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000051877326 540447187 /nfs/dbraw/zinc/44/71/87/540447187.db2.gz YUEHJEWZDRHXIZ-KRWDZBQOSA-N 1 2 355.394 2.147 20 5 FEBDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000051877326 540447190 /nfs/dbraw/zinc/44/71/90/540447190.db2.gz YUEHJEWZDRHXIZ-KRWDZBQOSA-N 1 2 355.394 2.147 20 5 FEBDLO C[N@H+](CC(=O)NCCOc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000052589671 540475867 /nfs/dbraw/zinc/47/58/67/540475867.db2.gz KWFXDZPKWUUNRD-UHFFFAOYSA-N 1 2 361.373 2.361 20 5 FEBDLO C[N@@H+](CC(=O)NCCOc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000052589671 540475870 /nfs/dbraw/zinc/47/58/70/540475870.db2.gz KWFXDZPKWUUNRD-UHFFFAOYSA-N 1 2 361.373 2.361 20 5 FEBDLO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[NH+](Cc2ccncc2)CC1 ZINC000052609556 540477359 /nfs/dbraw/zinc/47/73/59/540477359.db2.gz UBWXMUNPHTXCOS-UHFFFAOYSA-N 1 2 365.393 2.429 20 5 FEBDLO Cc1noc([C@@H]2CCC[N@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000052861478 540495386 /nfs/dbraw/zinc/49/53/86/540495386.db2.gz ODPGYANSXRMDQJ-CYBMUJFWSA-N 1 2 359.386 2.413 20 5 FEBDLO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000052861478 540495389 /nfs/dbraw/zinc/49/53/89/540495389.db2.gz ODPGYANSXRMDQJ-CYBMUJFWSA-N 1 2 359.386 2.413 20 5 FEBDLO COc1cc(C(=O)NCCCn2cc[nH+]c2)c([N+](=O)[O-])cc1OC(F)F ZINC000053887287 540558299 /nfs/dbraw/zinc/55/82/99/540558299.db2.gz AHBDCTGMXAMSMX-UHFFFAOYSA-N 1 2 370.312 2.221 20 5 FEBDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)cn2c1 ZINC000055295775 540645190 /nfs/dbraw/zinc/64/51/90/540645190.db2.gz IEMTVBBSCJQSSO-UHFFFAOYSA-N 1 2 364.358 2.169 20 5 FEBDLO C[C@H]1CN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3F)c[nH+]2)CCO1 ZINC000055386897 540650035 /nfs/dbraw/zinc/65/00/35/540650035.db2.gz SKQXLQYKDLANSM-LBPRGKRZSA-N 1 2 374.372 2.284 20 5 FEBDLO O=C(c1ccco1)N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055897450 540683896 /nfs/dbraw/zinc/68/38/96/540683896.db2.gz QOCXRCLPNNCMBT-UHFFFAOYSA-N 1 2 359.382 2.415 20 5 FEBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccsc1 ZINC000064245305 541197211 /nfs/dbraw/zinc/19/72/11/541197211.db2.gz BKFRUAHYHZYFFX-JTQLQIEISA-N 1 2 361.470 2.299 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(C[C@@H]1CCOC1)C1CC1 ZINC000064319466 541200567 /nfs/dbraw/zinc/20/05/67/541200567.db2.gz FZJGHSCQGWRCPT-ZDUSSCGKSA-N 1 2 356.382 2.422 20 5 FEBDLO Cc1noc(C2CC[NH+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2)n1 ZINC000064939898 541221658 /nfs/dbraw/zinc/22/16/58/541221658.db2.gz MRNMSLJAPNCXHH-UHFFFAOYSA-N 1 2 371.397 2.055 20 5 FEBDLO COc1ccc(CC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000067905824 541527068 /nfs/dbraw/zinc/52/70/68/541527068.db2.gz MCQLHZSWAKRVKI-UHFFFAOYSA-N 1 2 358.398 2.038 20 5 FEBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000069470238 541687894 /nfs/dbraw/zinc/68/78/94/541687894.db2.gz PBOVHALQPGBGQI-UHFFFAOYSA-N 1 2 359.386 2.217 20 5 FEBDLO CC(C)C(=O)N1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000069609453 541700109 /nfs/dbraw/zinc/70/01/09/541700109.db2.gz ZUYWFVFJILRTID-UHFFFAOYSA-N 1 2 373.413 2.335 20 5 FEBDLO CC(C)C(=O)N1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000069609453 541700113 /nfs/dbraw/zinc/70/01/13/541700113.db2.gz ZUYWFVFJILRTID-UHFFFAOYSA-N 1 2 373.413 2.335 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000072611392 541837642 /nfs/dbraw/zinc/83/76/42/541837642.db2.gz YKRLZFZSWWNABS-JSGCOSHPSA-N 1 2 361.320 2.229 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000072611392 541837648 /nfs/dbraw/zinc/83/76/48/541837648.db2.gz YKRLZFZSWWNABS-JSGCOSHPSA-N 1 2 361.320 2.229 20 5 FEBDLO O=C(NCCNc1ccc([N+](=O)[O-])cc1)NCCc1cn2c([nH+]1)CCCC2 ZINC000075579658 542189615 /nfs/dbraw/zinc/18/96/15/542189615.db2.gz XTMYXPMNVNYEKJ-UHFFFAOYSA-N 1 2 372.429 2.081 20 5 FEBDLO CNc1ccc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000075711535 542199150 /nfs/dbraw/zinc/19/91/50/542199150.db2.gz BYIJQAIFJMMWAS-UHFFFAOYSA-N 1 2 357.292 2.325 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000076881666 542327560 /nfs/dbraw/zinc/32/75/60/542327560.db2.gz CQZSIJFUKFVANT-OAHLLOKOSA-N 1 2 372.425 2.286 20 5 FEBDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000077377218 542374286 /nfs/dbraw/zinc/37/42/86/542374286.db2.gz TXYDBCNKHPWVQN-SNVBAGLBSA-N 1 2 355.441 2.497 20 5 FEBDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000077377218 542374291 /nfs/dbraw/zinc/37/42/91/542374291.db2.gz TXYDBCNKHPWVQN-SNVBAGLBSA-N 1 2 355.441 2.497 20 5 FEBDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000078544510 542466949 /nfs/dbraw/zinc/46/69/49/542466949.db2.gz IDFNBTMMUSZHRA-NSHDSACASA-N 1 2 355.826 2.006 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(CC(N)=O)CC1 ZINC000080013892 542557974 /nfs/dbraw/zinc/55/79/74/542557974.db2.gz YZVRFUGBRUOXQK-JTQLQIEISA-N 1 2 368.821 2.163 20 5 FEBDLO CCc1nn(C)c(NC[C@@H](c2cccs2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000092827150 542889646 /nfs/dbraw/zinc/88/96/46/542889646.db2.gz YYBNQIXEQNEKOS-ZDUSSCGKSA-N 1 2 365.459 2.438 20 5 FEBDLO O=[N+]([O-])c1cc(Br)cnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000096573028 542999473 /nfs/dbraw/zinc/99/94/73/542999473.db2.gz LIWZRSSFNYZPGR-UHFFFAOYSA-N 1 2 364.203 2.474 20 5 FEBDLO O=C(NC[C@H](O)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000104909183 543149961 /nfs/dbraw/zinc/14/99/61/543149961.db2.gz YEAHAKOQVQZESD-MRXNPFEDSA-N 1 2 366.377 2.114 20 5 FEBDLO CNC(=O)c1ccc(N2CCc3c([nH+]c(C(C)C)n3C)C2)c([N+](=O)[O-])c1 ZINC000106369328 543226216 /nfs/dbraw/zinc/22/62/16/543226216.db2.gz DASQLKZPXYSOQK-UHFFFAOYSA-N 1 2 357.414 2.374 20 5 FEBDLO Cc1cccn2cc(CCNS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH+]c12 ZINC000107321624 543266299 /nfs/dbraw/zinc/26/62/99/543266299.db2.gz OAKDQQLCJPBDCC-UHFFFAOYSA-N 1 2 374.422 2.380 20 5 FEBDLO O=C(NCCCNc1cccc[nH+]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000115159981 543553154 /nfs/dbraw/zinc/55/31/54/543553154.db2.gz ZVKJAYLVXTXNFE-UHFFFAOYSA-N 1 2 366.381 2.408 20 5 FEBDLO Cn1ccnc1C(=O)c1ccc(NCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000115923595 543594211 /nfs/dbraw/zinc/59/42/11/543594211.db2.gz VMVRBYNJQADFCI-UHFFFAOYSA-N 1 2 366.381 2.478 20 5 FEBDLO Cn1c[nH+]cc1CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000121324216 543692925 /nfs/dbraw/zinc/69/29/25/543692925.db2.gz FRVCVHFDCYKKLP-UHFFFAOYSA-N 1 2 354.819 2.433 20 5 FEBDLO CN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000124367731 543817345 /nfs/dbraw/zinc/81/73/45/543817345.db2.gz OLGZVAPPMMZTIU-GOSISDBHSA-N 1 2 355.394 2.459 20 5 FEBDLO CN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000124367731 543817348 /nfs/dbraw/zinc/81/73/48/543817348.db2.gz OLGZVAPPMMZTIU-GOSISDBHSA-N 1 2 355.394 2.459 20 5 FEBDLO O=C(CN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1F ZINC000124043168 543798430 /nfs/dbraw/zinc/79/84/30/543798430.db2.gz ZPPDWXIQRLTGCV-UHFFFAOYSA-N 1 2 372.400 2.490 20 5 FEBDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000127814845 544015696 /nfs/dbraw/zinc/01/56/96/544015696.db2.gz LAAQTKKMDPSKOG-UHFFFAOYSA-N 1 2 371.397 2.401 20 5 FEBDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000127459730 543994393 /nfs/dbraw/zinc/99/43/93/543994393.db2.gz FVBSEWJOXFCXAF-UHFFFAOYSA-N 1 2 351.384 2.140 20 5 FEBDLO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(=O)OC(C)(C)C ZINC000128444943 544053098 /nfs/dbraw/zinc/05/30/98/544053098.db2.gz KBLFLTUHSDAUQY-UHFFFAOYSA-N 1 2 355.366 2.336 20 5 FEBDLO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(=O)OC(C)(C)C ZINC000128444943 544053100 /nfs/dbraw/zinc/05/31/00/544053100.db2.gz KBLFLTUHSDAUQY-UHFFFAOYSA-N 1 2 355.366 2.336 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000129698777 544123589 /nfs/dbraw/zinc/12/35/89/544123589.db2.gz ASQRJGAIODLOFI-UHFFFAOYSA-N 1 2 373.862 2.497 20 5 FEBDLO CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCOCC1 ZINC000105585951 222370839 /nfs/dbraw/zinc/37/08/39/222370839.db2.gz QBCWVUVEVFISAL-HNNXBMFYSA-N 1 2 355.822 2.335 20 5 FEBDLO C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1n1cc[nH+]c1 ZINC000151278627 544523525 /nfs/dbraw/zinc/52/35/25/544523525.db2.gz MUXIAFZMLALDSK-QWRGUYRKSA-N 1 2 356.429 2.125 20 5 FEBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000152446210 544654179 /nfs/dbraw/zinc/65/41/79/544654179.db2.gz SFDKWTBWDDGYDM-ZDUSSCGKSA-N 1 2 374.372 2.293 20 5 FEBDLO COc1ccc(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000152448181 544654627 /nfs/dbraw/zinc/65/46/27/544654627.db2.gz WRZTVLAZEGAYHX-CQSZACIVSA-N 1 2 356.382 2.397 20 5 FEBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000153281398 544756306 /nfs/dbraw/zinc/75/63/06/544756306.db2.gz RKKTXGHPWAFHIB-ZWKOTPCHSA-N 1 2 359.426 2.123 20 5 FEBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000153281398 544756309 /nfs/dbraw/zinc/75/63/09/544756309.db2.gz RKKTXGHPWAFHIB-ZWKOTPCHSA-N 1 2 359.426 2.123 20 5 FEBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154357313 544895446 /nfs/dbraw/zinc/89/54/46/544895446.db2.gz VNTXXPLHWMXVBY-KXBFYZLASA-N 1 2 356.426 2.402 20 5 FEBDLO C[C@@H](c1cccnc1)N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154357313 544895450 /nfs/dbraw/zinc/89/54/50/544895450.db2.gz VNTXXPLHWMXVBY-KXBFYZLASA-N 1 2 356.426 2.402 20 5 FEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000154458696 544909099 /nfs/dbraw/zinc/90/90/99/544909099.db2.gz ASIJRCPPNFJSGA-UFYCRDLUSA-N 1 2 372.421 2.453 20 5 FEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000154458696 544909101 /nfs/dbraw/zinc/90/91/01/544909101.db2.gz ASIJRCPPNFJSGA-UFYCRDLUSA-N 1 2 372.421 2.453 20 5 FEBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000179540752 327648921 /nfs/dbraw/zinc/64/89/21/327648921.db2.gz WJFBYGNTCGHXEL-CQSZACIVSA-N 1 2 365.393 2.409 20 5 FEBDLO CN(C[C@H]1CCCC[C@H]1O)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000183382598 327814574 /nfs/dbraw/zinc/81/45/74/327814574.db2.gz DETVWCWYGMJECN-RHSMWYFYSA-N 1 2 358.398 2.404 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000184872924 327886563 /nfs/dbraw/zinc/88/65/63/327886563.db2.gz JCRRNVBXSFYTDB-CYBMUJFWSA-N 1 2 373.373 2.258 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000184872901 327886596 /nfs/dbraw/zinc/88/65/96/327886596.db2.gz JCRRNVBXSFYTDB-ZDUSSCGKSA-N 1 2 373.373 2.258 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000189797955 328168708 /nfs/dbraw/zinc/16/87/08/328168708.db2.gz SZJWGBBGOCJSIP-CYBMUJFWSA-N 1 2 367.427 2.386 20 5 FEBDLO CCc1nnc(C2CC[NH+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000190657154 328222664 /nfs/dbraw/zinc/22/26/64/328222664.db2.gz SRYYJCYVTUJHJQ-UHFFFAOYSA-N 1 2 372.429 2.118 20 5 FEBDLO CCc1n[nH]c(C2CC[NH+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000190657154 328222665 /nfs/dbraw/zinc/22/26/65/328222665.db2.gz SRYYJCYVTUJHJQ-UHFFFAOYSA-N 1 2 372.429 2.118 20 5 FEBDLO CCc1nc(C2CC[NH+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000190657154 328222666 /nfs/dbraw/zinc/22/26/66/328222666.db2.gz SRYYJCYVTUJHJQ-UHFFFAOYSA-N 1 2 372.429 2.118 20 5 FEBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1nnc2ccccn21 ZINC000192485513 328321823 /nfs/dbraw/zinc/32/18/23/328321823.db2.gz RLPXGJQZHWFSCX-NSHDSACASA-N 1 2 355.354 2.355 20 5 FEBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000192560935 328325969 /nfs/dbraw/zinc/32/59/69/328325969.db2.gz CVUUQFAXXXTMBF-UHFFFAOYSA-N 1 2 350.448 2.288 20 5 FEBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000192560935 328325971 /nfs/dbraw/zinc/32/59/71/328325971.db2.gz CVUUQFAXXXTMBF-UHFFFAOYSA-N 1 2 350.448 2.288 20 5 FEBDLO CSc1ccc(C(=O)NCC(C)(C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000017854166 324389665 /nfs/dbraw/zinc/38/96/65/324389665.db2.gz YHQYTKYYIHSSLT-UHFFFAOYSA-N 1 2 353.444 2.157 20 5 FEBDLO CC1CCC(NC(=O)CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000077382282 324989068 /nfs/dbraw/zinc/98/90/68/324989068.db2.gz HWLNXYCITBTBLE-UHFFFAOYSA-N 1 2 374.485 2.407 20 5 FEBDLO O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000078075651 325029736 /nfs/dbraw/zinc/02/97/36/325029736.db2.gz MXTXUHPUZVRNOZ-LJQANCHMSA-N 1 2 367.405 2.385 20 5 FEBDLO O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000078075651 325029740 /nfs/dbraw/zinc/02/97/40/325029740.db2.gz MXTXUHPUZVRNOZ-LJQANCHMSA-N 1 2 367.405 2.385 20 5 FEBDLO CC1(C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H]2CCO[C@@H]21 ZINC000078158165 325033837 /nfs/dbraw/zinc/03/38/37/325033837.db2.gz ICCYJNRTMNVZIB-WQVCFCJDSA-N 1 2 356.382 2.324 20 5 FEBDLO COc1ccccc1C[NH+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000102760610 325497610 /nfs/dbraw/zinc/49/76/10/325497610.db2.gz DMUMPBNGGOWDRB-UHFFFAOYSA-N 1 2 370.409 2.144 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)c1C ZINC000119324317 326149563 /nfs/dbraw/zinc/14/95/63/326149563.db2.gz YSILLKRHMZSJDR-CQSZACIVSA-N 1 2 367.427 2.386 20 5 FEBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000120722920 326282137 /nfs/dbraw/zinc/28/21/37/326282137.db2.gz NIXOVVQZPBOKJS-GFCCVEGCSA-N 1 2 373.369 2.331 20 5 FEBDLO Cc1nn(CCC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1[N+](=O)[O-] ZINC000126120728 326483562 /nfs/dbraw/zinc/48/35/62/326483562.db2.gz KWZQLTHQCJSIOJ-WFASDCNBSA-N 1 2 360.418 2.104 20 5 FEBDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000132609137 326595380 /nfs/dbraw/zinc/59/53/80/326595380.db2.gz HGBWLDLVOZMVJM-UHFFFAOYSA-N 1 2 373.384 2.496 20 5 FEBDLO O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000154538417 326762638 /nfs/dbraw/zinc/76/26/38/326762638.db2.gz INOQZXBVPYWUQC-CYBMUJFWSA-N 1 2 358.423 2.477 20 5 FEBDLO CSc1ccc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000170629386 327089778 /nfs/dbraw/zinc/08/97/78/327089778.db2.gz BOWXILRSMPGEBT-UHFFFAOYSA-N 1 2 353.444 2.157 20 5 FEBDLO CSc1ccc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000170629386 327089779 /nfs/dbraw/zinc/08/97/79/327089779.db2.gz BOWXILRSMPGEBT-UHFFFAOYSA-N 1 2 353.444 2.157 20 5 FEBDLO CCc1n[nH]c(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1[N+](=O)[O-] ZINC000171803923 327162439 /nfs/dbraw/zinc/16/24/39/327162439.db2.gz JMYMETMDGPBXSU-UHFFFAOYSA-N 1 2 358.402 2.196 20 5 FEBDLO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccncc1 ZINC000173798157 327285005 /nfs/dbraw/zinc/28/50/05/327285005.db2.gz JTXLUUZMTQQGON-UHFFFAOYSA-N 1 2 356.382 2.472 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000173979581 327299457 /nfs/dbraw/zinc/29/94/57/327299457.db2.gz OMENYBBMHGVPBB-LBPRGKRZSA-N 1 2 354.370 2.430 20 5 FEBDLO Cc1ccc(C(=O)N2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000178573116 327593184 /nfs/dbraw/zinc/59/31/84/327593184.db2.gz VBISGFYZRWYBCQ-LJQANCHMSA-N 1 2 369.421 2.395 20 5 FEBDLO C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1n1cc[nH+]c1 ZINC000247665309 328698390 /nfs/dbraw/zinc/69/83/90/328698390.db2.gz QJEKCRPJFLYQEK-SMDDNHRTSA-N 1 2 368.390 2.202 20 5 FEBDLO Cn1cc[nH+]c1CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000264300274 329008452 /nfs/dbraw/zinc/00/84/52/329008452.db2.gz LVWGVIOHGHAVKZ-UHFFFAOYSA-N 1 2 364.305 2.234 20 5 FEBDLO CCC[C@@](C)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(=O)OC ZINC000264618974 329041492 /nfs/dbraw/zinc/04/14/92/329041492.db2.gz MURQRUCBUBIZJG-QGZVFWFLSA-N 1 2 367.402 2.253 20 5 FEBDLO C[C@@H](c1cccnc1)[NH+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000265526975 329135867 /nfs/dbraw/zinc/13/58/67/329135867.db2.gz ULFVIRTWZHALIY-HNNXBMFYSA-N 1 2 369.425 2.307 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000265891852 329170123 /nfs/dbraw/zinc/17/01/23/329170123.db2.gz YYYBPSFLZQPKPT-GOSISDBHSA-N 1 2 372.377 2.410 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000265891852 329170125 /nfs/dbraw/zinc/17/01/25/329170125.db2.gz YYYBPSFLZQPKPT-GOSISDBHSA-N 1 2 372.377 2.410 20 5 FEBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000266299119 329209114 /nfs/dbraw/zinc/20/91/14/329209114.db2.gz DLGVCSGTZQJTID-OAHLLOKOSA-N 1 2 359.382 2.278 20 5 FEBDLO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000266393141 329218639 /nfs/dbraw/zinc/21/86/39/329218639.db2.gz WGQJNLAEHNBBIH-AWEZNQCLSA-N 1 2 358.398 2.013 20 5 FEBDLO CN(c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000267054974 329287168 /nfs/dbraw/zinc/28/71/68/329287168.db2.gz FTMFRUMDUACRSS-JTQLQIEISA-N 1 2 363.386 2.122 20 5 FEBDLO CN(c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000267054974 329287170 /nfs/dbraw/zinc/28/71/70/329287170.db2.gz FTMFRUMDUACRSS-JTQLQIEISA-N 1 2 363.386 2.122 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000268084004 329383454 /nfs/dbraw/zinc/38/34/54/329383454.db2.gz WLXFFDMKAVCEEK-LBPRGKRZSA-N 1 2 350.400 2.195 20 5 FEBDLO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000269219902 329497467 /nfs/dbraw/zinc/49/74/67/329497467.db2.gz ZZEKTUFQNSCVHV-NFAWXSAZSA-N 1 2 363.414 2.014 20 5 FEBDLO Cc1cc(N(CCO)C2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000275418065 330046427 /nfs/dbraw/zinc/04/64/27/330046427.db2.gz CRQZVAVCLQKYKL-UHFFFAOYSA-N 1 2 358.398 2.338 20 5 FEBDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000477284651 561141208 /nfs/dbraw/zinc/14/12/08/561141208.db2.gz VUKQPOPMITXKCZ-HOCLYGCPSA-N 1 2 366.414 2.141 20 5 FEBDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000477284651 561141209 /nfs/dbraw/zinc/14/12/09/561141209.db2.gz VUKQPOPMITXKCZ-HOCLYGCPSA-N 1 2 366.414 2.141 20 5 FEBDLO CCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H]1c1[nH]cc[nH+]1 ZINC000478903732 561177809 /nfs/dbraw/zinc/17/78/09/561177809.db2.gz UUAAZLUNCIYAMJ-CQSZACIVSA-N 1 2 362.365 2.368 20 5 FEBDLO CCC(=O)c1ccc(Nc2ccc(N3CCNC(=O)C3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000479938738 561199794 /nfs/dbraw/zinc/19/97/94/561199794.db2.gz HRDXEZNJLQXQLC-UHFFFAOYSA-N 1 2 369.381 2.262 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000176216168 546420481 /nfs/dbraw/zinc/42/04/81/546420481.db2.gz NTJIAWKSDLIDAO-UHFFFAOYSA-N 1 2 350.419 2.444 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000176216168 546420484 /nfs/dbraw/zinc/42/04/84/546420484.db2.gz NTJIAWKSDLIDAO-UHFFFAOYSA-N 1 2 350.419 2.444 20 5 FEBDLO CCN1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H]1c1[nH]cc[nH+]1 ZINC000480716583 561215026 /nfs/dbraw/zinc/21/50/26/561215026.db2.gz YBZBBGMOQJKPRG-AWEZNQCLSA-N 1 2 353.386 2.144 20 5 FEBDLO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000481506280 561234485 /nfs/dbraw/zinc/23/44/85/561234485.db2.gz OGGFTCZIUPLRTA-UHFFFAOYSA-N 1 2 367.369 2.025 20 5 FEBDLO CC(=O)NC[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000179712378 547002299 /nfs/dbraw/zinc/00/22/99/547002299.db2.gz GWLQGGZQTLUXMI-HNNXBMFYSA-N 1 2 359.382 2.192 20 5 FEBDLO CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000179712378 547002301 /nfs/dbraw/zinc/00/23/01/547002301.db2.gz GWLQGGZQTLUXMI-HNNXBMFYSA-N 1 2 359.382 2.192 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]c(CN3CC[NH+](Cc4cccc(O)c4)CC3)nc2c1 ZINC000482681610 561258399 /nfs/dbraw/zinc/25/83/99/561258399.db2.gz HWYMCFLZSOARON-UHFFFAOYSA-N 1 2 367.409 2.495 20 5 FEBDLO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nnc2ccccn21 ZINC000182718911 547540569 /nfs/dbraw/zinc/54/05/69/547540569.db2.gz AGGMYUWRNUVODJ-SWLSCSKDSA-N 1 2 366.381 2.094 20 5 FEBDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(=O)n(C)c1 ZINC000484835182 561306699 /nfs/dbraw/zinc/30/66/99/561306699.db2.gz IOYFPJNOXIILOI-UHFFFAOYSA-N 1 2 353.338 2.040 20 5 FEBDLO CCNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000484895712 561308055 /nfs/dbraw/zinc/30/80/55/561308055.db2.gz UPUCLFVELYSUNZ-UHFFFAOYSA-N 1 2 364.446 2.030 20 5 FEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000184792039 547879548 /nfs/dbraw/zinc/87/95/48/547879548.db2.gz CYUODRJADAJTAM-YJBOKZPZSA-N 1 2 361.442 2.143 20 5 FEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000184792039 547879553 /nfs/dbraw/zinc/87/95/53/547879553.db2.gz CYUODRJADAJTAM-YJBOKZPZSA-N 1 2 361.442 2.143 20 5 FEBDLO C[C@@H](C(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000185182705 547947846 /nfs/dbraw/zinc/94/78/46/547947846.db2.gz BPJJAEUCBVSWRC-GFCCVEGCSA-N 1 2 353.394 2.064 20 5 FEBDLO C[C@@H](C(=O)NCC[N@H+]1CCOCC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000185182705 547947850 /nfs/dbraw/zinc/94/78/50/547947850.db2.gz BPJJAEUCBVSWRC-GFCCVEGCSA-N 1 2 353.394 2.064 20 5 FEBDLO C[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000185339990 547972888 /nfs/dbraw/zinc/97/28/88/547972888.db2.gz VQDAVJGRPVWFLZ-HIFRSBDPSA-N 1 2 365.405 2.161 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(C)c3[nH+]cccc32)c1C ZINC000487082624 561363241 /nfs/dbraw/zinc/36/32/41/561363241.db2.gz HQDYMPZFZOGVRI-UHFFFAOYSA-N 1 2 362.411 2.252 20 5 FEBDLO CC(C)CN1C[C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000488741859 561395702 /nfs/dbraw/zinc/39/57/02/561395702.db2.gz CPFIDKWROFNMRB-INIZCTEOSA-N 1 2 362.430 2.051 20 5 FEBDLO CC(C)CN1C[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000488741859 561395703 /nfs/dbraw/zinc/39/57/03/561395703.db2.gz CPFIDKWROFNMRB-INIZCTEOSA-N 1 2 362.430 2.051 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000246794732 549214516 /nfs/dbraw/zinc/21/45/16/549214516.db2.gz MTJVQZQFFLHOCR-WCQYABFASA-N 1 2 371.821 2.049 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](OCCO)C1 ZINC000246794732 549214520 /nfs/dbraw/zinc/21/45/20/549214520.db2.gz MTJVQZQFFLHOCR-WCQYABFASA-N 1 2 371.821 2.049 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247644976 549367752 /nfs/dbraw/zinc/36/77/52/549367752.db2.gz OSRRHKLKQLVYCI-DOMZBBRYSA-N 1 2 364.427 2.372 20 5 FEBDLO COCCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000255632903 549707191 /nfs/dbraw/zinc/70/71/91/549707191.db2.gz JYJPMOPLOLCSHN-OUOZUETKSA-N 1 2 368.455 2.134 20 5 FEBDLO COCCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000255632903 549707196 /nfs/dbraw/zinc/70/71/96/549707196.db2.gz JYJPMOPLOLCSHN-OUOZUETKSA-N 1 2 368.455 2.134 20 5 FEBDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000268459713 550069942 /nfs/dbraw/zinc/06/99/42/550069942.db2.gz KMJOHAATGZQNMC-DGCLKSJQSA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000268459713 550069944 /nfs/dbraw/zinc/06/99/44/550069944.db2.gz KMJOHAATGZQNMC-DGCLKSJQSA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000268459713 550069946 /nfs/dbraw/zinc/06/99/46/550069946.db2.gz KMJOHAATGZQNMC-DGCLKSJQSA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000268459713 550069947 /nfs/dbraw/zinc/06/99/47/550069947.db2.gz KMJOHAATGZQNMC-DGCLKSJQSA-N 1 2 358.402 2.228 20 5 FEBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000492652533 561452168 /nfs/dbraw/zinc/45/21/68/561452168.db2.gz CFDNTMJCRHGRDV-ONGXEEELSA-N 1 2 364.789 2.412 20 5 FEBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000492652533 561452169 /nfs/dbraw/zinc/45/21/69/561452169.db2.gz CFDNTMJCRHGRDV-ONGXEEELSA-N 1 2 364.789 2.412 20 5 FEBDLO CC(C)c1n[nH]c(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1[N+](=O)[O-] ZINC000269473280 550199556 /nfs/dbraw/zinc/19/95/56/550199556.db2.gz UYZAFWIYINSJMX-UHFFFAOYSA-N 1 2 360.418 2.497 20 5 FEBDLO CC(C)c1[nH]nc(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1[N+](=O)[O-] ZINC000269473280 550199559 /nfs/dbraw/zinc/19/95/59/550199559.db2.gz UYZAFWIYINSJMX-UHFFFAOYSA-N 1 2 360.418 2.497 20 5 FEBDLO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269950162 550238425 /nfs/dbraw/zinc/23/84/25/550238425.db2.gz MYCRMYFMNCFKTM-HNNXBMFYSA-N 1 2 355.398 2.110 20 5 FEBDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000270050952 550245658 /nfs/dbraw/zinc/24/56/58/550245658.db2.gz LZRMCIWSUQZDPY-LBPRGKRZSA-N 1 2 353.386 2.294 20 5 FEBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000271017114 550332530 /nfs/dbraw/zinc/33/25/30/550332530.db2.gz NBNGRKAMHXDIPF-LBPRGKRZSA-N 1 2 364.427 2.348 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCN(C)c3[nH+]cccc32)cc([N+](=O)[O-])c1F ZINC000271424533 550374470 /nfs/dbraw/zinc/37/44/70/550374470.db2.gz LYPIUCGMPXRXSQ-UHFFFAOYSA-N 1 2 366.374 2.082 20 5 FEBDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272473003 550451591 /nfs/dbraw/zinc/45/15/91/550451591.db2.gz AUDWBJFUHJNHEX-PBHICJAKSA-N 1 2 371.441 2.407 20 5 FEBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cc4c(c([N+](=O)[O-])c3)OCO4)n2)C1 ZINC000272592051 550459540 /nfs/dbraw/zinc/45/95/40/550459540.db2.gz GASLAQNXVVFLIL-ZDUSSCGKSA-N 1 2 362.342 2.155 20 5 FEBDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cc4c(c([N+](=O)[O-])c3)OCO4)n2)C1 ZINC000272592051 550459542 /nfs/dbraw/zinc/45/95/42/550459542.db2.gz GASLAQNXVVFLIL-ZDUSSCGKSA-N 1 2 362.342 2.155 20 5 FEBDLO CC(C)CNC(=O)Cc1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000277790800 550714537 /nfs/dbraw/zinc/71/45/37/550714537.db2.gz AUGPGAQMRAGOAK-UHFFFAOYSA-N 1 2 370.369 2.145 20 5 FEBDLO CCc1[nH+]c2ccccc2n1Cc1noc(-c2nn(C)cc2[N+](=O)[O-])n1 ZINC000277857981 550722196 /nfs/dbraw/zinc/72/21/96/550722196.db2.gz JRFBCNIUWWQTBX-UHFFFAOYSA-N 1 2 353.342 2.339 20 5 FEBDLO CCN1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1=O ZINC000495207096 561484426 /nfs/dbraw/zinc/48/44/26/561484426.db2.gz XJSOQMOUWMTJOJ-ZDUSSCGKSA-N 1 2 358.398 2.345 20 5 FEBDLO CCN1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1=O ZINC000495207096 561484427 /nfs/dbraw/zinc/48/44/27/561484427.db2.gz XJSOQMOUWMTJOJ-ZDUSSCGKSA-N 1 2 358.398 2.345 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279703738 550918763 /nfs/dbraw/zinc/91/87/63/550918763.db2.gz HETYZJVNFNLEKS-KGLIPLIRSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279703738 550918764 /nfs/dbraw/zinc/91/87/64/550918764.db2.gz HETYZJVNFNLEKS-KGLIPLIRSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000279703792 550918986 /nfs/dbraw/zinc/91/89/86/550918986.db2.gz HGIPSSRQOXNCOC-UHQDVWGKSA-N 1 2 363.414 2.190 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000279703792 550918988 /nfs/dbraw/zinc/91/89/88/550918988.db2.gz HGIPSSRQOXNCOC-UHQDVWGKSA-N 1 2 363.414 2.190 20 5 FEBDLO C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@]2(CCOC2)O1 ZINC000280242455 550974043 /nfs/dbraw/zinc/97/40/43/550974043.db2.gz BAELDEOYBHLXFV-SJCJKPOMSA-N 1 2 360.370 2.025 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@]2(CCOC2)O1 ZINC000280242455 550974044 /nfs/dbraw/zinc/97/40/44/550974044.db2.gz BAELDEOYBHLXFV-SJCJKPOMSA-N 1 2 360.370 2.025 20 5 FEBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c([N+](=O)[O-])cc1OC ZINC000280617809 551014099 /nfs/dbraw/zinc/01/40/99/551014099.db2.gz ZLTPCYGLQMVHGZ-LXIYXOSZSA-N 1 2 366.414 2.380 20 5 FEBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c([N+](=O)[O-])cc1OC ZINC000280617809 551014100 /nfs/dbraw/zinc/01/41/00/551014100.db2.gz ZLTPCYGLQMVHGZ-LXIYXOSZSA-N 1 2 366.414 2.380 20 5 FEBDLO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cccc(O)c1[N+](=O)[O-] ZINC000280698904 551022904 /nfs/dbraw/zinc/02/29/04/551022904.db2.gz FDXOLVQZIDEILE-UHFFFAOYSA-N 1 2 355.394 2.479 20 5 FEBDLO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cccc(O)c1[N+](=O)[O-] ZINC000280698904 551022906 /nfs/dbraw/zinc/02/29/06/551022906.db2.gz FDXOLVQZIDEILE-UHFFFAOYSA-N 1 2 355.394 2.479 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000280982087 551051605 /nfs/dbraw/zinc/05/16/05/551051605.db2.gz PNPOECRFYDXPPS-AWEZNQCLSA-N 1 2 370.409 2.107 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2Cc2cc([N+](=O)[O-])ccc2OC)O1 ZINC000282452440 551230949 /nfs/dbraw/zinc/23/09/49/551230949.db2.gz LYHSPKCRLRUDSU-ISGYEWALSA-N 1 2 364.398 2.287 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2Cc2cc([N+](=O)[O-])ccc2OC)O1 ZINC000282452440 551230950 /nfs/dbraw/zinc/23/09/50/551230950.db2.gz LYHSPKCRLRUDSU-ISGYEWALSA-N 1 2 364.398 2.287 20 5 FEBDLO CCc1n[nH]c(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000282788762 551270706 /nfs/dbraw/zinc/27/07/06/551270706.db2.gz MYYWNWXREXRXFZ-GFCCVEGCSA-N 1 2 372.429 2.433 20 5 FEBDLO CCc1[nH]nc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000282788762 551270707 /nfs/dbraw/zinc/27/07/07/551270707.db2.gz MYYWNWXREXRXFZ-GFCCVEGCSA-N 1 2 372.429 2.433 20 5 FEBDLO CS(=O)(=O)NCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000285345886 551741316 /nfs/dbraw/zinc/74/13/16/551741316.db2.gz DFPLUDSGBHVZFB-UHFFFAOYSA-N 1 2 361.851 2.009 20 5 FEBDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285592783 551780050 /nfs/dbraw/zinc/78/00/50/551780050.db2.gz LORUIJNJCGWHRV-ZDUSSCGKSA-N 1 2 364.402 2.134 20 5 FEBDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285592783 551780051 /nfs/dbraw/zinc/78/00/51/551780051.db2.gz LORUIJNJCGWHRV-ZDUSSCGKSA-N 1 2 364.402 2.134 20 5 FEBDLO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)[S@]1=O ZINC000286074342 551845912 /nfs/dbraw/zinc/84/59/12/551845912.db2.gz RZMNFZBFNCZPNA-IPKGXFCISA-N 1 2 353.444 2.155 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)[S@]1=O ZINC000286074342 551845913 /nfs/dbraw/zinc/84/59/13/551845913.db2.gz RZMNFZBFNCZPNA-IPKGXFCISA-N 1 2 353.444 2.155 20 5 FEBDLO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H](C)[S@@]1=O ZINC000286074626 551845944 /nfs/dbraw/zinc/84/59/44/551845944.db2.gz SBECFCUPTACZKW-GAYUNNFGSA-N 1 2 371.434 2.294 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H](C)[S@@]1=O ZINC000286074626 551845945 /nfs/dbraw/zinc/84/59/45/551845945.db2.gz SBECFCUPTACZKW-GAYUNNFGSA-N 1 2 371.434 2.294 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000287356003 551993682 /nfs/dbraw/zinc/99/36/82/551993682.db2.gz NOCZXTKHBFOQMF-ZIAGYGMSSA-N 1 2 370.409 2.078 20 5 FEBDLO Nc1ccc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000287755611 552042649 /nfs/dbraw/zinc/04/26/49/552042649.db2.gz MWZJMAGVQOBTPI-MOPGFXCFSA-N 1 2 354.410 2.267 20 5 FEBDLO Nc1ccc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000287755611 552042651 /nfs/dbraw/zinc/04/26/51/552042651.db2.gz MWZJMAGVQOBTPI-MOPGFXCFSA-N 1 2 354.410 2.267 20 5 FEBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000289548887 552338810 /nfs/dbraw/zinc/33/88/10/552338810.db2.gz DCUBYJISRMAQKC-GFCCVEGCSA-N 1 2 362.167 2.156 20 5 FEBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000289548887 552338812 /nfs/dbraw/zinc/33/88/12/552338812.db2.gz DCUBYJISRMAQKC-GFCCVEGCSA-N 1 2 362.167 2.156 20 5 FEBDLO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCn2c[nH+]cc2C1 ZINC000289979366 552409211 /nfs/dbraw/zinc/40/92/11/552409211.db2.gz WQEUEOIAVHBIKU-UHFFFAOYSA-N 1 2 353.285 2.440 20 5 FEBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(N[C@@H](C)Cn2ccnc2)n1 ZINC000290532944 552494101 /nfs/dbraw/zinc/49/41/01/552494101.db2.gz OIXKSBHHHQROQP-KBPBESRZSA-N 1 2 370.417 2.384 20 5 FEBDLO C[C@@H](Cn1ccnc1)Nc1ccc([N+](=O)[O-])c(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000290532944 552494102 /nfs/dbraw/zinc/49/41/02/552494102.db2.gz OIXKSBHHHQROQP-KBPBESRZSA-N 1 2 370.417 2.384 20 5 FEBDLO O=C(C1CC[NH+](CC(F)F)CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000500925111 561585868 /nfs/dbraw/zinc/58/58/68/561585868.db2.gz NPDKTTQGQJJBDK-UHFFFAOYSA-N 1 2 353.369 2.457 20 5 FEBDLO Cc1cnn([C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C2)c1 ZINC000291315987 552613899 /nfs/dbraw/zinc/61/38/99/552613899.db2.gz QYUPSBYPSGSWIE-OAHLLOKOSA-N 1 2 366.381 2.373 20 5 FEBDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000294733212 552930282 /nfs/dbraw/zinc/93/02/82/552930282.db2.gz GLPONGBPMFQWDR-ZDUSSCGKSA-N 1 2 352.347 2.166 20 5 FEBDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000294733212 552930284 /nfs/dbraw/zinc/93/02/84/552930284.db2.gz GLPONGBPMFQWDR-ZDUSSCGKSA-N 1 2 352.347 2.166 20 5 FEBDLO Cc1cc(Cl)c(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000295254517 552976625 /nfs/dbraw/zinc/97/66/25/552976625.db2.gz KSXFJBFCXCHLFT-CHWSQXEVSA-N 1 2 367.833 2.492 20 5 FEBDLO COc1cc(C)[nH+]c(Cn2cc(Br)cc([N+](=O)[O-])c2=O)c1 ZINC000502135544 561612682 /nfs/dbraw/zinc/61/26/82/561612682.db2.gz LIGXHYGDQWIGGJ-UHFFFAOYSA-N 1 2 354.160 2.279 20 5 FEBDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1(C)C ZINC000295890342 553072338 /nfs/dbraw/zinc/07/23/38/553072338.db2.gz GNKJDNXWENAEKK-OAHLLOKOSA-N 1 2 365.386 2.009 20 5 FEBDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1(C)C ZINC000295890342 553072340 /nfs/dbraw/zinc/07/23/40/553072340.db2.gz GNKJDNXWENAEKK-OAHLLOKOSA-N 1 2 365.386 2.009 20 5 FEBDLO CN(CC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)c1ccccc1[N+](=O)[O-] ZINC000295941577 553078555 /nfs/dbraw/zinc/07/85/55/553078555.db2.gz QDXYDKZHHYYHLY-MRXNPFEDSA-N 1 2 357.414 2.374 20 5 FEBDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)o1 ZINC000296068055 553099466 /nfs/dbraw/zinc/09/94/66/553099466.db2.gz QYXWZFDGHVEJJV-UHFFFAOYSA-N 1 2 360.370 2.082 20 5 FEBDLO COC(=O)Cc1ccc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000296574515 553181803 /nfs/dbraw/zinc/18/18/03/553181803.db2.gz QRLNYNHFDSNOED-UHFFFAOYSA-N 1 2 356.382 2.032 20 5 FEBDLO CCOc1cc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000502812112 561626361 /nfs/dbraw/zinc/62/63/61/561626361.db2.gz ZEBHQLNLRSNQSJ-AWEZNQCLSA-N 1 2 356.444 2.393 20 5 FEBDLO CCOc1cc(C[N@H+]2CCC[C@H](S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000502812112 561626362 /nfs/dbraw/zinc/62/63/62/561626362.db2.gz ZEBHQLNLRSNQSJ-AWEZNQCLSA-N 1 2 356.444 2.393 20 5 FEBDLO CCC[C@](C)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(=O)OC ZINC000299208176 553530799 /nfs/dbraw/zinc/53/07/99/553530799.db2.gz HDXCGMXIUOEYRS-KRWDZBQOSA-N 1 2 367.402 2.253 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000299532973 553577020 /nfs/dbraw/zinc/57/70/20/553577020.db2.gz NOIKURJHKIXTFN-UHFFFAOYSA-N 1 2 350.400 2.126 20 5 FEBDLO C[C@H](Nc1ncc(Br)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000301668398 553669850 /nfs/dbraw/zinc/66/98/50/553669850.db2.gz DFAMPVPHOMASED-UWVGGRQHSA-N 1 2 359.224 2.273 20 5 FEBDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000505205934 561667944 /nfs/dbraw/zinc/66/79/44/561667944.db2.gz XTOCQEHQWARRFL-OAHLLOKOSA-N 1 2 355.822 2.365 20 5 FEBDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000505205934 561667945 /nfs/dbraw/zinc/66/79/45/561667945.db2.gz XTOCQEHQWARRFL-OAHLLOKOSA-N 1 2 355.822 2.365 20 5 FEBDLO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000505551381 561673855 /nfs/dbraw/zinc/67/38/55/561673855.db2.gz RZKYRSVBYVQWJV-KRWDZBQOSA-N 1 2 351.366 2.258 20 5 FEBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000505617117 561675483 /nfs/dbraw/zinc/67/54/83/561675483.db2.gz YQUGFHQPUYEOEX-UHFFFAOYSA-N 1 2 352.350 2.475 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2cnc(N(C)C)nc2)cccc1[N+](=O)[O-] ZINC000506032871 561687790 /nfs/dbraw/zinc/68/77/90/561687790.db2.gz SPMJWKYCTMTWJD-ZDUSSCGKSA-N 1 2 372.429 2.218 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2cnc(N(C)C)nc2)cccc1[N+](=O)[O-] ZINC000506032871 561687791 /nfs/dbraw/zinc/68/77/91/561687791.db2.gz SPMJWKYCTMTWJD-ZDUSSCGKSA-N 1 2 372.429 2.218 20 5 FEBDLO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000330740721 554165134 /nfs/dbraw/zinc/16/51/34/554165134.db2.gz AWPJXAIITMMUBY-GFCCVEGCSA-N 1 2 359.423 2.277 20 5 FEBDLO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000330740721 554165138 /nfs/dbraw/zinc/16/51/38/554165138.db2.gz AWPJXAIITMMUBY-GFCCVEGCSA-N 1 2 359.423 2.277 20 5 FEBDLO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC[NH+](CC(F)F)CC1 ZINC000509105984 561784989 /nfs/dbraw/zinc/78/49/89/561784989.db2.gz HPAYUZPLOBRYNZ-UHFFFAOYSA-N 1 2 367.356 2.064 20 5 FEBDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000331645894 554300845 /nfs/dbraw/zinc/30/08/45/554300845.db2.gz VKKDQFYWFWPEEL-FDQGKXFDSA-N 1 2 363.414 2.192 20 5 FEBDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000331645894 554300850 /nfs/dbraw/zinc/30/08/50/554300850.db2.gz VKKDQFYWFWPEEL-FDQGKXFDSA-N 1 2 363.414 2.192 20 5 FEBDLO Cc1c(F)cc(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000331819789 554324793 /nfs/dbraw/zinc/32/47/93/554324793.db2.gz LYEDVQSAPLAVPD-GFCCVEGCSA-N 1 2 354.363 2.291 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)c1C ZINC000510374842 561833012 /nfs/dbraw/zinc/83/30/12/561833012.db2.gz IPORFPIVJYWQKL-OAHLLOKOSA-N 1 2 364.427 2.375 20 5 FEBDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000510468367 561835554 /nfs/dbraw/zinc/83/55/54/561835554.db2.gz AXFNAMWJCKVNGS-UHFFFAOYSA-N 1 2 361.423 2.100 20 5 FEBDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000510468367 561835555 /nfs/dbraw/zinc/83/55/55/561835555.db2.gz AXFNAMWJCKVNGS-UHFFFAOYSA-N 1 2 361.423 2.100 20 5 FEBDLO COC(=O)c1ccccc1NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511106622 561857146 /nfs/dbraw/zinc/85/71/46/561857146.db2.gz LXTDVSTUDSWZOT-UHFFFAOYSA-N 1 2 371.393 2.494 20 5 FEBDLO COC(=O)c1ccccc1NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511106622 561857147 /nfs/dbraw/zinc/85/71/47/561857147.db2.gz LXTDVSTUDSWZOT-UHFFFAOYSA-N 1 2 371.393 2.494 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000511230813 561862058 /nfs/dbraw/zinc/86/20/58/561862058.db2.gz CVXTYWLNPVCULK-AWEZNQCLSA-N 1 2 364.427 2.375 20 5 FEBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(Cc3ccc(F)cc3[N+](=O)[O-])n2)C1 ZINC000351409436 554854285 /nfs/dbraw/zinc/85/42/85/554854285.db2.gz RUVGVCNWUZSNDH-AWEZNQCLSA-N 1 2 350.350 2.489 20 5 FEBDLO CC(C)[N@H+]1CCO[C@H](c2noc(Cc3ccc(F)cc3[N+](=O)[O-])n2)C1 ZINC000351409436 554854286 /nfs/dbraw/zinc/85/42/86/554854286.db2.gz RUVGVCNWUZSNDH-AWEZNQCLSA-N 1 2 350.350 2.489 20 5 FEBDLO CCc1nn(C)c(NC2CC[NH+](Cc3cscn3)CC2)c1[N+](=O)[O-] ZINC000362008094 554943515 /nfs/dbraw/zinc/94/35/15/554943515.db2.gz ATNISTYKWGQRCB-UHFFFAOYSA-N 1 2 350.448 2.424 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511588125 561873593 /nfs/dbraw/zinc/87/35/93/561873593.db2.gz ZDIQUPLXATXBFR-AWEZNQCLSA-N 1 2 369.219 2.088 20 5 FEBDLO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000363198196 555051542 /nfs/dbraw/zinc/05/15/42/555051542.db2.gz BAKXWTSUQXAZPI-YUELXQCFSA-N 1 2 371.397 2.263 20 5 FEBDLO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000363198196 555051544 /nfs/dbraw/zinc/05/15/44/555051544.db2.gz BAKXWTSUQXAZPI-YUELXQCFSA-N 1 2 371.397 2.263 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363356360 555084778 /nfs/dbraw/zinc/08/47/78/555084778.db2.gz LZSJTZWTJMQODR-UHFFFAOYSA-N 1 2 361.358 2.280 20 5 FEBDLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1csc([N+](=O)[O-])c1 ZINC000363403558 555096878 /nfs/dbraw/zinc/09/68/78/555096878.db2.gz CKYUWUWQDWKGRS-HNNXBMFYSA-N 1 2 361.423 2.287 20 5 FEBDLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1csc([N+](=O)[O-])c1 ZINC000363403558 555096880 /nfs/dbraw/zinc/09/68/80/555096880.db2.gz CKYUWUWQDWKGRS-HNNXBMFYSA-N 1 2 361.423 2.287 20 5 FEBDLO CCOC(=O)c1cc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc([N+](=O)[O-])c1 ZINC000363432886 555104098 /nfs/dbraw/zinc/10/40/98/555104098.db2.gz QPZZXZUTOQCQHB-LBPRGKRZSA-N 1 2 372.381 2.135 20 5 FEBDLO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000363467200 555112799 /nfs/dbraw/zinc/11/27/99/555112799.db2.gz INRHLXRJHRUWDA-IRXDYDNUSA-N 1 2 374.441 2.399 20 5 FEBDLO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000363467200 555112803 /nfs/dbraw/zinc/11/28/03/555112803.db2.gz INRHLXRJHRUWDA-IRXDYDNUSA-N 1 2 374.441 2.399 20 5 FEBDLO COc1cc[nH+]cc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000364456374 555317523 /nfs/dbraw/zinc/31/75/23/555317523.db2.gz BCWCDLSSVAFQEV-JTQLQIEISA-N 1 2 374.328 2.129 20 5 FEBDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000364544905 555333814 /nfs/dbraw/zinc/33/38/14/555333814.db2.gz VPRHVPIMYUIKGL-UHFFFAOYSA-N 1 2 364.427 2.089 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512824200 561916842 /nfs/dbraw/zinc/91/68/42/561916842.db2.gz PEQCHKKAQJQQSE-GHMZBOCLSA-N 1 2 373.356 2.492 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000512824200 561916843 /nfs/dbraw/zinc/91/68/43/561916843.db2.gz PEQCHKKAQJQQSE-GHMZBOCLSA-N 1 2 373.356 2.492 20 5 FEBDLO CCc1n[nH]c(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)c1[N+](=O)[O-] ZINC000365553320 555606941 /nfs/dbraw/zinc/60/69/41/555606941.db2.gz XJDXPVKGRHUQBB-ZDUSSCGKSA-N 1 2 372.360 2.272 20 5 FEBDLO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCn2c[nH+]cc2C1 ZINC000365807134 555671642 /nfs/dbraw/zinc/67/16/42/555671642.db2.gz VNMJRINUHMHLEJ-UHFFFAOYSA-N 1 2 351.160 2.210 20 5 FEBDLO O=C(NCC1([NH+]2CCOCC2)CCCC1)c1cc([N+](=O)[O-])cc(F)c1F ZINC000366260532 555795503 /nfs/dbraw/zinc/79/55/03/555795503.db2.gz RUEWTAXEPSVXIH-UHFFFAOYSA-N 1 2 369.368 2.248 20 5 FEBDLO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000366332222 555814072 /nfs/dbraw/zinc/81/40/72/555814072.db2.gz URAPGZZEBUUYRI-CJNGLKHVSA-N 1 2 362.430 2.127 20 5 FEBDLO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000366332222 555814073 /nfs/dbraw/zinc/81/40/73/555814073.db2.gz URAPGZZEBUUYRI-CJNGLKHVSA-N 1 2 362.430 2.127 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)n1 ZINC000513995005 561957521 /nfs/dbraw/zinc/95/75/21/561957521.db2.gz RZZGLSMAOGBOSE-ZDUSSCGKSA-N 1 2 363.805 2.251 20 5 FEBDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000366470214 555853443 /nfs/dbraw/zinc/85/34/43/555853443.db2.gz IHHMLAMLYBYUHY-LBPRGKRZSA-N 1 2 354.794 2.233 20 5 FEBDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000366470214 555853445 /nfs/dbraw/zinc/85/34/45/555853445.db2.gz IHHMLAMLYBYUHY-LBPRGKRZSA-N 1 2 354.794 2.233 20 5 FEBDLO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000366710781 555915242 /nfs/dbraw/zinc/91/52/42/555915242.db2.gz OZYRNAOONZDOAB-IRXDYDNUSA-N 1 2 370.409 2.435 20 5 FEBDLO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000366710781 555915243 /nfs/dbraw/zinc/91/52/43/555915243.db2.gz OZYRNAOONZDOAB-IRXDYDNUSA-N 1 2 370.409 2.435 20 5 FEBDLO Cc1cc(OCC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000366764942 555928667 /nfs/dbraw/zinc/92/86/67/555928667.db2.gz CWTDQJOYYSKQMF-AWEZNQCLSA-N 1 2 358.398 2.422 20 5 FEBDLO Cc1nn(C)c(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000366911443 555966887 /nfs/dbraw/zinc/96/68/87/555966887.db2.gz MAMFVJRMCSXOHQ-CYBMUJFWSA-N 1 2 363.805 2.077 20 5 FEBDLO O=[N+]([O-])c1cc2c(ncnc2N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)s1 ZINC000367442130 556049964 /nfs/dbraw/zinc/04/99/64/556049964.db2.gz DQNUBEXXPMAVKR-LBPRGKRZSA-N 1 2 360.399 2.273 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368431803 556307093 /nfs/dbraw/zinc/30/70/93/556307093.db2.gz GTUYCTQMGKLGMD-INIZCTEOSA-N 1 2 366.381 2.491 20 5 FEBDLO O=C1[C@H]([N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1C1CCOCC1 ZINC000368460078 556315829 /nfs/dbraw/zinc/31/58/29/556315829.db2.gz YZFLWTSPFPPOJM-GOSISDBHSA-N 1 2 359.426 2.339 20 5 FEBDLO O=C1[C@H]([N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1C1CCOCC1 ZINC000368460078 556315831 /nfs/dbraw/zinc/31/58/31/556315831.db2.gz YZFLWTSPFPPOJM-GOSISDBHSA-N 1 2 359.426 2.339 20 5 FEBDLO CCCC(=O)N1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000368771926 556409743 /nfs/dbraw/zinc/40/97/43/556409743.db2.gz GDHDGZHJFHFEMC-CQSZACIVSA-N 1 2 362.430 2.256 20 5 FEBDLO CCCC(=O)N1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000368771926 556409744 /nfs/dbraw/zinc/40/97/44/556409744.db2.gz GDHDGZHJFHFEMC-CQSZACIVSA-N 1 2 362.430 2.256 20 5 FEBDLO CC(C)c1nc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)nc(N(C)C)[nH+]1 ZINC000369640438 556655632 /nfs/dbraw/zinc/65/56/32/556655632.db2.gz RYCQLFAHAAKAAL-UHFFFAOYSA-N 1 2 360.422 2.007 20 5 FEBDLO CC(C)c1nc(N(C)C)nc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)[nH+]1 ZINC000369640438 556655634 /nfs/dbraw/zinc/65/56/34/556655634.db2.gz RYCQLFAHAAKAAL-UHFFFAOYSA-N 1 2 360.422 2.007 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(Oc3cnccn3)CC2)c([N+](=O)[O-])c1 ZINC000369671722 556664820 /nfs/dbraw/zinc/66/48/20/556664820.db2.gz VTMYQRKMSZJJQK-UHFFFAOYSA-N 1 2 359.342 2.336 20 5 FEBDLO CC(=O)c1cccc(NC(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000369693539 556670450 /nfs/dbraw/zinc/67/04/50/556670450.db2.gz TXBIJRFTHNZVCN-UHFFFAOYSA-N 1 2 371.397 2.270 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000370036788 556763697 /nfs/dbraw/zinc/76/36/97/556763697.db2.gz KWFIPFQTKMMZAG-UHFFFAOYSA-N 1 2 369.425 2.130 20 5 FEBDLO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc([N+](=O)[O-])cc(F)c1F ZINC000370549713 556906112 /nfs/dbraw/zinc/90/61/12/556906112.db2.gz PYQBPQSJRSDNHO-GJZGRUSLSA-N 1 2 369.368 2.246 20 5 FEBDLO Cc1c(CC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cccc1[N+](=O)[O-] ZINC000370817644 556977042 /nfs/dbraw/zinc/97/70/42/556977042.db2.gz WZHICDRFYMPIJU-UHFFFAOYSA-N 1 2 351.366 2.343 20 5 FEBDLO Cc1nnc([C@@H]2CC23CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC3)o1 ZINC000370815679 556977119 /nfs/dbraw/zinc/97/71/19/556977119.db2.gz FYTHQRDAUDXQRV-ZDUSSCGKSA-N 1 2 371.397 2.494 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccn(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000371491487 557197830 /nfs/dbraw/zinc/19/78/30/557197830.db2.gz QUBXWBDFPHWNIB-ZDUSSCGKSA-N 1 2 366.381 2.030 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000372197649 557406698 /nfs/dbraw/zinc/40/66/98/557406698.db2.gz RHPLQKFVVRAAOW-AWEZNQCLSA-N 1 2 363.414 2.193 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCOC2(CCOCC2)CC1 ZINC000372197649 557406701 /nfs/dbraw/zinc/40/67/01/557406701.db2.gz RHPLQKFVVRAAOW-AWEZNQCLSA-N 1 2 363.414 2.193 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000372796167 557563796 /nfs/dbraw/zinc/56/37/96/557563796.db2.gz BNVZHMGWGYYPIH-CYBMUJFWSA-N 1 2 364.427 2.123 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1F ZINC000372986388 557603882 /nfs/dbraw/zinc/60/38/82/557603882.db2.gz XPKKTIIQWJVBHC-AWEZNQCLSA-N 1 2 365.405 2.369 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000373049169 557616629 /nfs/dbraw/zinc/61/66/29/557616629.db2.gz MAXZHMZIUAFKFP-HNNXBMFYSA-N 1 2 357.414 2.460 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000373049170 557616857 /nfs/dbraw/zinc/61/68/57/557616857.db2.gz MAXZHMZIUAFKFP-OAHLLOKOSA-N 1 2 357.414 2.460 20 5 FEBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374304654 557862388 /nfs/dbraw/zinc/86/23/88/557862388.db2.gz BDSLDLNCFFBJBU-GFCCVEGCSA-N 1 2 370.413 2.125 20 5 FEBDLO COc1ccccc1[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000374347018 557869438 /nfs/dbraw/zinc/86/94/38/557869438.db2.gz BNZZMDAXXGFZSZ-KRWDZBQOSA-N 1 2 355.394 2.319 20 5 FEBDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000374473283 557888525 /nfs/dbraw/zinc/88/85/25/557888525.db2.gz UFTZMJKDTLACCH-MRXNPFEDSA-N 1 2 360.414 2.397 20 5 FEBDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000374473283 557888526 /nfs/dbraw/zinc/88/85/26/557888526.db2.gz UFTZMJKDTLACCH-MRXNPFEDSA-N 1 2 360.414 2.397 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000374755641 557926115 /nfs/dbraw/zinc/92/61/15/557926115.db2.gz SXZQTCFOWPJTCC-LLVKDONJSA-N 1 2 356.791 2.497 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000375326550 558009650 /nfs/dbraw/zinc/00/96/50/558009650.db2.gz DYYSWDDJQDCSMY-JQWIXIFHSA-N 1 2 364.793 2.114 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](n2cncn2)C1 ZINC000375326550 558009652 /nfs/dbraw/zinc/00/96/52/558009652.db2.gz DYYSWDDJQDCSMY-JQWIXIFHSA-N 1 2 364.793 2.114 20 5 FEBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3ccc(N)cc3[N+](=O)[O-])CC2)no1 ZINC000376394041 558167578 /nfs/dbraw/zinc/16/75/78/558167578.db2.gz GTPIMSOYLGRETG-AWEZNQCLSA-N 1 2 360.418 2.359 20 5 FEBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3ccc(N)cc3[N+](=O)[O-])CC2)no1 ZINC000376394041 558167580 /nfs/dbraw/zinc/16/75/80/558167580.db2.gz GTPIMSOYLGRETG-AWEZNQCLSA-N 1 2 360.418 2.359 20 5 FEBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3nc(C)ccc3[N+](=O)[O-])CC2)no1 ZINC000376688396 558208659 /nfs/dbraw/zinc/20/86/59/558208659.db2.gz JXPDYRFYRVWPIM-AWEZNQCLSA-N 1 2 360.418 2.481 20 5 FEBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3nc(C)ccc3[N+](=O)[O-])CC2)no1 ZINC000376688396 558208661 /nfs/dbraw/zinc/20/86/61/558208661.db2.gz JXPDYRFYRVWPIM-AWEZNQCLSA-N 1 2 360.418 2.481 20 5 FEBDLO O=C(NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000377164049 558279725 /nfs/dbraw/zinc/27/97/25/558279725.db2.gz FYBRYKMQAUGBRD-HNNXBMFYSA-N 1 2 370.409 2.337 20 5 FEBDLO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000377164049 558279729 /nfs/dbraw/zinc/27/97/29/558279729.db2.gz FYBRYKMQAUGBRD-HNNXBMFYSA-N 1 2 370.409 2.337 20 5 FEBDLO CC(C)(C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)n1cc([N+](=O)[O-])cn1 ZINC000523274755 562210318 /nfs/dbraw/zinc/21/03/18/562210318.db2.gz VAGDSGQPCVLZHN-UHFFFAOYSA-N 1 2 358.333 2.490 20 5 FEBDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000378315006 558527575 /nfs/dbraw/zinc/52/75/75/558527575.db2.gz WAWWSEQNQFCJOL-JTQLQIEISA-N 1 2 365.187 2.368 20 5 FEBDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000378315006 558527576 /nfs/dbraw/zinc/52/75/76/558527576.db2.gz WAWWSEQNQFCJOL-JTQLQIEISA-N 1 2 365.187 2.368 20 5 FEBDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000378387997 558545758 /nfs/dbraw/zinc/54/57/58/558545758.db2.gz LYNYUUQAIPOBST-KRWDZBQOSA-N 1 2 360.414 2.397 20 5 FEBDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000378387997 558545760 /nfs/dbraw/zinc/54/57/60/558545760.db2.gz LYNYUUQAIPOBST-KRWDZBQOSA-N 1 2 360.414 2.397 20 5 FEBDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000378387998 558545804 /nfs/dbraw/zinc/54/58/04/558545804.db2.gz LYNYUUQAIPOBST-QGZVFWFLSA-N 1 2 360.414 2.397 20 5 FEBDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000378387998 558545806 /nfs/dbraw/zinc/54/58/06/558545806.db2.gz LYNYUUQAIPOBST-QGZVFWFLSA-N 1 2 360.414 2.397 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000408085010 558645071 /nfs/dbraw/zinc/64/50/71/558645071.db2.gz VWDNRGZSZVLSDJ-WDEREUQCSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000408085010 558645072 /nfs/dbraw/zinc/64/50/72/558645072.db2.gz VWDNRGZSZVLSDJ-WDEREUQCSA-N 1 2 361.851 2.270 20 5 FEBDLO O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000408156436 558652197 /nfs/dbraw/zinc/65/21/97/558652197.db2.gz ZSZODBAWHLAMLN-GOSISDBHSA-N 1 2 359.426 2.123 20 5 FEBDLO O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000408156436 558652199 /nfs/dbraw/zinc/65/21/99/558652199.db2.gz ZSZODBAWHLAMLN-GOSISDBHSA-N 1 2 359.426 2.123 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000408182375 558654217 /nfs/dbraw/zinc/65/42/17/558654217.db2.gz JOWINQPPVBICEK-ZIAGYGMSSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000408182375 558654220 /nfs/dbraw/zinc/65/42/20/558654220.db2.gz JOWINQPPVBICEK-ZIAGYGMSSA-N 1 2 353.444 2.151 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC(n2cc[nH+]c2)C1 ZINC000524256301 562226035 /nfs/dbraw/zinc/22/60/35/562226035.db2.gz VWVARDGZHLNNLF-UHFFFAOYSA-N 1 2 351.160 2.251 20 5 FEBDLO COc1ccc(CSCC(=O)N2CC(n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000524397637 562227958 /nfs/dbraw/zinc/22/79/58/562227958.db2.gz CYSNSSJEBJVFSL-UHFFFAOYSA-N 1 2 362.411 2.117 20 5 FEBDLO CN(CCc1ccncc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000524453417 562228949 /nfs/dbraw/zinc/22/89/49/562228949.db2.gz JIOQAFJTJGPZFB-UHFFFAOYSA-N 1 2 351.366 2.490 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000411580627 558922058 /nfs/dbraw/zinc/92/20/58/558922058.db2.gz GXHREJWBDROTMI-YPMHNXCESA-N 1 2 357.370 2.169 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000411580623 558922064 /nfs/dbraw/zinc/92/20/64/558922064.db2.gz GXHREJWBDROTMI-DGCLKSJQSA-N 1 2 357.370 2.169 20 5 FEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000411583309 558922749 /nfs/dbraw/zinc/92/27/49/558922749.db2.gz NXDVXHFTRIPFQH-GFCCVEGCSA-N 1 2 359.386 2.244 20 5 FEBDLO COc1ccc(CNc2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)cc1[N+](=O)[O-] ZINC000413061428 559073986 /nfs/dbraw/zinc/07/39/86/559073986.db2.gz BOYBNKZMNJXMPU-GXTWGEPZSA-N 1 2 373.413 2.213 20 5 FEBDLO COc1ccc(CNc2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)cc1[N+](=O)[O-] ZINC000413061428 559073987 /nfs/dbraw/zinc/07/39/87/559073987.db2.gz BOYBNKZMNJXMPU-GXTWGEPZSA-N 1 2 373.413 2.213 20 5 FEBDLO Cn1cc[nH+]c1CN1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413126119 559080828 /nfs/dbraw/zinc/08/08/28/559080828.db2.gz JUCGFZHUBYERQD-UHFFFAOYSA-N 1 2 370.335 2.064 20 5 FEBDLO Cc1nc(N2CCN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc[nH+]1 ZINC000413241968 559091448 /nfs/dbraw/zinc/09/14/48/559091448.db2.gz WNOLAUGAZDYLBS-UHFFFAOYSA-N 1 2 368.319 2.434 20 5 FEBDLO O=C1NC(=O)C2(CCC(Nc3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC2)N1 ZINC000413297782 559096554 /nfs/dbraw/zinc/09/65/54/559096554.db2.gz RQJDYUYIGAQZPP-UHFFFAOYSA-N 1 2 355.354 2.076 20 5 FEBDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C(C)(C)CO ZINC000414409183 559162413 /nfs/dbraw/zinc/16/24/13/559162413.db2.gz ZMBVMTKKEYCNOZ-ZDUSSCGKSA-N 1 2 365.365 2.349 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000421416618 559541889 /nfs/dbraw/zinc/54/18/89/559541889.db2.gz FUBFVCOHEQKTIR-UHFFFAOYSA-N 1 2 370.409 2.373 20 5 FEBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000427998863 559767144 /nfs/dbraw/zinc/76/71/44/559767144.db2.gz XGWNGRNEZRVCNE-SNVBAGLBSA-N 1 2 352.297 2.138 20 5 FEBDLO COc1cc(C[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)ccc1[N+](=O)[O-] ZINC000428685135 559781038 /nfs/dbraw/zinc/78/10/38/559781038.db2.gz JQYRRTKSIYAURJ-UHFFFAOYSA-N 1 2 368.455 2.394 20 5 FEBDLO CC(C)CCC[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000428939328 559786299 /nfs/dbraw/zinc/78/62/99/559786299.db2.gz MGIJGGBILQPIRM-UHFFFAOYSA-N 1 2 355.460 2.337 20 5 FEBDLO COc1cc[nH+]cc1CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000432240228 559854606 /nfs/dbraw/zinc/85/46/06/559854606.db2.gz JMOYCAWSBNVTSY-UHFFFAOYSA-N 1 2 358.354 2.103 20 5 FEBDLO CC(C)c1n[nH]c(C(=O)NCc2[nH+]ccn2CC(F)(F)F)c1[N+](=O)[O-] ZINC000433942197 559891001 /nfs/dbraw/zinc/89/10/01/559891001.db2.gz PBKSMHSGQCQSFN-UHFFFAOYSA-N 1 2 360.296 2.130 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000436678609 559948493 /nfs/dbraw/zinc/94/84/93/559948493.db2.gz HGHANEQNAIUQQE-HNNXBMFYSA-N 1 2 363.414 2.017 20 5 FEBDLO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2O)Cc2ccccc2C1 ZINC000436973113 559958122 /nfs/dbraw/zinc/95/81/22/559958122.db2.gz RLQGZFBPYTWNAS-UHFFFAOYSA-N 1 2 355.394 2.129 20 5 FEBDLO C[NH+](C)CCOc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436981185 559958397 /nfs/dbraw/zinc/95/83/97/559958397.db2.gz TYKOQFJVESGNTB-UHFFFAOYSA-N 1 2 373.409 2.213 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444638956 560117296 /nfs/dbraw/zinc/11/72/96/560117296.db2.gz XSGSGXVGRPQRPZ-UHFFFAOYSA-N 1 2 364.365 2.446 20 5 FEBDLO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000447393385 560161530 /nfs/dbraw/zinc/16/15/30/560161530.db2.gz JPKLYFAJSWIGFD-OLZOCXBDSA-N 1 2 358.822 2.094 20 5 FEBDLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000447393385 560161531 /nfs/dbraw/zinc/16/15/31/560161531.db2.gz JPKLYFAJSWIGFD-OLZOCXBDSA-N 1 2 358.822 2.094 20 5 FEBDLO CCO[C@@H]1C[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])[C@H]1OC ZINC000447815416 560169956 /nfs/dbraw/zinc/16/99/56/560169956.db2.gz FWXSCPJRKNDOPX-CGTJXYLNSA-N 1 2 365.430 2.031 20 5 FEBDLO COC(=O)CC1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448769916 560198645 /nfs/dbraw/zinc/19/86/45/560198645.db2.gz IPDXMQHYLCQOFL-UHFFFAOYSA-N 1 2 372.381 2.196 20 5 FEBDLO CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H]2CCO[C@H]21 ZINC000449928124 560245573 /nfs/dbraw/zinc/24/55/73/560245573.db2.gz PQMYRMNAUDHNPO-APHBMKBZSA-N 1 2 356.382 2.324 20 5 FEBDLO CN(C[C@H]1CCCC[C@H]1O)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450469247 560263218 /nfs/dbraw/zinc/26/32/18/560263218.db2.gz PHGQLJLQOYBQHB-RHSMWYFYSA-N 1 2 358.398 2.404 20 5 FEBDLO CCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OC ZINC000450608099 560267845 /nfs/dbraw/zinc/26/78/45/560267845.db2.gz BLTDZCRLHMAQFW-ZDUSSCGKSA-N 1 2 360.370 2.242 20 5 FEBDLO CN(CCN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)CC(F)F ZINC000450685846 560270134 /nfs/dbraw/zinc/27/01/34/560270134.db2.gz BOPNBVLADSLPDN-UHFFFAOYSA-N 1 2 367.356 2.049 20 5 FEBDLO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO[C@@H]1C1CC1 ZINC000450824114 560274766 /nfs/dbraw/zinc/27/47/66/560274766.db2.gz WADWHOWNHGUBNR-AEFFLSMTSA-N 1 2 356.382 2.468 20 5 FEBDLO Nc1c(F)c(N(CC[NH+]2CCOCC2)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000450941892 560279383 /nfs/dbraw/zinc/27/93/83/560279383.db2.gz PYRHFPSFBDMUKS-UHFFFAOYSA-N 1 2 364.377 2.248 20 5 FEBDLO Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1C1CC1 ZINC000451565939 560315154 /nfs/dbraw/zinc/31/51/54/560315154.db2.gz MXORUQWWRBTCJJ-UHFFFAOYSA-N 1 2 353.342 2.268 20 5 FEBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000451930579 560338422 /nfs/dbraw/zinc/33/84/22/560338422.db2.gz JREBAPLUYDOGMP-GFCCVEGCSA-N 1 2 361.851 2.353 20 5 FEBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000451930579 560338423 /nfs/dbraw/zinc/33/84/23/560338423.db2.gz JREBAPLUYDOGMP-GFCCVEGCSA-N 1 2 361.851 2.353 20 5 FEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452049381 560348006 /nfs/dbraw/zinc/34/80/06/560348006.db2.gz IMEKXIQMCRQXFZ-UONOGXRCSA-N 1 2 357.414 2.236 20 5 FEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452049381 560348007 /nfs/dbraw/zinc/34/80/07/560348007.db2.gz IMEKXIQMCRQXFZ-UONOGXRCSA-N 1 2 357.414 2.236 20 5 FEBDLO CC(C)[N@@H+]1CCc2nc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])sc2C1 ZINC000453021778 560381477 /nfs/dbraw/zinc/38/14/77/560381477.db2.gz GDHJPMHVDZJSCB-ARJAWSKDSA-N 1 2 363.399 2.189 20 5 FEBDLO CC(C)[N@H+]1CCc2nc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])sc2C1 ZINC000453021778 560381478 /nfs/dbraw/zinc/38/14/78/560381478.db2.gz GDHJPMHVDZJSCB-ARJAWSKDSA-N 1 2 363.399 2.189 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000453974850 560418295 /nfs/dbraw/zinc/41/82/95/560418295.db2.gz NHTKUXHXPBBNMT-LLVKDONJSA-N 1 2 359.386 2.190 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC000454041392 560424233 /nfs/dbraw/zinc/42/42/33/560424233.db2.gz XYQVYLLMHOBJCF-UHFFFAOYSA-N 1 2 356.382 2.424 20 5 FEBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000456212472 560511557 /nfs/dbraw/zinc/51/15/57/560511557.db2.gz GWVLNDNHACVNFA-TXEJJXNPSA-N 1 2 373.331 2.207 20 5 FEBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000456212472 560511558 /nfs/dbraw/zinc/51/15/58/560511558.db2.gz GWVLNDNHACVNFA-TXEJJXNPSA-N 1 2 373.331 2.207 20 5 FEBDLO CCc1cc(NC[C@]2(OC)CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000460954085 560757060 /nfs/dbraw/zinc/75/70/60/560757060.db2.gz BRQNFTYOBMERSQ-GOSISDBHSA-N 1 2 358.398 2.254 20 5 FEBDLO CCc1nnc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000461464471 560772782 /nfs/dbraw/zinc/77/27/82/560772782.db2.gz BBTFPTQUUWOCKQ-UHFFFAOYSA-N 1 2 358.383 2.124 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCCc2ccncc2)CC1 ZINC000462313201 560805292 /nfs/dbraw/zinc/80/52/92/560805292.db2.gz KXKLPFBADRUFFG-UHFFFAOYSA-N 1 2 360.439 2.442 20 5 FEBDLO COc1ccc(CNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000468080276 560922251 /nfs/dbraw/zinc/92/22/51/560922251.db2.gz POHZKPHRWCCILC-INIZCTEOSA-N 1 2 355.394 2.494 20 5 FEBDLO COc1ccc(CNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000468080276 560922252 /nfs/dbraw/zinc/92/22/52/560922252.db2.gz POHZKPHRWCCILC-INIZCTEOSA-N 1 2 355.394 2.494 20 5 FEBDLO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469425686 560955110 /nfs/dbraw/zinc/95/51/10/560955110.db2.gz DSFUDLJKOFSFOW-ZDUSSCGKSA-N 1 2 371.349 2.055 20 5 FEBDLO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000472449913 561026714 /nfs/dbraw/zinc/02/67/14/561026714.db2.gz KBFRKXXOCLHCFV-UHFFFAOYSA-N 1 2 356.386 2.351 20 5 FEBDLO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000472449913 561026715 /nfs/dbraw/zinc/02/67/15/561026715.db2.gz KBFRKXXOCLHCFV-UHFFFAOYSA-N 1 2 356.386 2.351 20 5 FEBDLO CCN1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000474841376 561084058 /nfs/dbraw/zinc/08/40/58/561084058.db2.gz MBYOZQAVSYULLF-MRXNPFEDSA-N 1 2 372.429 2.215 20 5 FEBDLO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000532433088 562477824 /nfs/dbraw/zinc/47/78/24/562477824.db2.gz SZGKWOYJXTUTKH-HOTGVXAUSA-N 1 2 351.378 2.107 20 5 FEBDLO C[C@H]1C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCO1 ZINC000532623093 562483553 /nfs/dbraw/zinc/48/35/53/562483553.db2.gz ZPKOXDNSWOXGAC-JTQLQIEISA-N 1 2 361.320 2.064 20 5 FEBDLO C[C@H]1C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCO1 ZINC000532623093 562483554 /nfs/dbraw/zinc/48/35/54/562483554.db2.gz ZPKOXDNSWOXGAC-JTQLQIEISA-N 1 2 361.320 2.064 20 5 FEBDLO Cc1cc(C(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)n1C ZINC000532707345 562486354 /nfs/dbraw/zinc/48/63/54/562486354.db2.gz YLGAVPMFOZJZAP-AWEZNQCLSA-N 1 2 357.414 2.314 20 5 FEBDLO Cc1cc(C(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)n1C ZINC000532707345 562486355 /nfs/dbraw/zinc/48/63/55/562486355.db2.gz YLGAVPMFOZJZAP-AWEZNQCLSA-N 1 2 357.414 2.314 20 5 FEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000534272248 562529166 /nfs/dbraw/zinc/52/91/66/562529166.db2.gz YOPHFFKIQXJNQB-LBPRGKRZSA-N 1 2 353.444 2.157 20 5 FEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000534272248 562529167 /nfs/dbraw/zinc/52/91/67/562529167.db2.gz YOPHFFKIQXJNQB-LBPRGKRZSA-N 1 2 353.444 2.157 20 5 FEBDLO Cn1cc(C[NH+]2CCN(C(=O)C3CC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534335787 562531893 /nfs/dbraw/zinc/53/18/93/562531893.db2.gz YTMOURCNISYXMD-UHFFFAOYSA-N 1 2 369.425 2.050 20 5 FEBDLO Cc1cc(N2CCN(Cc3[nH]cc[nH+]3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000537346507 562589971 /nfs/dbraw/zinc/58/99/71/562589971.db2.gz WNWNMAWJKFTQJZ-UHFFFAOYSA-N 1 2 352.398 2.497 20 5 FEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1ccccc1 ZINC000541924684 562623556 /nfs/dbraw/zinc/62/35/56/562623556.db2.gz XSQLUPLEDRUADZ-HNNXBMFYSA-N 1 2 352.354 2.056 20 5 FEBDLO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000549717920 562638297 /nfs/dbraw/zinc/63/82/97/562638297.db2.gz KBMNMLBOZDNOEJ-WBVHZDCISA-N 1 2 364.398 2.091 20 5 FEBDLO COC[C@]1(CO)CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602680727 568010037 /nfs/dbraw/zinc/01/00/37/568010037.db2.gz GJUKBUHHXOEAGZ-GFCCVEGCSA-N 1 2 365.249 2.250 20 5 FEBDLO COC[C@]1(CO)CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602680727 568010039 /nfs/dbraw/zinc/01/00/39/568010039.db2.gz GJUKBUHHXOEAGZ-GFCCVEGCSA-N 1 2 365.249 2.250 20 5 FEBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000569037812 568277566 /nfs/dbraw/zinc/27/75/66/568277566.db2.gz BUPQMLRPFYFIKT-UHFFFAOYSA-N 1 2 359.357 2.398 20 5 FEBDLO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCn2cc[nH+]c2C1 ZINC000569404531 568401016 /nfs/dbraw/zinc/40/10/16/568401016.db2.gz XLAOBXFOZQKJML-ZDUSSCGKSA-N 1 2 368.397 2.129 20 5 FEBDLO Cc1cccc([C@H]2C(=O)NCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000570463340 568478307 /nfs/dbraw/zinc/47/83/07/568478307.db2.gz YOWFFINRRSKGTP-SFHVURJKSA-N 1 2 355.394 2.455 20 5 FEBDLO Cc1cccc([C@H]2C(=O)NCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000570463340 568478309 /nfs/dbraw/zinc/47/83/09/568478309.db2.gz YOWFFINRRSKGTP-SFHVURJKSA-N 1 2 355.394 2.455 20 5 FEBDLO C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000813526144 674755921 /nfs/dbraw/zinc/75/59/21/674755921.db2.gz GRJZQOWWYWVXTK-SECBINFHSA-N 1 2 362.213 2.040 20 5 FEBDLO C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@H+]1CCO ZINC000813526144 674755926 /nfs/dbraw/zinc/75/59/26/674755926.db2.gz GRJZQOWWYWVXTK-SECBINFHSA-N 1 2 362.213 2.040 20 5 FEBDLO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C/C(Cl)=C\Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525555 675008970 /nfs/dbraw/zinc/00/89/70/675008970.db2.gz XSGYLMYJMZBNKK-GRLZYVPYSA-N 1 2 362.257 2.330 20 5 FEBDLO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C(Cl)=C\Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525555 675008972 /nfs/dbraw/zinc/00/89/72/675008972.db2.gz XSGYLMYJMZBNKK-GRLZYVPYSA-N 1 2 362.257 2.330 20 5 FEBDLO CCc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000573320849 671108745 /nfs/dbraw/zinc/10/87/45/671108745.db2.gz NODGLCCJEKTALY-ZDUSSCGKSA-N 1 2 364.427 2.449 20 5 FEBDLO CC(C)C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000609441594 675922247 /nfs/dbraw/zinc/92/22/47/675922247.db2.gz KJKOINYTUGWAIF-MRXNPFEDSA-N 1 2 353.394 2.211 20 5 FEBDLO CCc1ccc(S(=O)(=O)N2CC[N@@H+](CC)C[C@@H]2CC)cc1[N+](=O)[O-] ZINC000581188326 671871770 /nfs/dbraw/zinc/87/17/70/671871770.db2.gz WSEBUFOIFGLYPR-AWEZNQCLSA-N 1 2 355.460 2.262 20 5 FEBDLO CCc1ccc(S(=O)(=O)N2CC[N@H+](CC)C[C@@H]2CC)cc1[N+](=O)[O-] ZINC000581188326 671871775 /nfs/dbraw/zinc/87/17/75/671871775.db2.gz WSEBUFOIFGLYPR-AWEZNQCLSA-N 1 2 355.460 2.262 20 5 FEBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611233327 676027226 /nfs/dbraw/zinc/02/72/26/676027226.db2.gz BWAZHJQUIMZTMA-HNNXBMFYSA-N 1 2 364.427 2.001 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)c(F)cc1[N+](=O)[O-] ZINC000590591014 672593869 /nfs/dbraw/zinc/59/38/69/672593869.db2.gz GQOQVMALZQIVRM-UHFFFAOYSA-N 1 2 368.390 2.265 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000593055545 672869259 /nfs/dbraw/zinc/86/92/59/672869259.db2.gz LJUBACANRFOHIH-CQSZACIVSA-N 1 2 351.403 2.431 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000593055545 672869266 /nfs/dbraw/zinc/86/92/66/672869266.db2.gz LJUBACANRFOHIH-CQSZACIVSA-N 1 2 351.403 2.431 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595068365 673190523 /nfs/dbraw/zinc/19/05/23/673190523.db2.gz LLHFLBQEGFLISN-UONOGXRCSA-N 1 2 352.341 2.432 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000595068999 673190549 /nfs/dbraw/zinc/19/05/49/673190549.db2.gz LZAAUIGHSIQQKC-ZIAGYGMSSA-N 1 2 352.341 2.432 20 5 FEBDLO COc1ccc(NC(=O)CC[N@H+](C)Cc2nnc(C)s2)c([N+](=O)[O-])c1 ZINC000595885519 673334736 /nfs/dbraw/zinc/33/47/36/673334736.db2.gz OGHVZCXSQUTKAY-UHFFFAOYSA-N 1 2 365.415 2.224 20 5 FEBDLO COc1ccc(NC(=O)CC[N@@H+](C)Cc2nnc(C)s2)c([N+](=O)[O-])c1 ZINC000595885519 673334740 /nfs/dbraw/zinc/33/47/40/673334740.db2.gz OGHVZCXSQUTKAY-UHFFFAOYSA-N 1 2 365.415 2.224 20 5 FEBDLO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@](C)(C(F)F)O1 ZINC000595921313 673340108 /nfs/dbraw/zinc/34/01/08/673340108.db2.gz XGQISLCOIUKQAS-FFSVYQOJSA-N 1 2 360.357 2.079 20 5 FEBDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@](C)(C(F)F)O1 ZINC000595921313 673340112 /nfs/dbraw/zinc/34/01/12/673340112.db2.gz XGQISLCOIUKQAS-FFSVYQOJSA-N 1 2 360.357 2.079 20 5 FEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596454206 673386427 /nfs/dbraw/zinc/38/64/27/673386427.db2.gz PPRCYXKBCUHTRE-MNOVXSKESA-N 1 2 356.810 2.479 20 5 FEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596454206 673386431 /nfs/dbraw/zinc/38/64/31/673386431.db2.gz PPRCYXKBCUHTRE-MNOVXSKESA-N 1 2 356.810 2.479 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000596540341 673392566 /nfs/dbraw/zinc/39/25/66/673392566.db2.gz KVNFUDDOHNGEFP-BFHYXJOUSA-N 1 2 350.419 2.064 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000596540341 673392568 /nfs/dbraw/zinc/39/25/68/673392568.db2.gz KVNFUDDOHNGEFP-BFHYXJOUSA-N 1 2 350.419 2.064 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000598000498 673528835 /nfs/dbraw/zinc/52/88/35/673528835.db2.gz VGVWYCHUHMOMBU-RYUDHWBXSA-N 1 2 353.444 2.156 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000598000498 673528838 /nfs/dbraw/zinc/52/88/38/673528838.db2.gz VGVWYCHUHMOMBU-RYUDHWBXSA-N 1 2 353.444 2.156 20 5 FEBDLO O=C(C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599639656 673700641 /nfs/dbraw/zinc/70/06/41/673700641.db2.gz LJODOKFAAMMGKV-MEDUHNTESA-N 1 2 353.806 2.281 20 5 FEBDLO O=C(C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599639656 673700643 /nfs/dbraw/zinc/70/06/43/673700643.db2.gz LJODOKFAAMMGKV-MEDUHNTESA-N 1 2 353.806 2.281 20 5 FEBDLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)n1 ZINC000544475695 673713634 /nfs/dbraw/zinc/71/36/34/673713634.db2.gz ZLDIRCSUFWARHE-VIFPVBQESA-N 1 2 364.383 2.378 20 5 FEBDLO NC(=O)C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000600208580 673748937 /nfs/dbraw/zinc/74/89/37/673748937.db2.gz MVCIDTAITICFMK-GFCCVEGCSA-N 1 2 361.423 2.400 20 5 FEBDLO NC(=O)C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000600208580 673748939 /nfs/dbraw/zinc/74/89/39/673748939.db2.gz MVCIDTAITICFMK-GFCCVEGCSA-N 1 2 361.423 2.400 20 5 FEBDLO NC(=O)C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000600208581 673749110 /nfs/dbraw/zinc/74/91/10/673749110.db2.gz MVCIDTAITICFMK-LBPRGKRZSA-N 1 2 361.423 2.400 20 5 FEBDLO NC(=O)C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000600208581 673749114 /nfs/dbraw/zinc/74/91/14/673749114.db2.gz MVCIDTAITICFMK-LBPRGKRZSA-N 1 2 361.423 2.400 20 5 FEBDLO C[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000840155708 680803078 /nfs/dbraw/zinc/80/30/78/680803078.db2.gz VVZNVENNSTUGMD-QWHCGFSZSA-N 1 2 353.423 2.232 20 5 FEBDLO C[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000840155708 680803080 /nfs/dbraw/zinc/80/30/80/680803080.db2.gz VVZNVENNSTUGMD-QWHCGFSZSA-N 1 2 353.423 2.232 20 5 FEBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(C)(C)C[NH+]1CCOCC1 ZINC000840568402 680832371 /nfs/dbraw/zinc/83/23/71/680832371.db2.gz MVJFQUAQGILOMG-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000840950116 680856115 /nfs/dbraw/zinc/85/61/15/680856115.db2.gz FGZTZONMDALPCK-JTQLQIEISA-N 1 2 372.834 2.368 20 5 FEBDLO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)OCC[NH+]1CCSCC1 ZINC000835211596 680307174 /nfs/dbraw/zinc/30/71/74/680307174.db2.gz CKMDXCSDFIADCW-UHFFFAOYSA-N 1 2 352.412 2.150 20 5 FEBDLO CCN1CC[NH+](CC(C)(C)NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000837134986 680557760 /nfs/dbraw/zinc/55/77/60/680557760.db2.gz OSAPGQQXIJCMBY-UHFFFAOYSA-N 1 2 368.865 2.394 20 5 FEBDLO Cc1cc(Cl)c(C(=O)NC(C)(C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000841332105 680873434 /nfs/dbraw/zinc/87/34/34/680873434.db2.gz OLDYXATVIGYNAP-UHFFFAOYSA-N 1 2 355.822 2.397 20 5 FEBDLO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844760616 681080578 /nfs/dbraw/zinc/08/05/78/681080578.db2.gz XEMACIISHNKRPF-GJZGRUSLSA-N 1 2 353.325 2.221 20 5 FEBDLO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844760616 681080579 /nfs/dbraw/zinc/08/05/79/681080579.db2.gz XEMACIISHNKRPF-GJZGRUSLSA-N 1 2 353.325 2.221 20 5 FEBDLO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000845731149 681149105 /nfs/dbraw/zinc/14/91/05/681149105.db2.gz RWRUKVFYSFTAQF-LLVKDONJSA-N 1 2 370.427 2.028 20 5 FEBDLO CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000845731149 681149109 /nfs/dbraw/zinc/14/91/09/681149109.db2.gz RWRUKVFYSFTAQF-LLVKDONJSA-N 1 2 370.427 2.028 20 5 FEBDLO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000845734273 681149479 /nfs/dbraw/zinc/14/94/79/681149479.db2.gz GNRWQTYKOLPNCF-GFCCVEGCSA-N 1 2 370.427 2.028 20 5 FEBDLO CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000845734273 681149480 /nfs/dbraw/zinc/14/94/80/681149480.db2.gz GNRWQTYKOLPNCF-GFCCVEGCSA-N 1 2 370.427 2.028 20 5 FEBDLO CCCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774839095 681240566 /nfs/dbraw/zinc/24/05/66/681240566.db2.gz ATNSVLVZOXJKTL-UHFFFAOYSA-N 1 2 350.375 2.384 20 5 FEBDLO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847179157 681340520 /nfs/dbraw/zinc/34/05/20/681340520.db2.gz IDCGAGYDZLCVNE-SDDRHHMPSA-N 1 2 355.822 2.476 20 5 FEBDLO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847179157 681340523 /nfs/dbraw/zinc/34/05/23/681340523.db2.gz IDCGAGYDZLCVNE-SDDRHHMPSA-N 1 2 355.822 2.476 20 5 FEBDLO C[C@@H]1[C@@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)CCN1C(=O)OC(C)(C)C ZINC000776606318 681415441 /nfs/dbraw/zinc/41/54/41/681415441.db2.gz JRXYJWIBPUCCBY-CHWSQXEVSA-N 1 2 353.423 2.121 20 5 FEBDLO C[C@@H]1[C@@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCN1C(=O)OC(C)(C)C ZINC000776606318 681415444 /nfs/dbraw/zinc/41/54/44/681415444.db2.gz JRXYJWIBPUCCBY-CHWSQXEVSA-N 1 2 353.423 2.121 20 5 FEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@H]1C ZINC000778034162 681561240 /nfs/dbraw/zinc/56/12/40/681561240.db2.gz ZYHDVVJMZLGELS-NEPJUHHUSA-N 1 2 359.423 2.146 20 5 FEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@H]1C ZINC000778034162 681561245 /nfs/dbraw/zinc/56/12/45/681561245.db2.gz ZYHDVVJMZLGELS-NEPJUHHUSA-N 1 2 359.423 2.146 20 5 FEBDLO Cc1nn(C[N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000779859731 681761315 /nfs/dbraw/zinc/76/13/15/681761315.db2.gz YPRJZTZOCOSJCI-CYBMUJFWSA-N 1 2 353.423 2.294 20 5 FEBDLO Cc1nn(C[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000779859731 681761317 /nfs/dbraw/zinc/76/13/17/681761317.db2.gz YPRJZTZOCOSJCI-CYBMUJFWSA-N 1 2 353.423 2.294 20 5 FEBDLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)nn1 ZINC000783675326 682166502 /nfs/dbraw/zinc/16/65/02/682166502.db2.gz YZETYCKXLGVPDU-NSHDSACASA-N 1 2 365.777 2.073 20 5 FEBDLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)nn1 ZINC000783675326 682166505 /nfs/dbraw/zinc/16/65/05/682166505.db2.gz YZETYCKXLGVPDU-NSHDSACASA-N 1 2 365.777 2.073 20 5 FEBDLO COC(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000852570549 682301140 /nfs/dbraw/zinc/30/11/40/682301140.db2.gz OIQAORVVGMAZDS-JTQLQIEISA-N 1 2 372.809 2.205 20 5 FEBDLO COC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000852570549 682301147 /nfs/dbraw/zinc/30/11/47/682301147.db2.gz OIQAORVVGMAZDS-JTQLQIEISA-N 1 2 372.809 2.205 20 5 FEBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927764086 683306455 /nfs/dbraw/zinc/30/64/55/683306455.db2.gz RQRLDVSWLQXBLM-UHFFFAOYSA-N 1 2 352.391 2.490 20 5 FEBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000930317663 683710037 /nfs/dbraw/zinc/71/00/37/683710037.db2.gz WMEGVTLRPYENOE-AWEZNQCLSA-N 1 2 350.419 2.444 20 5 FEBDLO NC(=O)[C@H](F)C1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000931222337 684243221 /nfs/dbraw/zinc/24/32/21/684243221.db2.gz YZGLTSIAUAVKBE-CYBMUJFWSA-N 1 2 374.210 2.393 20 5 FEBDLO C[C@@H]1C[N@H+](CCNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000931400746 684276262 /nfs/dbraw/zinc/27/62/62/684276262.db2.gz CBLMFGNSBCMXTH-GFCCVEGCSA-N 1 2 355.822 2.018 20 5 FEBDLO C[C@@H]1C[N@@H+](CCNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000931400746 684276265 /nfs/dbraw/zinc/27/62/65/684276265.db2.gz CBLMFGNSBCMXTH-GFCCVEGCSA-N 1 2 355.822 2.018 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925245551 684543792 /nfs/dbraw/zinc/54/37/92/684543792.db2.gz GHTYSUQMYYGUTK-HZSPNIEDSA-N 1 2 350.419 2.064 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925245551 684543794 /nfs/dbraw/zinc/54/37/94/684543794.db2.gz GHTYSUQMYYGUTK-HZSPNIEDSA-N 1 2 350.419 2.064 20 5 FEBDLO CCON(CC)C(=O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000877650095 686429987 /nfs/dbraw/zinc/42/99/87/686429987.db2.gz FLGCXZRKZZHJQX-UHFFFAOYSA-N 1 2 366.237 2.308 20 5 FEBDLO O=[N+]([O-])c1c(Br)cc(F)cc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000882114465 687306192 /nfs/dbraw/zinc/30/61/92/687306192.db2.gz QTZIKVXSKMDDBE-NSHDSACASA-N 1 2 374.210 2.407 20 5 FEBDLO COc1c(O)ccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000891593599 689081223 /nfs/dbraw/zinc/08/12/23/689081223.db2.gz SILALMVKWGUNBS-UHFFFAOYSA-N 1 2 363.336 2.379 20 5 FEBDLO COc1c(O)ccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000891593599 689081226 /nfs/dbraw/zinc/08/12/26/689081226.db2.gz SILALMVKWGUNBS-UHFFFAOYSA-N 1 2 363.336 2.379 20 5 FEBDLO COc1c(O)ccc(C[NH+]2CCC(CO)(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000897037329 689966013 /nfs/dbraw/zinc/96/60/13/689966013.db2.gz KXYNZKDKPXZURC-UHFFFAOYSA-N 1 2 364.320 2.446 20 5 FEBDLO Cc1nn(C[N@@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)cc1[N+](=O)[O-] ZINC000902619714 690787701 /nfs/dbraw/zinc/78/77/01/690787701.db2.gz VJOXNDLOFLGDAV-JTQLQIEISA-N 1 2 356.308 2.356 20 5 FEBDLO Cc1nn(C[N@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)cc1[N+](=O)[O-] ZINC000902619714 690787705 /nfs/dbraw/zinc/78/77/05/690787705.db2.gz VJOXNDLOFLGDAV-JTQLQIEISA-N 1 2 356.308 2.356 20 5 FEBDLO CCOC(=O)c1ccnc(NCc2ccc(-n3cc[nH+]c3)nc2)c1[N+](=O)[O-] ZINC000359899705 210195848 /nfs/dbraw/zinc/19/58/48/210195848.db2.gz NXQAGMUZVRWNML-UHFFFAOYSA-N 1 2 368.353 2.359 20 5 FEBDLO O=[N+]([O-])c1cc(Cn2c3ccccc3[nH+]c2NCCO)c2c(c1)COCO2 ZINC000005185585 539404633 /nfs/dbraw/zinc/40/46/33/539404633.db2.gz DJFZCXHUGBNBPP-UHFFFAOYSA-N 1 2 370.365 2.264 20 5 FEBDLO CCOC(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000007812328 539467845 /nfs/dbraw/zinc/46/78/45/539467845.db2.gz CNYQDZQBITZYAO-UHFFFAOYSA-N 1 2 369.805 2.462 20 5 FEBDLO Cc1c(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000025290351 539754071 /nfs/dbraw/zinc/75/40/71/539754071.db2.gz JGDWDMLGOAUUEA-UHFFFAOYSA-N 1 2 356.382 2.065 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000027806553 539818208 /nfs/dbraw/zinc/81/82/08/539818208.db2.gz MYPGWTMYANYIOP-UHFFFAOYSA-N 1 2 368.349 2.412 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000029393664 539852269 /nfs/dbraw/zinc/85/22/69/539852269.db2.gz PFEGHRGIVFJQRP-UHFFFAOYSA-N 1 2 362.411 2.069 20 5 FEBDLO CCCNC(=O)C[NH+]1CCC(Nc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000029622312 539859384 /nfs/dbraw/zinc/85/93/84/539859384.db2.gz PPVMKTTVSGLHLF-UHFFFAOYSA-N 1 2 362.430 2.200 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nc(N)cc(C)[nH+]1 ZINC000031745930 539918130 /nfs/dbraw/zinc/91/81/30/539918130.db2.gz NSDCZEIRGVNEGP-UHFFFAOYSA-N 1 2 363.399 2.405 20 5 FEBDLO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000033243614 539972208 /nfs/dbraw/zinc/97/22/08/539972208.db2.gz WAFGLJVEHLEVCF-OAHLLOKOSA-N 1 2 355.822 2.335 20 5 FEBDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000042098034 540051202 /nfs/dbraw/zinc/05/12/02/540051202.db2.gz YJVWXBYFDGJOEO-AWEZNQCLSA-N 1 2 364.421 2.257 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000046033831 540238368 /nfs/dbraw/zinc/23/83/68/540238368.db2.gz LHQLCUHKLHFCOF-CYBMUJFWSA-N 1 2 353.400 2.077 20 5 FEBDLO CC(C)CN(C(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000051374145 540431613 /nfs/dbraw/zinc/43/16/13/540431613.db2.gz KNJFPFBLKVHZLV-UHFFFAOYSA-N 1 2 360.458 2.364 20 5 FEBDLO Cc1cc(N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000051767228 540444243 /nfs/dbraw/zinc/44/42/43/540444243.db2.gz YAPRKAFRBCCIFW-MRXNPFEDSA-N 1 2 360.458 2.426 20 5 FEBDLO O=C(Cc1ccccc1)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051831393 540445817 /nfs/dbraw/zinc/44/58/17/540445817.db2.gz QIBGSSMCXUHKCT-UHFFFAOYSA-N 1 2 369.421 2.361 20 5 FEBDLO COc1cc(C[N@H+](CC(N)=O)C2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000052826498 540491505 /nfs/dbraw/zinc/49/15/05/540491505.db2.gz WUUMNFDHRQYCLK-UHFFFAOYSA-N 1 2 373.356 2.435 20 5 FEBDLO COc1cc(C[N@@H+](CC(N)=O)C2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000052826498 540491509 /nfs/dbraw/zinc/49/15/09/540491509.db2.gz WUUMNFDHRQYCLK-UHFFFAOYSA-N 1 2 373.356 2.435 20 5 FEBDLO Cc1noc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000054677172 540602362 /nfs/dbraw/zinc/60/23/62/540602362.db2.gz AMWFDMBGRNMCSU-AAEUAGOBSA-N 1 2 359.386 2.493 20 5 FEBDLO Cc1noc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000054677172 540602364 /nfs/dbraw/zinc/60/23/64/540602364.db2.gz AMWFDMBGRNMCSU-AAEUAGOBSA-N 1 2 359.386 2.493 20 5 FEBDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000060468133 541112990 /nfs/dbraw/zinc/11/29/90/541112990.db2.gz UTBBRLMQFYPPHA-LLVKDONJSA-N 1 2 351.357 2.490 20 5 FEBDLO Cc1ccc(CNC(=O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000061019405 541124923 /nfs/dbraw/zinc/12/49/23/541124923.db2.gz YOXAYSORKLPBFB-UHFFFAOYSA-N 1 2 368.437 2.342 20 5 FEBDLO Nc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1[N+](=O)[O-] ZINC000063109495 541156845 /nfs/dbraw/zinc/15/68/45/541156845.db2.gz JHMTXXMIHJQTLI-UHFFFAOYSA-N 1 2 355.329 2.432 20 5 FEBDLO CCc1nc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000063603903 541174835 /nfs/dbraw/zinc/17/48/35/541174835.db2.gz DXLXOAFUPNDDDN-CQSZACIVSA-N 1 2 351.428 2.485 20 5 FEBDLO CCc1nc(C[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000063603903 541174839 /nfs/dbraw/zinc/17/48/39/541174839.db2.gz DXLXOAFUPNDDDN-CQSZACIVSA-N 1 2 351.428 2.485 20 5 FEBDLO Nc1c(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc(F)cc1[N+](=O)[O-] ZINC000068230176 541566219 /nfs/dbraw/zinc/56/62/19/541566219.db2.gz VXCMKVJPRJMWBF-UHFFFAOYSA-N 1 2 374.372 2.401 20 5 FEBDLO Cc1cccc2[nH+]c(CNC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)cn21 ZINC000068570450 541610408 /nfs/dbraw/zinc/61/04/08/541610408.db2.gz VFIJGAUSARHVFM-UHFFFAOYSA-N 1 2 368.349 2.252 20 5 FEBDLO O=C(NC[C@H](O)C1CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000069495982 541691464 /nfs/dbraw/zinc/69/14/64/541691464.db2.gz LLXITUUYCUVJGU-KRWDZBQOSA-N 1 2 358.398 2.452 20 5 FEBDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072632576 541841944 /nfs/dbraw/zinc/84/19/44/541841944.db2.gz DUVMKKDBRKGIBL-INIZCTEOSA-N 1 2 362.430 2.175 20 5 FEBDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072632576 541841947 /nfs/dbraw/zinc/84/19/47/541841947.db2.gz DUVMKKDBRKGIBL-INIZCTEOSA-N 1 2 362.430 2.175 20 5 FEBDLO O=C(NCc1cccnc1-n1cc[nH+]c1)c1cc([N+](=O)[O-])cc(F)c1F ZINC000072871217 541885987 /nfs/dbraw/zinc/88/59/87/541885987.db2.gz IHYVBAAJZVGOOZ-UHFFFAOYSA-N 1 2 359.292 2.384 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2cscn2)CC1 ZINC000076896444 542329173 /nfs/dbraw/zinc/32/91/73/542329173.db2.gz ZDTARNGBNIZWQU-UHFFFAOYSA-N 1 2 360.439 2.375 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111295130 543393907 /nfs/dbraw/zinc/39/39/07/543393907.db2.gz PUUVBSISVUVZBJ-BBRMVZONSA-N 1 2 360.414 2.009 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111295130 543393910 /nfs/dbraw/zinc/39/39/10/543393910.db2.gz PUUVBSISVUVZBJ-BBRMVZONSA-N 1 2 360.414 2.009 20 5 FEBDLO Cc1sc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000123033012 543738820 /nfs/dbraw/zinc/73/88/20/543738820.db2.gz KYCRAOCFKPZSGA-UHFFFAOYSA-N 1 2 359.473 2.214 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000126168339 543921874 /nfs/dbraw/zinc/92/18/74/543921874.db2.gz BOHWGZNKTYZVFZ-RDJZCZTQSA-N 1 2 364.423 2.470 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000126168339 543921876 /nfs/dbraw/zinc/92/18/76/543921876.db2.gz BOHWGZNKTYZVFZ-RDJZCZTQSA-N 1 2 364.423 2.470 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+](C)C[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000126181010 543922501 /nfs/dbraw/zinc/92/25/01/543922501.db2.gz IIDPGGJIUGJTTP-CQSZACIVSA-N 1 2 351.403 2.433 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+](C)C[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000126181010 543922504 /nfs/dbraw/zinc/92/25/04/543922504.db2.gz IIDPGGJIUGJTTP-CQSZACIVSA-N 1 2 351.403 2.433 20 5 FEBDLO Cc1cc([C@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCO2)ccc1F ZINC000128611396 544062538 /nfs/dbraw/zinc/06/25/38/544062538.db2.gz RZXSSVDTDGVIFJ-QGZVFWFLSA-N 1 2 361.373 2.278 20 5 FEBDLO Cc1cc([C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCO2)ccc1F ZINC000128611396 544062540 /nfs/dbraw/zinc/06/25/40/544062540.db2.gz RZXSSVDTDGVIFJ-QGZVFWFLSA-N 1 2 361.373 2.278 20 5 FEBDLO CCN(CC)C(=O)CN1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000129228601 544098674 /nfs/dbraw/zinc/09/86/74/544098674.db2.gz UENRRJVXGFLBCF-UHFFFAOYSA-N 1 2 362.474 2.279 20 5 FEBDLO CCN(CC)C(=O)CN1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000129228601 544098676 /nfs/dbraw/zinc/09/86/76/544098676.db2.gz UENRRJVXGFLBCF-UHFFFAOYSA-N 1 2 362.474 2.279 20 5 FEBDLO CN(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000130032135 544136215 /nfs/dbraw/zinc/13/62/15/544136215.db2.gz OYZZWOXOSLUZSZ-UHFFFAOYSA-N 1 2 369.425 2.014 20 5 FEBDLO CC[C@H](c1ccccc1)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)OC ZINC000133279918 544263011 /nfs/dbraw/zinc/26/30/11/544263011.db2.gz MLTNTNYDJJOOHI-QGZVFWFLSA-N 1 2 373.409 2.383 20 5 FEBDLO CC[C@H](c1ccccc1)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)OC ZINC000133279918 544263013 /nfs/dbraw/zinc/26/30/13/544263013.db2.gz MLTNTNYDJJOOHI-QGZVFWFLSA-N 1 2 373.409 2.383 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000133835052 544285424 /nfs/dbraw/zinc/28/54/24/544285424.db2.gz DMBOKZXZQIDWPB-SFHVURJKSA-N 1 2 371.393 2.134 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCc3ccccc3[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000133835052 544285425 /nfs/dbraw/zinc/28/54/25/544285425.db2.gz DMBOKZXZQIDWPB-SFHVURJKSA-N 1 2 371.393 2.134 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000137297313 544388412 /nfs/dbraw/zinc/38/84/12/544388412.db2.gz QOTDTNTYPOUEDB-ZDUSSCGKSA-N 1 2 353.806 2.185 20 5 FEBDLO C[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000185339977 327912189 /nfs/dbraw/zinc/91/21/89/327912189.db2.gz VQDAVJGRPVWFLZ-ZFWWWQNUSA-N 1 2 365.405 2.161 20 5 FEBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000187405502 328023171 /nfs/dbraw/zinc/02/31/71/328023171.db2.gz LEDOJTUAKFYUPV-UHFFFAOYSA-N 1 2 355.347 2.353 20 5 FEBDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000188781201 328110596 /nfs/dbraw/zinc/11/05/96/328110596.db2.gz TZAMJTNXIARWIT-WBVHZDCISA-N 1 2 360.366 2.353 20 5 FEBDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000188781201 328110598 /nfs/dbraw/zinc/11/05/98/328110598.db2.gz TZAMJTNXIARWIT-WBVHZDCISA-N 1 2 360.366 2.353 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000018826720 324390611 /nfs/dbraw/zinc/39/06/11/324390611.db2.gz JAIWRQFNCAVLRW-UHFFFAOYSA-N 1 2 361.423 2.493 20 5 FEBDLO O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078122705 325032414 /nfs/dbraw/zinc/03/24/14/325032414.db2.gz XUXBOWVFGBCKQM-LJQANCHMSA-N 1 2 367.405 2.385 20 5 FEBDLO O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078122705 325032418 /nfs/dbraw/zinc/03/24/18/325032418.db2.gz XUXBOWVFGBCKQM-LJQANCHMSA-N 1 2 367.405 2.385 20 5 FEBDLO O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000081702847 325192801 /nfs/dbraw/zinc/19/28/01/325192801.db2.gz KIEQQEOFWCBRDF-QZTJIDSGSA-N 1 2 364.361 2.169 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)N2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000083988084 325226693 /nfs/dbraw/zinc/22/66/93/325226693.db2.gz DLHXJGSEPXKBOT-UHFFFAOYSA-N 1 2 359.835 2.025 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(N2CCCC2=O)CC1 ZINC000104730360 325544135 /nfs/dbraw/zinc/54/41/35/325544135.db2.gz GERMIVOISAIUJV-CYBMUJFWSA-N 1 2 360.414 2.009 20 5 FEBDLO Cc1n[nH]c(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000116204742 325999509 /nfs/dbraw/zinc/99/95/09/325999509.db2.gz WVJPIDPMWVGASW-UHFFFAOYSA-N 1 2 358.402 2.332 20 5 FEBDLO Cc1cc(N)nc(SCCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[nH+]1 ZINC000117108884 326051120 /nfs/dbraw/zinc/05/11/20/326051120.db2.gz SRUDYDDYCKRWDX-UHFFFAOYSA-N 1 2 361.383 2.366 20 5 FEBDLO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000118979554 326115036 /nfs/dbraw/zinc/11/50/36/326115036.db2.gz WUNPYNGBOVRYLA-ZDUSSCGKSA-N 1 2 371.353 2.215 20 5 FEBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000119687801 326188321 /nfs/dbraw/zinc/18/83/21/326188321.db2.gz IUQPSEMKYZDKJX-CQSZACIVSA-N 1 2 358.398 2.188 20 5 FEBDLO Cc1cc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c(N)c([N+](=O)[O-])c1 ZINC000120933242 326300143 /nfs/dbraw/zinc/30/01/43/326300143.db2.gz WVKDVTCNVXQORF-CYBMUJFWSA-N 1 2 357.414 2.314 20 5 FEBDLO Nc1c(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cc(F)cc1[N+](=O)[O-] ZINC000131212706 326570283 /nfs/dbraw/zinc/57/02/83/326570283.db2.gz MRDKTAOJOAOTLC-LBPRGKRZSA-N 1 2 359.361 2.110 20 5 FEBDLO CN(C)c1ccc(Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])c[nH+]1 ZINC000151780391 326690817 /nfs/dbraw/zinc/69/08/17/326690817.db2.gz SQGUQXCICBOGJS-UHFFFAOYSA-N 1 2 365.415 2.050 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000153273219 326728766 /nfs/dbraw/zinc/72/87/66/326728766.db2.gz XCQRDZOPABTDPK-CQSZACIVSA-N 1 2 374.441 2.399 20 5 FEBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000159417552 326930920 /nfs/dbraw/zinc/93/09/20/326930920.db2.gz VIELZLSYJKJNFT-LLVKDONJSA-N 1 2 362.411 2.276 20 5 FEBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163264914 327047224 /nfs/dbraw/zinc/04/72/24/327047224.db2.gz NSHQHZUBEQGEDP-GFCCVEGCSA-N 1 2 366.849 2.033 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000247049236 328665141 /nfs/dbraw/zinc/66/51/41/328665141.db2.gz NLKHBWNKFAKMMX-ILXRZTDVSA-N 1 2 364.446 2.373 20 5 FEBDLO C[NH+](C)CCOc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000264207181 329000130 /nfs/dbraw/zinc/00/01/30/329000130.db2.gz GUXQHMGOCJPQGH-UHFFFAOYSA-N 1 2 373.409 2.213 20 5 FEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000265252189 329107251 /nfs/dbraw/zinc/10/72/51/329107251.db2.gz KAGUWEVRMDFJTO-LLVKDONJSA-N 1 2 352.778 2.419 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H]1CO)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000266729264 329253690 /nfs/dbraw/zinc/25/36/90/329253690.db2.gz KGPALNUFPPBEFQ-ZDUSSCGKSA-N 1 2 362.411 2.114 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H]1CO)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000266729264 329253691 /nfs/dbraw/zinc/25/36/91/329253691.db2.gz KGPALNUFPPBEFQ-ZDUSSCGKSA-N 1 2 362.411 2.114 20 5 FEBDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000267321977 329314717 /nfs/dbraw/zinc/31/47/17/329314717.db2.gz ACJDVLXOHQTTFB-CYBMUJFWSA-N 1 2 361.402 2.398 20 5 FEBDLO CO[C@H](C)c1noc(C[N@H+]2CCCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000267321977 329314718 /nfs/dbraw/zinc/31/47/18/329314718.db2.gz ACJDVLXOHQTTFB-CYBMUJFWSA-N 1 2 361.402 2.398 20 5 FEBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C)c2[nH+]cccc21 ZINC000272187382 329758535 /nfs/dbraw/zinc/75/85/35/329758535.db2.gz KDEPFPLHNPBOSD-UHFFFAOYSA-N 1 2 366.374 2.082 20 5 FEBDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273630163 329880219 /nfs/dbraw/zinc/88/02/19/329880219.db2.gz QEERDBUIIRPWQC-UHFFFAOYSA-N 1 2 363.805 2.369 20 5 FEBDLO CCc1cc(N)nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[nH+]1 ZINC000279075797 330173064 /nfs/dbraw/zinc/17/30/64/330173064.db2.gz KWSOSUQVAGIZIU-UHFFFAOYSA-N 1 2 363.399 2.269 20 5 FEBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc([N+](=O)[O-])cc1Br ZINC000367046004 330210898 /nfs/dbraw/zinc/21/08/98/330210898.db2.gz RLPAADQTUYXLFJ-MRVPVSSYSA-N 1 2 365.187 2.368 20 5 FEBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc([N+](=O)[O-])cc1Br ZINC000367046004 330210899 /nfs/dbraw/zinc/21/08/99/330210899.db2.gz RLPAADQTUYXLFJ-MRVPVSSYSA-N 1 2 365.187 2.368 20 5 FEBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3ncc([N+](=O)[O-])s3)CC2)no1 ZINC000367141354 330221718 /nfs/dbraw/zinc/22/17/18/330221718.db2.gz RUHIBRWJKDKRAA-NSHDSACASA-N 1 2 352.420 2.234 20 5 FEBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3ncc([N+](=O)[O-])s3)CC2)no1 ZINC000367141354 330221720 /nfs/dbraw/zinc/22/17/20/330221720.db2.gz RUHIBRWJKDKRAA-NSHDSACASA-N 1 2 352.420 2.234 20 5 FEBDLO O=C(C[NH2+][C@H](CCO)c1ccco1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000185096626 518198649 /nfs/dbraw/zinc/19/86/49/518198649.db2.gz MFUANIJRYYUJOZ-CYBMUJFWSA-N 1 2 353.762 2.493 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000156562046 545635602 /nfs/dbraw/zinc/63/56/02/545635602.db2.gz HOBYMHOBUZAEHF-GUYCJALGSA-N 1 2 373.413 2.322 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000156562046 545635605 /nfs/dbraw/zinc/63/56/05/545635605.db2.gz HOBYMHOBUZAEHF-GUYCJALGSA-N 1 2 373.413 2.322 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000156561911 545635951 /nfs/dbraw/zinc/63/59/51/545635951.db2.gz HOBYMHOBUZAEHF-DYVFJYSZSA-N 1 2 373.413 2.322 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000156561911 545635954 /nfs/dbraw/zinc/63/59/54/545635954.db2.gz HOBYMHOBUZAEHF-DYVFJYSZSA-N 1 2 373.413 2.322 20 5 FEBDLO Cc1nc(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000156924343 545677990 /nfs/dbraw/zinc/67/79/90/545677990.db2.gz RFHHDHWLFUYKME-NSHDSACASA-N 1 2 359.386 2.493 20 5 FEBDLO CO[C@@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000477739973 561152382 /nfs/dbraw/zinc/15/23/82/561152382.db2.gz HCFMBZCXMOZOQB-NSHDSACASA-N 1 2 363.374 2.146 20 5 FEBDLO CO[C@@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000477739973 561152383 /nfs/dbraw/zinc/15/23/83/561152383.db2.gz HCFMBZCXMOZOQB-NSHDSACASA-N 1 2 363.374 2.146 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCc1nccs1 ZINC000157915397 545798058 /nfs/dbraw/zinc/79/80/58/545798058.db2.gz SNLGPAVCEHWDMA-UHFFFAOYSA-N 1 2 350.400 2.173 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCc1nccs1 ZINC000157915397 545798064 /nfs/dbraw/zinc/79/80/64/545798064.db2.gz SNLGPAVCEHWDMA-UHFFFAOYSA-N 1 2 350.400 2.173 20 5 FEBDLO CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000158064943 545819072 /nfs/dbraw/zinc/81/90/72/545819072.db2.gz PBJVNAAHVYZSLD-SFHVURJKSA-N 1 2 355.394 2.459 20 5 FEBDLO CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000158064943 545819078 /nfs/dbraw/zinc/81/90/78/545819078.db2.gz PBJVNAAHVYZSLD-SFHVURJKSA-N 1 2 355.394 2.459 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)NCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000478150938 561160936 /nfs/dbraw/zinc/16/09/36/561160936.db2.gz GVSPODBILLDUDT-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO O=[N+]([O-])c1cc(CN2CC[NH+](Cc3ccncc3)CC2)c2c(c1)COCO2 ZINC000161174706 546107570 /nfs/dbraw/zinc/10/75/70/546107570.db2.gz YNMDTBXSJJPZNH-UHFFFAOYSA-N 1 2 370.409 2.174 20 5 FEBDLO COC(=O)[C@H](C)CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000171169273 546193844 /nfs/dbraw/zinc/19/38/44/546193844.db2.gz CZDINEKZVPRJER-GFCCVEGCSA-N 1 2 372.381 2.194 20 5 FEBDLO COc1cccc([C@H](C)N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000176230612 546421827 /nfs/dbraw/zinc/42/18/27/546421827.db2.gz RSMNMWGDVYFHLG-HNNXBMFYSA-N 1 2 359.430 2.179 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176420906 546443448 /nfs/dbraw/zinc/44/34/48/546443448.db2.gz LBPYEGYZPHFHFN-UHFFFAOYSA-N 1 2 364.427 2.469 20 5 FEBDLO Cc1nn(C)c(C(=O)NCc2[nH+]ccn2CCc2ccccc2)c1[N+](=O)[O-] ZINC000176635816 546471011 /nfs/dbraw/zinc/47/10/11/546471011.db2.gz OFXXWCGWBHZIJT-UHFFFAOYSA-N 1 2 368.397 2.006 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)c(Cl)c1 ZINC000177728189 546675727 /nfs/dbraw/zinc/67/57/27/546675727.db2.gz BFMUILXPCMEXMX-UHFFFAOYSA-N 1 2 366.786 2.374 20 5 FEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000481283698 561229625 /nfs/dbraw/zinc/22/96/25/561229625.db2.gz KEJADKWOZBLEHP-CYBMUJFWSA-N 1 2 357.370 2.453 20 5 FEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000481283698 561229626 /nfs/dbraw/zinc/22/96/26/561229626.db2.gz KEJADKWOZBLEHP-CYBMUJFWSA-N 1 2 357.370 2.453 20 5 FEBDLO CC(C)(C)NC(=O)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000481117218 561225554 /nfs/dbraw/zinc/22/55/54/561225554.db2.gz RHANQJIWXRTRDD-UHFFFAOYSA-N 1 2 350.419 2.099 20 5 FEBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000178061612 546732576 /nfs/dbraw/zinc/73/25/76/546732576.db2.gz POFBUGBXJFTBLH-UHFFFAOYSA-N 1 2 362.349 2.358 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1C ZINC000481435580 561232724 /nfs/dbraw/zinc/23/27/24/561232724.db2.gz MUEVSQULWWMCMX-LLVKDONJSA-N 1 2 352.416 2.023 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000178601110 546817840 /nfs/dbraw/zinc/81/78/40/546817840.db2.gz OCWCKYMCIGMEPH-AWEZNQCLSA-N 1 2 373.862 2.248 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000178601110 546817842 /nfs/dbraw/zinc/81/78/42/546817842.db2.gz OCWCKYMCIGMEPH-AWEZNQCLSA-N 1 2 373.862 2.248 20 5 FEBDLO CC(=O)N[C@H](C)C1CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000481615083 561237438 /nfs/dbraw/zinc/23/74/38/561237438.db2.gz XTPFLXAZPKCNHL-CYBMUJFWSA-N 1 2 362.430 2.078 20 5 FEBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000178859565 546862316 /nfs/dbraw/zinc/86/23/16/546862316.db2.gz VVJJWSXMDJBOEJ-HNNXBMFYSA-N 1 2 355.398 2.410 20 5 FEBDLO Cn1c2ccccc2[nH+]c1Cn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000179282416 546924853 /nfs/dbraw/zinc/92/48/53/546924853.db2.gz HVCRUNKNEUABRW-UHFFFAOYSA-N 1 2 363.171 2.454 20 5 FEBDLO COCCO[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000179351753 546937826 /nfs/dbraw/zinc/93/78/26/546937826.db2.gz OVKFROQWOGPJOK-OAHLLOKOSA-N 1 2 362.386 2.272 20 5 FEBDLO COCCO[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000179351753 546937828 /nfs/dbraw/zinc/93/78/28/546937828.db2.gz OVKFROQWOGPJOK-OAHLLOKOSA-N 1 2 362.386 2.272 20 5 FEBDLO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)[C@H](C)C1 ZINC000179502099 546967271 /nfs/dbraw/zinc/96/72/71/546967271.db2.gz ZLBBDJGFDHRHRC-CZUORRHYSA-N 1 2 365.430 2.167 20 5 FEBDLO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)[C@H](C)C1 ZINC000179502099 546967274 /nfs/dbraw/zinc/96/72/74/546967274.db2.gz ZLBBDJGFDHRHRC-CZUORRHYSA-N 1 2 365.430 2.167 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000181999933 547419560 /nfs/dbraw/zinc/41/95/60/547419560.db2.gz XARMNYXRFJSCCW-PBHICJAKSA-N 1 2 364.423 2.470 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000181999933 547419563 /nfs/dbraw/zinc/41/95/63/547419563.db2.gz XARMNYXRFJSCCW-PBHICJAKSA-N 1 2 364.423 2.470 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c(Cl)c1 ZINC000182243342 547460510 /nfs/dbraw/zinc/46/05/10/547460510.db2.gz IICZPDFLJWVBAD-AWEZNQCLSA-N 1 2 373.862 2.248 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c(Cl)c1 ZINC000182243342 547460513 /nfs/dbraw/zinc/46/05/13/547460513.db2.gz IICZPDFLJWVBAD-AWEZNQCLSA-N 1 2 373.862 2.248 20 5 FEBDLO CCCCC[N@H+](CC(N)=O)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183027622 547589501 /nfs/dbraw/zinc/58/95/01/547589501.db2.gz LGIWRVIVECLTID-UHFFFAOYSA-N 1 2 356.810 2.164 20 5 FEBDLO CCCCC[N@@H+](CC(N)=O)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183027622 547589505 /nfs/dbraw/zinc/58/95/05/547589505.db2.gz LGIWRVIVECLTID-UHFFFAOYSA-N 1 2 356.810 2.164 20 5 FEBDLO CCCCC[N@H+](CC(N)=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000183059613 547594411 /nfs/dbraw/zinc/59/44/11/547594411.db2.gz DDWTXVOUVZKHRX-UHFFFAOYSA-N 1 2 356.810 2.164 20 5 FEBDLO CCCCC[N@@H+](CC(N)=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000183059613 547594415 /nfs/dbraw/zinc/59/44/15/547594415.db2.gz DDWTXVOUVZKHRX-UHFFFAOYSA-N 1 2 356.810 2.164 20 5 FEBDLO Cc1c(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)cccc1[N+](=O)[O-] ZINC000485427432 561318988 /nfs/dbraw/zinc/31/89/88/561318988.db2.gz VOTVESAOEIJQBG-HNNXBMFYSA-N 1 2 373.413 2.338 20 5 FEBDLO Cc1c(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)cccc1[N+](=O)[O-] ZINC000485427432 561318989 /nfs/dbraw/zinc/31/89/89/561318989.db2.gz VOTVESAOEIJQBG-HNNXBMFYSA-N 1 2 373.413 2.338 20 5 FEBDLO C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000485594603 561323451 /nfs/dbraw/zinc/32/34/51/561323451.db2.gz VIUNYYFXSHHKMT-LBPRGKRZSA-N 1 2 373.413 2.156 20 5 FEBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCCN(c2cccc[nH+]2)CC1 ZINC000186457455 548138840 /nfs/dbraw/zinc/13/88/40/548138840.db2.gz CPXDNTNECQEIMO-UHFFFAOYSA-N 1 2 370.409 2.498 20 5 FEBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H]2C1 ZINC000194081553 548433027 /nfs/dbraw/zinc/43/30/27/548433027.db2.gz SYQZZBZGTAZQFI-BMFZPTHFSA-N 1 2 351.359 2.271 20 5 FEBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H]2C1 ZINC000194081553 548433030 /nfs/dbraw/zinc/43/30/30/548433030.db2.gz SYQZZBZGTAZQFI-BMFZPTHFSA-N 1 2 351.359 2.271 20 5 FEBDLO COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000246177289 549070019 /nfs/dbraw/zinc/07/00/19/549070019.db2.gz SUOAOQISXHDLGP-CZUORRHYSA-N 1 2 356.444 2.391 20 5 FEBDLO COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000246177289 549070021 /nfs/dbraw/zinc/07/00/21/549070021.db2.gz SUOAOQISXHDLGP-CZUORRHYSA-N 1 2 356.444 2.391 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000246402427 549125681 /nfs/dbraw/zinc/12/56/81/549125681.db2.gz BOHWGZNKTYZVFZ-NVXWUHKLSA-N 1 2 364.423 2.470 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000246402427 549125685 /nfs/dbraw/zinc/12/56/85/549125685.db2.gz BOHWGZNKTYZVFZ-NVXWUHKLSA-N 1 2 364.423 2.470 20 5 FEBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000248853265 549513540 /nfs/dbraw/zinc/51/35/40/549513540.db2.gz QLXOSSODZBHFSB-BJJXKVORSA-N 1 2 372.381 2.418 20 5 FEBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000248853265 549513543 /nfs/dbraw/zinc/51/35/43/549513543.db2.gz QLXOSSODZBHFSB-BJJXKVORSA-N 1 2 372.381 2.418 20 5 FEBDLO COCCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000255632897 549707754 /nfs/dbraw/zinc/70/77/54/549707754.db2.gz JYJPMOPLOLCSHN-HQQUCIOCSA-N 1 2 368.455 2.134 20 5 FEBDLO COCCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000255632897 549707756 /nfs/dbraw/zinc/70/77/56/549707756.db2.gz JYJPMOPLOLCSHN-HQQUCIOCSA-N 1 2 368.455 2.134 20 5 FEBDLO O=C(C[N@@H+]1CCS[C@H]2COCC[C@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000268999045 550142611 /nfs/dbraw/zinc/14/26/11/550142611.db2.gz YTAPDMLHABYWHU-OCCSQVGLSA-N 1 2 371.846 2.393 20 5 FEBDLO O=C(C[N@H+]1CCS[C@H]2COCC[C@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000268999045 550142613 /nfs/dbraw/zinc/14/26/13/550142613.db2.gz YTAPDMLHABYWHU-OCCSQVGLSA-N 1 2 371.846 2.393 20 5 FEBDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000269099552 550154759 /nfs/dbraw/zinc/15/47/59/550154759.db2.gz QOQFSHDVQOJHRG-LBPRGKRZSA-N 1 2 361.851 2.152 20 5 FEBDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000269099552 550154760 /nfs/dbraw/zinc/15/47/60/550154760.db2.gz QOQFSHDVQOJHRG-LBPRGKRZSA-N 1 2 361.851 2.152 20 5 FEBDLO COc1cc(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000492682129 561452403 /nfs/dbraw/zinc/45/24/03/561452403.db2.gz KUHWKSJIYMMRDG-HOCLYGCPSA-N 1 2 356.444 2.391 20 5 FEBDLO COc1cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000492682129 561452404 /nfs/dbraw/zinc/45/24/04/561452404.db2.gz KUHWKSJIYMMRDG-HOCLYGCPSA-N 1 2 356.444 2.391 20 5 FEBDLO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)nc2)C1 ZINC000269485851 550200988 /nfs/dbraw/zinc/20/09/88/550200988.db2.gz BVOKHJISMBVVQS-AWEZNQCLSA-N 1 2 371.397 2.088 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+](C)[C@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000269559848 550206528 /nfs/dbraw/zinc/20/65/28/550206528.db2.gz KMAFVSJVLQCEMW-QGZVFWFLSA-N 1 2 359.382 2.207 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+](C)[C@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000269559848 550206529 /nfs/dbraw/zinc/20/65/29/550206529.db2.gz KMAFVSJVLQCEMW-QGZVFWFLSA-N 1 2 359.382 2.207 20 5 FEBDLO CN(C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000493280321 561455309 /nfs/dbraw/zinc/45/53/09/561455309.db2.gz LWCUGHUTCDFVAJ-UHFFFAOYSA-N 1 2 361.851 2.104 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000271399616 550372272 /nfs/dbraw/zinc/37/22/72/550372272.db2.gz NKMLAYLIASEJFI-JTQLQIEISA-N 1 2 368.440 2.146 20 5 FEBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000272147535 550425733 /nfs/dbraw/zinc/42/57/33/550425733.db2.gz BUJGYCFTRFHLIJ-UHFFFAOYSA-N 1 2 368.390 2.334 20 5 FEBDLO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272606214 550460433 /nfs/dbraw/zinc/46/04/33/550460433.db2.gz VZBMNYHYXMVAKD-VIFPVBQESA-N 1 2 358.383 2.342 20 5 FEBDLO CCOc1cc(C[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)ccc1[N+](=O)[O-] ZINC000276910265 550609886 /nfs/dbraw/zinc/60/98/86/550609886.db2.gz NDCWMOKYEZSJET-GFCCVEGCSA-N 1 2 356.444 2.391 20 5 FEBDLO CCOc1cc(C[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)ccc1[N+](=O)[O-] ZINC000276910265 550609887 /nfs/dbraw/zinc/60/98/87/550609887.db2.gz NDCWMOKYEZSJET-GFCCVEGCSA-N 1 2 356.444 2.391 20 5 FEBDLO CCOc1cc(C[NH+]2CCN(Cc3noc(C)n3)CC2)ccc1[N+](=O)[O-] ZINC000276912017 550610306 /nfs/dbraw/zinc/61/03/06/550610306.db2.gz NMRBTSDAGBXVSV-UHFFFAOYSA-N 1 2 361.402 2.003 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000277014355 550622192 /nfs/dbraw/zinc/62/21/92/550622192.db2.gz YQRVNICYYUIQNT-LLVKDONJSA-N 1 2 372.381 2.089 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000277014355 550622194 /nfs/dbraw/zinc/62/21/94/550622194.db2.gz YQRVNICYYUIQNT-LLVKDONJSA-N 1 2 372.381 2.089 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277440336 550670687 /nfs/dbraw/zinc/67/06/87/550670687.db2.gz NEPFYASVDBROAL-AWEZNQCLSA-N 1 2 353.444 2.427 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277440336 550670688 /nfs/dbraw/zinc/67/06/88/550670688.db2.gz NEPFYASVDBROAL-AWEZNQCLSA-N 1 2 353.444 2.427 20 5 FEBDLO CCN(CC)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c[nH+]1 ZINC000279263792 550871260 /nfs/dbraw/zinc/87/12/60/550871260.db2.gz UIBOGLVPOBGBKL-UHFFFAOYSA-N 1 2 361.377 2.487 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279703740 550918809 /nfs/dbraw/zinc/91/88/09/550918809.db2.gz HETYZJVNFNLEKS-ZIAGYGMSSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279703740 550918811 /nfs/dbraw/zinc/91/88/11/550918811.db2.gz HETYZJVNFNLEKS-ZIAGYGMSSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@H]([C@H](C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000280409072 550990695 /nfs/dbraw/zinc/99/06/95/550990695.db2.gz HEWATMWLCJUICT-WDEREUQCSA-N 1 2 373.812 2.155 20 5 FEBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CCO2 ZINC000280430647 550992770 /nfs/dbraw/zinc/99/27/70/550992770.db2.gz MKTMDLUBTRODKF-SJCJKPOMSA-N 1 2 360.370 2.025 20 5 FEBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CCO2 ZINC000280430647 550992771 /nfs/dbraw/zinc/99/27/71/550992771.db2.gz MKTMDLUBTRODKF-SJCJKPOMSA-N 1 2 360.370 2.025 20 5 FEBDLO CS(=O)(=O)c1cccc(NCc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000497531773 561503308 /nfs/dbraw/zinc/50/33/08/561503308.db2.gz BKLFMTKBVGEBHS-UHFFFAOYSA-N 1 2 350.400 2.143 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285622528 551784389 /nfs/dbraw/zinc/78/43/89/551784389.db2.gz NJNYVVLYPUAXPS-UHFFFAOYSA-N 1 2 355.398 2.365 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285622528 551784390 /nfs/dbraw/zinc/78/43/90/551784390.db2.gz NJNYVVLYPUAXPS-UHFFFAOYSA-N 1 2 355.398 2.365 20 5 FEBDLO CCc1n[nH]c(C(=O)N2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)c1[N+](=O)[O-] ZINC000286132313 551852464 /nfs/dbraw/zinc/85/24/64/551852464.db2.gz MSRGTSBIMPZHHE-CQSZACIVSA-N 1 2 372.429 2.470 20 5 FEBDLO CCc1[nH]nc(C(=O)N2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)c1[N+](=O)[O-] ZINC000286132313 551852466 /nfs/dbraw/zinc/85/24/66/551852466.db2.gz MSRGTSBIMPZHHE-CQSZACIVSA-N 1 2 372.429 2.470 20 5 FEBDLO O=C1NC(=O)N2CC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@H]12 ZINC000499234878 561546396 /nfs/dbraw/zinc/54/63/96/561546396.db2.gz OPFGZDWGRVZJRG-CQSZACIVSA-N 1 2 372.406 2.059 20 5 FEBDLO O=C1NC(=O)N2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@H]12 ZINC000499234878 561546397 /nfs/dbraw/zinc/54/63/97/561546397.db2.gz OPFGZDWGRVZJRG-CQSZACIVSA-N 1 2 372.406 2.059 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000287172259 551972624 /nfs/dbraw/zinc/97/26/24/551972624.db2.gz HAMPPHUGGOQLGA-CHWSQXEVSA-N 1 2 365.455 2.252 20 5 FEBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCC[C@H](O)C2)c1 ZINC000289548889 552338641 /nfs/dbraw/zinc/33/86/41/552338641.db2.gz DCUBYJISRMAQKC-LBPRGKRZSA-N 1 2 362.167 2.156 20 5 FEBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000289548889 552338644 /nfs/dbraw/zinc/33/86/44/552338644.db2.gz DCUBYJISRMAQKC-LBPRGKRZSA-N 1 2 362.167 2.156 20 5 FEBDLO CC(C)OCc1nc([C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000289773441 552376372 /nfs/dbraw/zinc/37/63/72/552376372.db2.gz GQPXLBGGZNYFMG-FZMZJTMJSA-N 1 2 350.375 2.287 20 5 FEBDLO CC(C)OCc1nc([C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000289773436 552376519 /nfs/dbraw/zinc/37/65/19/552376519.db2.gz GQPXLBGGZNYFMG-BXUZGUMPSA-N 1 2 350.375 2.287 20 5 FEBDLO COc1cccc(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)c1[N+](=O)[O-] ZINC000500678110 561579428 /nfs/dbraw/zinc/57/94/28/561579428.db2.gz KMVJPHPTGYYNKX-UHFFFAOYSA-N 1 2 356.382 2.269 20 5 FEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000290817021 552543384 /nfs/dbraw/zinc/54/33/84/552543384.db2.gz FQJIQFRHICLJSB-IUODEOHRSA-N 1 2 358.398 2.011 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC(F)(F)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000291602050 552642005 /nfs/dbraw/zinc/64/20/05/552642005.db2.gz BWWJPDBTLDVYLW-RYUDHWBXSA-N 1 2 357.357 2.180 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC(F)(F)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000291602050 552642007 /nfs/dbraw/zinc/64/20/07/552642007.db2.gz BWWJPDBTLDVYLW-RYUDHWBXSA-N 1 2 357.357 2.180 20 5 FEBDLO COc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000296168520 553116174 /nfs/dbraw/zinc/11/61/74/553116174.db2.gz YRRAZZJTDCMFBM-UHFFFAOYSA-N 1 2 373.369 2.229 20 5 FEBDLO Cc1cc(F)c(NC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000296781685 553210857 /nfs/dbraw/zinc/21/08/57/553210857.db2.gz PPEWUWGGUJRQIG-BLLLJJGKSA-N 1 2 366.393 2.227 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000299706227 553604339 /nfs/dbraw/zinc/60/43/39/553604339.db2.gz QYRIJAWTNGRJIS-AWEZNQCLSA-N 1 2 370.409 2.453 20 5 FEBDLO COc1cc(F)c([N+](=O)[O-])c(NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000301328336 553642476 /nfs/dbraw/zinc/64/24/76/553642476.db2.gz CMWOSOBUBHFTHJ-MRXNPFEDSA-N 1 2 371.434 2.362 20 5 FEBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)CC2)c1 ZINC000505501823 561672255 /nfs/dbraw/zinc/67/22/55/561672255.db2.gz UEENINUAYOCOFM-AWEZNQCLSA-N 1 2 372.425 2.461 20 5 FEBDLO COc1ccccc1[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC[NH2+]1 ZINC000505578254 561674317 /nfs/dbraw/zinc/67/43/17/561674317.db2.gz FWNUQZUGOGPPHQ-OAHLLOKOSA-N 1 2 371.393 2.399 20 5 FEBDLO C[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000505590204 561674723 /nfs/dbraw/zinc/67/47/23/561674723.db2.gz LGFBDEOJLOBIFW-CYBMUJFWSA-N 1 2 355.394 2.477 20 5 FEBDLO C[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000505590204 561674724 /nfs/dbraw/zinc/67/47/24/561674724.db2.gz LGFBDEOJLOBIFW-CYBMUJFWSA-N 1 2 355.394 2.477 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000507918229 561745816 /nfs/dbraw/zinc/74/58/16/561745816.db2.gz DRTUCDHYZPQEDR-ZJUUUORDSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000507918229 561745817 /nfs/dbraw/zinc/74/58/17/561745817.db2.gz DRTUCDHYZPQEDR-ZJUUUORDSA-N 1 2 361.851 2.270 20 5 FEBDLO COc1ccc(C[N@@H+]2CCN(C(=O)N(C)C)CC2(C)C)cc1[N+](=O)[O-] ZINC000330709317 554161396 /nfs/dbraw/zinc/16/13/96/554161396.db2.gz WFBQYUXJSKEFFE-UHFFFAOYSA-N 1 2 350.419 2.181 20 5 FEBDLO COc1ccc(C[N@H+]2CCN(C(=O)N(C)C)CC2(C)C)cc1[N+](=O)[O-] ZINC000330709317 554161398 /nfs/dbraw/zinc/16/13/98/554161398.db2.gz WFBQYUXJSKEFFE-UHFFFAOYSA-N 1 2 350.419 2.181 20 5 FEBDLO O=C1[C@@H]([N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000331702579 554311371 /nfs/dbraw/zinc/31/13/71/554311371.db2.gz WSYXHLGPWJMZJM-ZFWWWQNUSA-N 1 2 373.331 2.089 20 5 FEBDLO O=C1[C@@H]([N@H+]2CCC[C@@](O)(C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000331702579 554311375 /nfs/dbraw/zinc/31/13/75/554311375.db2.gz WSYXHLGPWJMZJM-ZFWWWQNUSA-N 1 2 373.331 2.089 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000509819679 561814988 /nfs/dbraw/zinc/81/49/88/561814988.db2.gz MGZFWKOXGKDHDP-UHFFFAOYSA-N 1 2 371.422 2.262 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000332538168 554467161 /nfs/dbraw/zinc/46/71/61/554467161.db2.gz ZCTAHDWBMNDQKP-LSDHHAIUSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000332538168 554467162 /nfs/dbraw/zinc/46/71/62/554467162.db2.gz ZCTAHDWBMNDQKP-LSDHHAIUSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)c1 ZINC000332555492 554471124 /nfs/dbraw/zinc/47/11/24/554471124.db2.gz SMGXILMRAIPXDQ-UKRRQHHQSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)c1 ZINC000332555492 554471128 /nfs/dbraw/zinc/47/11/28/554471128.db2.gz SMGXILMRAIPXDQ-UKRRQHHQSA-N 1 2 367.471 2.459 20 5 FEBDLO CCCC(=O)N1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000362369905 554967094 /nfs/dbraw/zinc/96/70/94/554967094.db2.gz VHROIWDBEKNQHU-UHFFFAOYSA-N 1 2 365.430 2.446 20 5 FEBDLO CCCC(=O)N1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000362369905 554967097 /nfs/dbraw/zinc/96/70/97/554967097.db2.gz VHROIWDBEKNQHU-UHFFFAOYSA-N 1 2 365.430 2.446 20 5 FEBDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000362624163 554976510 /nfs/dbraw/zinc/97/65/10/554976510.db2.gz VLEDFHFQLPUUQG-IRXDYDNUSA-N 1 2 360.414 2.052 20 5 FEBDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000362624163 554976511 /nfs/dbraw/zinc/97/65/11/554976511.db2.gz VLEDFHFQLPUUQG-IRXDYDNUSA-N 1 2 360.414 2.052 20 5 FEBDLO Cc1c[nH+]cn1C1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000364400088 555306405 /nfs/dbraw/zinc/30/64/05/555306405.db2.gz NIJGRMPNVPMYPA-UHFFFAOYSA-N 1 2 354.370 2.453 20 5 FEBDLO CCC(CC)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OC ZINC000512490166 561907425 /nfs/dbraw/zinc/90/74/25/561907425.db2.gz LADLIZYKRBBBGC-UHFFFAOYSA-N 1 2 360.370 2.242 20 5 FEBDLO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000364689529 555375490 /nfs/dbraw/zinc/37/54/90/555375490.db2.gz XYVBOMRFLHWXNX-CABCVRRESA-N 1 2 355.354 2.175 20 5 FEBDLO Cc1cccc(N2CCC(NC(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000364790476 555403728 /nfs/dbraw/zinc/40/37/28/555403728.db2.gz OGBRGJLGZYGICO-UHFFFAOYSA-N 1 2 356.382 2.403 20 5 FEBDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000366098578 555751099 /nfs/dbraw/zinc/75/10/99/555751099.db2.gz VSJXCDAFBKHFSR-KRWDZBQOSA-N 1 2 369.425 2.363 20 5 FEBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000366098578 555751100 /nfs/dbraw/zinc/75/11/00/555751100.db2.gz VSJXCDAFBKHFSR-KRWDZBQOSA-N 1 2 369.425 2.363 20 5 FEBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000366186452 555774996 /nfs/dbraw/zinc/77/49/96/555774996.db2.gz NZOXSPYTCYDVTK-UHFFFAOYSA-N 1 2 355.329 2.432 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000366198533 555779191 /nfs/dbraw/zinc/77/91/91/555779191.db2.gz VGVCRUPFOPCNIP-UHFFFAOYSA-N 1 2 358.373 2.477 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000366198533 555779193 /nfs/dbraw/zinc/77/91/93/555779193.db2.gz VGVCRUPFOPCNIP-UHFFFAOYSA-N 1 2 358.373 2.477 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000366891846 555961529 /nfs/dbraw/zinc/96/15/29/555961529.db2.gz XOAZJIIWIFLNHK-OLZOCXBDSA-N 1 2 370.413 2.174 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000366891846 555961530 /nfs/dbraw/zinc/96/15/30/555961530.db2.gz XOAZJIIWIFLNHK-OLZOCXBDSA-N 1 2 370.413 2.174 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@](F)(c3cccc(Cl)c3)C2)c1 ZINC000366981816 555988302 /nfs/dbraw/zinc/98/83/02/555988302.db2.gz LFKYUGOLHYQRAL-HZPDHXFCSA-N 1 2 368.796 2.376 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@](F)(c3cccc(Cl)c3)C2)c1 ZINC000366981816 555988304 /nfs/dbraw/zinc/98/83/04/555988304.db2.gz LFKYUGOLHYQRAL-HZPDHXFCSA-N 1 2 368.796 2.376 20 5 FEBDLO Cc1cc(N[C@@H]2CCC(=O)N[C@@H]2C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000367419621 556043995 /nfs/dbraw/zinc/04/39/95/556043995.db2.gz NOUYATBILOZNKU-CRAIPNDOSA-N 1 2 367.409 2.251 20 5 FEBDLO COc1cc(OCC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000368467525 556318065 /nfs/dbraw/zinc/31/80/65/556318065.db2.gz WSGSDTPDUKQTDR-UHFFFAOYSA-N 1 2 374.397 2.174 20 5 FEBDLO O=C(NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000368858958 556431256 /nfs/dbraw/zinc/43/12/56/556431256.db2.gz KNNWWVPZXWMCOJ-IRXDYDNUSA-N 1 2 370.409 2.087 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000371498282 557201234 /nfs/dbraw/zinc/20/12/34/557201234.db2.gz UOCJUBVPULEBTR-SNVBAGLBSA-N 1 2 366.324 2.446 20 5 FEBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000518959236 562121858 /nfs/dbraw/zinc/12/18/58/562121858.db2.gz IUMVKANUULKUDO-OAHLLOKOSA-N 1 2 351.378 2.061 20 5 FEBDLO COc1ccc(OCC[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)c([N+](=O)[O-])c1 ZINC000372612200 557521021 /nfs/dbraw/zinc/52/10/21/557521021.db2.gz MCVVZKFGKYVULC-HOCLYGCPSA-N 1 2 364.398 2.052 20 5 FEBDLO COc1ccc(OCC[N@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)c([N+](=O)[O-])c1 ZINC000372612200 557521025 /nfs/dbraw/zinc/52/10/25/557521025.db2.gz MCVVZKFGKYVULC-HOCLYGCPSA-N 1 2 364.398 2.052 20 5 FEBDLO COc1ccc(OCC[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)c([N+](=O)[O-])c1 ZINC000372612064 557521112 /nfs/dbraw/zinc/52/11/12/557521112.db2.gz MCVVZKFGKYVULC-GOEBONIOSA-N 1 2 364.398 2.052 20 5 FEBDLO COc1ccc(OCC[N@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)c([N+](=O)[O-])c1 ZINC000372612064 557521114 /nfs/dbraw/zinc/52/11/14/557521114.db2.gz MCVVZKFGKYVULC-GOEBONIOSA-N 1 2 364.398 2.052 20 5 FEBDLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)c1cccs1 ZINC000373586110 557723674 /nfs/dbraw/zinc/72/36/74/557723674.db2.gz QHFOLZLJBZFWQS-CHWSQXEVSA-N 1 2 363.443 2.367 20 5 FEBDLO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)c1cccs1 ZINC000373586110 557723676 /nfs/dbraw/zinc/72/36/76/557723676.db2.gz QHFOLZLJBZFWQS-CHWSQXEVSA-N 1 2 363.443 2.367 20 5 FEBDLO COC(=O)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H](OC)C1 ZINC000521052048 562168590 /nfs/dbraw/zinc/16/85/90/562168590.db2.gz KMTRVMKKOXSINY-USXIJHARSA-N 1 2 350.415 2.474 20 5 FEBDLO CN(C(=O)C[N@@H+]1CC[C@@H](O)c2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000374805134 557934282 /nfs/dbraw/zinc/93/42/82/557934282.db2.gz HAJNTVQLFQREPT-GOSISDBHSA-N 1 2 355.394 2.497 20 5 FEBDLO CN(C(=O)C[N@H+]1CC[C@@H](O)c2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000374805134 557934284 /nfs/dbraw/zinc/93/42/84/557934284.db2.gz HAJNTVQLFQREPT-GOSISDBHSA-N 1 2 355.394 2.497 20 5 FEBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000374862755 557942506 /nfs/dbraw/zinc/94/25/06/557942506.db2.gz MBSBBPPXDVLINO-AWEZNQCLSA-N 1 2 361.789 2.012 20 5 FEBDLO CCOc1cc(C[N@@H+]2CCc3c(ncn(CC)c3=O)C2)ccc1[N+](=O)[O-] ZINC000375724231 558073031 /nfs/dbraw/zinc/07/30/31/558073031.db2.gz UWVUGUYSNBLFPB-UHFFFAOYSA-N 1 2 358.398 2.128 20 5 FEBDLO CCOc1cc(C[N@H+]2CCc3c(ncn(CC)c3=O)C2)ccc1[N+](=O)[O-] ZINC000375724231 558073032 /nfs/dbraw/zinc/07/30/32/558073032.db2.gz UWVUGUYSNBLFPB-UHFFFAOYSA-N 1 2 358.398 2.128 20 5 FEBDLO C[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000521772184 562183274 /nfs/dbraw/zinc/18/32/74/562183274.db2.gz FXZVEIGKDIBCBV-RYUDHWBXSA-N 1 2 359.423 2.275 20 5 FEBDLO C[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000521772184 562183275 /nfs/dbraw/zinc/18/32/75/562183275.db2.gz FXZVEIGKDIBCBV-RYUDHWBXSA-N 1 2 359.423 2.275 20 5 FEBDLO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000378287350 558520577 /nfs/dbraw/zinc/52/05/77/558520577.db2.gz DCSSZDLYKIAYAZ-GFCCVEGCSA-N 1 2 366.381 2.721 20 5 FEBDLO Cc1cc(N2CCN(C3CC3)C(=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000409642867 558709958 /nfs/dbraw/zinc/70/99/58/558709958.db2.gz ANKADOCRVDNVBQ-UHFFFAOYSA-N 1 2 353.382 2.171 20 5 FEBDLO CCCCn1nnnc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000524766412 562234248 /nfs/dbraw/zinc/23/42/48/562234248.db2.gz JFULNZLBBGZFNF-UHFFFAOYSA-N 1 2 360.418 2.425 20 5 FEBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000411203911 558853031 /nfs/dbraw/zinc/85/30/31/558853031.db2.gz YRTKRDCKMZUGRB-RBUKOAKNSA-N 1 2 366.421 2.438 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000411579192 558921283 /nfs/dbraw/zinc/92/12/83/558921283.db2.gz CZKJBGQWHCQYQE-DGCLKSJQSA-N 1 2 357.370 2.169 20 5 FEBDLO Cn1cc(C[NH+]2CCN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)CC2)cn1 ZINC000413134521 559081367 /nfs/dbraw/zinc/08/13/67/559081367.db2.gz WHCMXQZICZNMRF-UHFFFAOYSA-N 1 2 370.335 2.064 20 5 FEBDLO CS(=O)(=O)N[C@@H]1CCC[C@H]1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413184287 559086349 /nfs/dbraw/zinc/08/63/49/559086349.db2.gz JKXVNOUDKCBHLZ-SWLSCSKDSA-N 1 2 364.427 2.273 20 5 FEBDLO Cc1cc2[nH+]cn(C[C@@H](O)Cn3c(C)c([N+](=O)[O-])ccc3=O)c2cc1C ZINC000414152491 559151010 /nfs/dbraw/zinc/15/10/10/559151010.db2.gz XVCRQTHRXPBZDP-CQSZACIVSA-N 1 2 356.382 2.093 20 5 FEBDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1F ZINC000421023434 559520183 /nfs/dbraw/zinc/52/01/83/559520183.db2.gz PUNDAYOCNPARDB-UHFFFAOYSA-N 1 2 367.402 2.144 20 5 FEBDLO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1F ZINC000421023434 559520184 /nfs/dbraw/zinc/52/01/84/559520184.db2.gz PUNDAYOCNPARDB-UHFFFAOYSA-N 1 2 367.402 2.144 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H](O)CC12CCC2 ZINC000422027290 559561486 /nfs/dbraw/zinc/56/14/86/559561486.db2.gz UYRKCVYOJBXQEI-CQSZACIVSA-N 1 2 356.382 2.300 20 5 FEBDLO CC[C@H](NC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000426020393 559727796 /nfs/dbraw/zinc/72/77/96/559727796.db2.gz LAHKIYTYNSSIKN-IRXDYDNUSA-N 1 2 364.446 2.456 20 5 FEBDLO CC[C@H](NC(=O)NCC[N@H+]1CCO[C@@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000426020393 559727797 /nfs/dbraw/zinc/72/77/97/559727797.db2.gz LAHKIYTYNSSIKN-IRXDYDNUSA-N 1 2 364.446 2.456 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCOc3c(F)cccc3C2)c1 ZINC000434612941 559903569 /nfs/dbraw/zinc/90/35/69/559903569.db2.gz YEECTPHAUGEKRZ-HNNXBMFYSA-N 1 2 362.357 2.368 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCOc3c(F)cccc3C2)c1 ZINC000434612941 559903570 /nfs/dbraw/zinc/90/35/70/559903570.db2.gz YEECTPHAUGEKRZ-HNNXBMFYSA-N 1 2 362.357 2.368 20 5 FEBDLO CC[NH+](CC)CCOC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000436961755 559957664 /nfs/dbraw/zinc/95/76/64/559957664.db2.gz CIDDZWQOPYQDOG-UHFFFAOYSA-N 1 2 365.430 2.263 20 5 FEBDLO Cc1cc(N2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)nc[nH+]1 ZINC000439662554 559998572 /nfs/dbraw/zinc/99/85/72/559998572.db2.gz QLBPHVHWFHJVNS-UHFFFAOYSA-N 1 2 353.386 2.286 20 5 FEBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000447659044 560166157 /nfs/dbraw/zinc/16/61/57/560166157.db2.gz ADEHHAZUYFEGOK-UONOGXRCSA-N 1 2 367.471 2.255 20 5 FEBDLO CCOC(=O)C[C@@H](C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447816847 560169932 /nfs/dbraw/zinc/16/99/32/560169932.db2.gz MWZDRHPAIQHTRM-CQSZACIVSA-N 1 2 365.430 2.428 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N(C[C@@H]1CCOC1)C1CC1 ZINC000448796876 560199893 /nfs/dbraw/zinc/19/98/93/560199893.db2.gz SERVLCBTMGTQPC-ZDUSSCGKSA-N 1 2 356.382 2.422 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H]2COCC[C@@H]21 ZINC000450142136 560251950 /nfs/dbraw/zinc/25/19/50/560251950.db2.gz BCCQYLOUKQUSGH-CABCVRRESA-N 1 2 356.382 2.422 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCS[C@@H]2COCC[C@@H]21 ZINC000450160627 560252600 /nfs/dbraw/zinc/25/26/00/560252600.db2.gz VYYBPGOJWVAJCJ-GOEBONIOSA-N 1 2 374.422 2.127 20 5 FEBDLO CCn1c(C)nc([N+](=O)[O-])c1N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000450943368 560279479 /nfs/dbraw/zinc/27/94/79/560279479.db2.gz SKRIKBBVHQFGPY-UHFFFAOYSA-N 1 2 363.418 2.051 20 5 FEBDLO CCc1nc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)no1 ZINC000451667010 560320837 /nfs/dbraw/zinc/32/08/37/560320837.db2.gz PWCVLTSGSYGTHO-UHFFFAOYSA-N 1 2 370.369 2.391 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1(C)C ZINC000451685349 560321789 /nfs/dbraw/zinc/32/17/89/560321789.db2.gz BUFVNBBGORULGL-NSHDSACASA-N 1 2 356.429 2.162 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451903239 560335866 /nfs/dbraw/zinc/33/58/66/560335866.db2.gz IXWCRBFJFDSIIX-GBIKHYSHSA-N 1 2 361.320 2.167 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451903239 560335867 /nfs/dbraw/zinc/33/58/67/560335867.db2.gz IXWCRBFJFDSIIX-GBIKHYSHSA-N 1 2 361.320 2.167 20 5 FEBDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000451973515 560341514 /nfs/dbraw/zinc/34/15/14/560341514.db2.gz QQZLLENVTSNFEF-ZDUSSCGKSA-N 1 2 355.460 2.316 20 5 FEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000455460549 560483053 /nfs/dbraw/zinc/48/30/53/560483053.db2.gz UTVBSQVUMHDLDL-AWEZNQCLSA-N 1 2 372.429 2.404 20 5 FEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456202787 560510910 /nfs/dbraw/zinc/51/09/10/560510910.db2.gz DHVVWCGUCLYGHR-AEGPPILISA-N 1 2 365.455 2.055 20 5 FEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456202787 560510911 /nfs/dbraw/zinc/51/09/11/560510911.db2.gz DHVVWCGUCLYGHR-AEGPPILISA-N 1 2 365.455 2.055 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@]2(CCOC2)C1 ZINC000456735315 560531290 /nfs/dbraw/zinc/53/12/90/560531290.db2.gz SCKRHAIJAOTBAH-GOSISDBHSA-N 1 2 356.382 2.423 20 5 FEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000458710097 560642517 /nfs/dbraw/zinc/64/25/17/560642517.db2.gz XFFAESNVAOXPLP-JTQLQIEISA-N 1 2 357.374 2.248 20 5 FEBDLO CC(C)Cn1cc[nH+]c1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000465624706 560870097 /nfs/dbraw/zinc/87/00/97/560870097.db2.gz FAOKRENWLUMOIU-UHFFFAOYSA-N 1 2 360.418 2.359 20 5 FEBDLO COc1ccc(CNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000468080277 560922238 /nfs/dbraw/zinc/92/22/38/560922238.db2.gz POHZKPHRWCCILC-MRXNPFEDSA-N 1 2 355.394 2.494 20 5 FEBDLO COc1ccc(CNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000468080277 560922239 /nfs/dbraw/zinc/92/22/39/560922239.db2.gz POHZKPHRWCCILC-MRXNPFEDSA-N 1 2 355.394 2.494 20 5 FEBDLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470272723 560977827 /nfs/dbraw/zinc/97/78/27/560977827.db2.gz BRYIBBVODHMDFA-UHFFFAOYSA-N 1 2 365.349 2.079 20 5 FEBDLO CC[C@@H]1C[N@H+](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000470439912 560981849 /nfs/dbraw/zinc/98/18/49/560981849.db2.gz YXLHNSFTYIQBAK-CQSZACIVSA-N 1 2 367.421 2.239 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000470439912 560981850 /nfs/dbraw/zinc/98/18/50/560981850.db2.gz YXLHNSFTYIQBAK-CQSZACIVSA-N 1 2 367.421 2.239 20 5 FEBDLO CC[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1[nH]cc[nH+]1 ZINC000470703954 560987793 /nfs/dbraw/zinc/98/77/93/560987793.db2.gz OVLZTJYTTYFVJD-LBPRGKRZSA-N 1 2 373.369 2.274 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1c2ccccc2C[C@H]1O ZINC000472352901 561025006 /nfs/dbraw/zinc/02/50/06/561025006.db2.gz FTMGLNFRQQSYSJ-UXHICEINSA-N 1 2 369.421 2.497 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc3c1OCCO3)CCC2 ZINC000533100685 562498434 /nfs/dbraw/zinc/49/84/34/562498434.db2.gz IUWJECZUWQNMKZ-GFCCVEGCSA-N 1 2 372.381 2.178 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(N4CCCC4)nc3)CC2)cn1 ZINC000534336718 562532160 /nfs/dbraw/zinc/53/21/60/562532160.db2.gz NGVUXDYSQQNFSK-UHFFFAOYSA-N 1 2 368.441 2.307 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000534531729 562536219 /nfs/dbraw/zinc/53/62/19/562536219.db2.gz XUOQCHKHVYCZFO-OAHLLOKOSA-N 1 2 361.423 2.368 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000534531729 562536220 /nfs/dbraw/zinc/53/62/20/562536220.db2.gz XUOQCHKHVYCZFO-OAHLLOKOSA-N 1 2 361.423 2.368 20 5 FEBDLO O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCN(c2cccc[nH+]2)CC1 ZINC000536509582 562577410 /nfs/dbraw/zinc/57/74/10/562577410.db2.gz WSDBIWLHLUKQIF-UHFFFAOYSA-N 1 2 351.366 2.434 20 5 FEBDLO C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000737515460 600498310 /nfs/dbraw/zinc/49/83/10/600498310.db2.gz WPEJEDOWQPSANJ-SJDLMVEWSA-N 1 2 374.441 2.273 20 5 FEBDLO C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000737515460 600498313 /nfs/dbraw/zinc/49/83/13/600498313.db2.gz WPEJEDOWQPSANJ-SJDLMVEWSA-N 1 2 374.441 2.273 20 5 FEBDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809829942 674513997 /nfs/dbraw/zinc/51/39/97/674513997.db2.gz OUXGMNFVWKLQOG-IUCAKERBSA-N 1 2 365.814 2.100 20 5 FEBDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809829942 674514002 /nfs/dbraw/zinc/51/40/02/674514002.db2.gz OUXGMNFVWKLQOG-IUCAKERBSA-N 1 2 365.814 2.100 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000559960935 674561878 /nfs/dbraw/zinc/56/18/78/674561878.db2.gz PNDNJWUJEJOPBN-UHFFFAOYSA-N 1 2 365.411 2.466 20 5 FEBDLO C[C@H](CC[S@@](C)=O)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000560545969 674598572 /nfs/dbraw/zinc/59/85/72/674598572.db2.gz RJXFYHXTYCIZGP-MHGHZUBYSA-N 1 2 350.444 2.164 20 5 FEBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 ZINC000101568702 670768230 /nfs/dbraw/zinc/76/82/30/670768230.db2.gz ARQYBWBKJVMUDQ-LBPRGKRZSA-N 1 2 373.818 2.422 20 5 FEBDLO C[C@@H]1C[NH+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000174861135 672364196 /nfs/dbraw/zinc/36/41/96/672364196.db2.gz ZNHPOKSFFHKAOP-CHWSQXEVSA-N 1 2 353.423 2.121 20 5 FEBDLO CC(C)(C)OC(=O)NCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000177410464 672382489 /nfs/dbraw/zinc/38/24/89/672382489.db2.gz AVEGJPPWGBGRDN-UHFFFAOYSA-N 1 2 350.419 2.242 20 5 FEBDLO O=C(C[NH+]1CCC(C2OCCO2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000726788855 673139718 /nfs/dbraw/zinc/13/97/18/673139718.db2.gz AODGSVZVTQLMCX-UHFFFAOYSA-N 1 2 369.805 2.272 20 5 FEBDLO Cc1nnc(C[N@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)s1 ZINC000595884070 673334271 /nfs/dbraw/zinc/33/42/71/673334271.db2.gz CGFXWBWCSVDZFN-UHFFFAOYSA-N 1 2 363.399 2.185 20 5 FEBDLO Cc1nnc(C[N@@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)s1 ZINC000595884070 673334275 /nfs/dbraw/zinc/33/42/75/673334275.db2.gz CGFXWBWCSVDZFN-UHFFFAOYSA-N 1 2 363.399 2.185 20 5 FEBDLO COc1ccc(C[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000732200235 673357268 /nfs/dbraw/zinc/35/72/68/673357268.db2.gz YIMJQAGVVYFVGS-NSHDSACASA-N 1 2 361.320 2.198 20 5 FEBDLO COc1ccc(C[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000732200235 673357285 /nfs/dbraw/zinc/35/72/85/673357285.db2.gz YIMJQAGVVYFVGS-NSHDSACASA-N 1 2 361.320 2.198 20 5 FEBDLO C[C@@H]1C[N@H+](CCNc2ncc(Br)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596428052 673384561 /nfs/dbraw/zinc/38/45/61/673384561.db2.gz GSJWKXRFUCUHGD-VHSXEESVSA-N 1 2 359.224 2.273 20 5 FEBDLO C[C@@H]1C[N@@H+](CCNc2ncc(Br)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596428052 673384564 /nfs/dbraw/zinc/38/45/64/673384564.db2.gz GSJWKXRFUCUHGD-VHSXEESVSA-N 1 2 359.224 2.273 20 5 FEBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597710869 673501414 /nfs/dbraw/zinc/50/14/14/673501414.db2.gz XPDRTIDXYAFMMW-OAHLLOKOSA-N 1 2 365.455 2.010 20 5 FEBDLO C[C@@H]1C[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)CO1 ZINC000597995369 673528071 /nfs/dbraw/zinc/52/80/71/673528071.db2.gz FMVOPAHGWBEZKS-NWDGAFQWSA-N 1 2 355.822 2.016 20 5 FEBDLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)CO1 ZINC000597995369 673528074 /nfs/dbraw/zinc/52/80/74/673528074.db2.gz FMVOPAHGWBEZKS-NWDGAFQWSA-N 1 2 355.822 2.016 20 5 FEBDLO C[C@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000598000187 673528662 /nfs/dbraw/zinc/52/86/62/673528662.db2.gz YCTKRAMQLYMXKS-UPJWGTAASA-N 1 2 353.394 2.063 20 5 FEBDLO C[C@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000598000187 673528665 /nfs/dbraw/zinc/52/86/65/673528665.db2.gz YCTKRAMQLYMXKS-UPJWGTAASA-N 1 2 353.394 2.063 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)c(C)c1[N+](=O)[O-] ZINC000598603735 673588505 /nfs/dbraw/zinc/58/85/05/673588505.db2.gz ZMHVXWBISVEFLE-UHFFFAOYSA-N 1 2 364.427 2.434 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC(C)(C)CC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000598650026 673594190 /nfs/dbraw/zinc/59/41/90/673594190.db2.gz XIHAWODTWSNETB-GFCCVEGCSA-N 1 2 351.403 2.025 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC(C)(C)CC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000598650026 673594191 /nfs/dbraw/zinc/59/41/91/673594191.db2.gz XIHAWODTWSNETB-GFCCVEGCSA-N 1 2 351.403 2.025 20 5 FEBDLO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1SC ZINC000598948605 673624460 /nfs/dbraw/zinc/62/44/60/673624460.db2.gz RQBGRLCMAIPGAS-SNVBAGLBSA-N 1 2 362.411 2.267 20 5 FEBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000598950317 673624825 /nfs/dbraw/zinc/62/48/25/673624825.db2.gz QLQLGOZLBPCZMK-SECBINFHSA-N 1 2 365.187 2.299 20 5 FEBDLO Cc1nnc([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000545350123 673761753 /nfs/dbraw/zinc/76/17/53/673761753.db2.gz RAXOGLLTJOAWEW-VIFPVBQESA-N 1 2 358.383 2.431 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987725 673914803 /nfs/dbraw/zinc/91/48/03/673914803.db2.gz PKZOJFXAWFDHSL-GBIKHYSHSA-N 1 2 361.320 2.024 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987725 673914806 /nfs/dbraw/zinc/91/48/06/673914806.db2.gz PKZOJFXAWFDHSL-GBIKHYSHSA-N 1 2 361.320 2.024 20 5 FEBDLO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NCCCn1cc[nH+]c1 ZINC000822142781 675470757 /nfs/dbraw/zinc/47/07/57/675470757.db2.gz ZNMADMBSMLAWQI-UHFFFAOYSA-N 1 2 365.777 2.223 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCCNc1cccc[nH+]1 ZINC000760595033 680693931 /nfs/dbraw/zinc/69/39/31/680693931.db2.gz SGQOMMBUUKSCAB-UHFFFAOYSA-N 1 2 356.791 2.034 20 5 FEBDLO C[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000840155707 680803090 /nfs/dbraw/zinc/80/30/90/680803090.db2.gz VVZNVENNSTUGMD-OLZOCXBDSA-N 1 2 353.423 2.232 20 5 FEBDLO C[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000840155707 680803091 /nfs/dbraw/zinc/80/30/91/680803091.db2.gz VVZNVENNSTUGMD-OLZOCXBDSA-N 1 2 353.423 2.232 20 5 FEBDLO COc1cc(C(=O)OCc2c[nH+]cn2C)c([N+](=O)[O-])cc1OC(F)F ZINC000747785026 679902956 /nfs/dbraw/zinc/90/29/56/679902956.db2.gz YISRXHFKCDETAE-UHFFFAOYSA-N 1 2 357.269 2.295 20 5 FEBDLO C[C@@H]1CC2(C[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1)CCOCC2 ZINC000842639686 680956448 /nfs/dbraw/zinc/95/64/48/680956448.db2.gz SKYMZPOUAKQPMM-SNVBAGLBSA-N 1 2 359.224 2.402 20 5 FEBDLO C[C@@H]1CC2(C[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1)CCOCC2 ZINC000842639686 680956449 /nfs/dbraw/zinc/95/64/49/680956449.db2.gz SKYMZPOUAKQPMM-SNVBAGLBSA-N 1 2 359.224 2.402 20 5 FEBDLO C[S@](=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000771146793 681043861 /nfs/dbraw/zinc/04/38/61/681043861.db2.gz NKGIOHUSZOZGGO-DEOSSOPVSA-N 1 2 365.377 2.114 20 5 FEBDLO COC(=O)C1([C@]2(O)CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)CCC1 ZINC000933841263 681473904 /nfs/dbraw/zinc/47/39/04/681473904.db2.gz JQQBMMDSJYYVHU-INIZCTEOSA-N 1 2 354.428 2.327 20 5 FEBDLO COC(=O)C1([C@]2(O)CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)CCC1 ZINC000933841263 681473908 /nfs/dbraw/zinc/47/39/08/681473908.db2.gz JQQBMMDSJYYVHU-INIZCTEOSA-N 1 2 354.428 2.327 20 5 FEBDLO CCOC(=O)CC[N@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)C(C)C ZINC000848503964 681563741 /nfs/dbraw/zinc/56/37/41/681563741.db2.gz WRGXGORJEYXKIT-UHFFFAOYSA-N 1 2 351.359 2.124 20 5 FEBDLO CCOC(=O)CC[N@@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)C(C)C ZINC000848503964 681563751 /nfs/dbraw/zinc/56/37/51/681563751.db2.gz WRGXGORJEYXKIT-UHFFFAOYSA-N 1 2 351.359 2.124 20 5 FEBDLO Cc1nn(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000779867396 681762372 /nfs/dbraw/zinc/76/23/72/681762372.db2.gz ICEADPORNOHDHZ-YPMHNXCESA-N 1 2 353.423 2.292 20 5 FEBDLO Cc1nn(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000779867396 681762380 /nfs/dbraw/zinc/76/23/80/681762380.db2.gz ICEADPORNOHDHZ-YPMHNXCESA-N 1 2 353.423 2.292 20 5 FEBDLO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000851820702 682147656 /nfs/dbraw/zinc/14/76/56/682147656.db2.gz FTTUKRDXXPBGDF-VIFPVBQESA-N 1 2 365.814 2.150 20 5 FEBDLO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000851820702 682147663 /nfs/dbraw/zinc/14/76/63/682147663.db2.gz FTTUKRDXXPBGDF-VIFPVBQESA-N 1 2 365.814 2.150 20 5 FEBDLO C[C@@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000917015182 685529080 /nfs/dbraw/zinc/52/90/80/685529080.db2.gz FKCHGUQYWRXQEX-MJBXVCDLSA-N 1 2 350.419 2.064 20 5 FEBDLO O=[N+]([O-])c1cn(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)nc1-c1ccccn1 ZINC000853503996 682424578 /nfs/dbraw/zinc/42/45/78/682424578.db2.gz XGAOJCWYOWEOTK-UKRRQHHQSA-N 1 2 361.427 2.017 20 5 FEBDLO O=[N+]([O-])c1cn(C[N@H+]2CCS[C@@H]3COCC[C@H]32)nc1-c1ccccn1 ZINC000853503996 682424583 /nfs/dbraw/zinc/42/45/83/682424583.db2.gz XGAOJCWYOWEOTK-UKRRQHHQSA-N 1 2 361.427 2.017 20 5 FEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000854185212 682522741 /nfs/dbraw/zinc/52/27/41/682522741.db2.gz RPDOWAATOMNMFX-MNOVXSKESA-N 1 2 356.810 2.479 20 5 FEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000854185212 682522744 /nfs/dbraw/zinc/52/27/44/682522744.db2.gz RPDOWAATOMNMFX-MNOVXSKESA-N 1 2 356.810 2.479 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)NCC[N@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000795278838 683034525 /nfs/dbraw/zinc/03/45/25/683034525.db2.gz SOMADCLVHJECLW-UHFFFAOYSA-N 1 2 359.835 2.097 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000795278838 683034528 /nfs/dbraw/zinc/03/45/28/683034528.db2.gz SOMADCLVHJECLW-UHFFFAOYSA-N 1 2 359.835 2.097 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000931057745 683825447 /nfs/dbraw/zinc/82/54/47/683825447.db2.gz QMDXRFPWZLFBAN-AWEZNQCLSA-N 1 2 350.419 2.396 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000932051427 684398168 /nfs/dbraw/zinc/39/81/68/684398168.db2.gz GIFFFLYGRSZJHT-NWDGAFQWSA-N 1 2 353.444 2.156 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000932051426 684398197 /nfs/dbraw/zinc/39/81/97/684398197.db2.gz GIFFFLYGRSZJHT-NEPJUHHUSA-N 1 2 353.444 2.156 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)CCCn1cc[nH+]c1 ZINC000881998076 687280982 /nfs/dbraw/zinc/28/09/82/687280982.db2.gz BRRNPNYQXBLJBJ-UHFFFAOYSA-N 1 2 372.834 2.464 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886801142 688315005 /nfs/dbraw/zinc/31/50/05/688315005.db2.gz IITSZSBMWGRWNT-IINYFYTJSA-N 1 2 361.320 2.169 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886801142 688315011 /nfs/dbraw/zinc/31/50/11/688315011.db2.gz IITSZSBMWGRWNT-IINYFYTJSA-N 1 2 361.320 2.169 20 5 FEBDLO O=[N+]([O-])c1cccc2ncnc(N3CC[NH+](Cc4cncs4)CC3)c21 ZINC000894846970 689607954 /nfs/dbraw/zinc/60/79/54/689607954.db2.gz BUHAGNXAZKNCQU-UHFFFAOYSA-N 1 2 356.411 2.317 20 5 FEBDLO COc1ccccc1CCNC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348252 539784709 /nfs/dbraw/zinc/78/47/09/539784709.db2.gz FYDIZPDZVSGZAX-UHFFFAOYSA-N 1 2 357.410 2.394 20 5 FEBDLO COc1ccccc1CCNC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348252 539784710 /nfs/dbraw/zinc/78/47/10/539784710.db2.gz FYDIZPDZVSGZAX-UHFFFAOYSA-N 1 2 357.410 2.394 20 5 FEBDLO Cc1ccccc1N1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000027356802 539805301 /nfs/dbraw/zinc/80/53/01/539805301.db2.gz MNTGKSPKOMNSEA-UHFFFAOYSA-N 1 2 354.410 2.324 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCc1cn2ccccc2[nH+]1 ZINC000027968744 539821289 /nfs/dbraw/zinc/82/12/89/539821289.db2.gz GHXUVCADDKXKBD-UHFFFAOYSA-N 1 2 360.395 2.072 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000037171513 539995802 /nfs/dbraw/zinc/99/58/02/539995802.db2.gz DWOZUWGRTQEPPO-INIZCTEOSA-N 1 2 359.382 2.477 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000037171513 539995806 /nfs/dbraw/zinc/99/58/06/539995806.db2.gz DWOZUWGRTQEPPO-INIZCTEOSA-N 1 2 359.382 2.477 20 5 FEBDLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000047265182 540300322 /nfs/dbraw/zinc/30/03/22/540300322.db2.gz BGOIIKSESQDLDX-JTQLQIEISA-N 1 2 355.441 2.497 20 5 FEBDLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000047265182 540300324 /nfs/dbraw/zinc/30/03/24/540300324.db2.gz BGOIIKSESQDLDX-JTQLQIEISA-N 1 2 355.441 2.497 20 5 FEBDLO Cc1noc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000054678832 540603182 /nfs/dbraw/zinc/60/31/82/540603182.db2.gz YEMPMBPABIURES-NSHDSACASA-N 1 2 359.386 2.493 20 5 FEBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000063644159 541177049 /nfs/dbraw/zinc/17/70/49/541177049.db2.gz USSKLGQLBAPEIP-UHFFFAOYSA-N 1 2 374.372 2.424 20 5 FEBDLO Cc1noc([C@H]2CCC[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)n1 ZINC000067377777 541452097 /nfs/dbraw/zinc/45/20/97/541452097.db2.gz DZQQNANRAZLJPU-XJKSGUPXSA-N 1 2 371.397 2.271 20 5 FEBDLO Cc1noc([C@H]2CCC[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)n1 ZINC000067377777 541452101 /nfs/dbraw/zinc/45/21/01/541452101.db2.gz DZQQNANRAZLJPU-XJKSGUPXSA-N 1 2 371.397 2.271 20 5 FEBDLO COc1ccc(CC(=O)NCc2cn3cc(C)ccc3[nH+]2)cc1[N+](=O)[O-] ZINC000067911868 541527886 /nfs/dbraw/zinc/52/78/86/541527886.db2.gz DSQODAJKGFRXCU-UHFFFAOYSA-N 1 2 354.366 2.418 20 5 FEBDLO O=C(NCCCCNc1cccc[nH+]1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000068420982 541589001 /nfs/dbraw/zinc/58/90/01/541589001.db2.gz RELOVMYVZDDORJ-UHFFFAOYSA-N 1 2 372.381 2.383 20 5 FEBDLO CCCc1n[nH]c(C(=O)NCCn2c(C)[nH+]c3ccccc32)c1[N+](=O)[O-] ZINC000069082402 541655370 /nfs/dbraw/zinc/65/53/70/541655370.db2.gz PZSPLANQJBPOKO-UHFFFAOYSA-N 1 2 356.386 2.359 20 5 FEBDLO COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)[NH+](C)C)c1 ZINC000070880971 541748710 /nfs/dbraw/zinc/74/87/10/541748710.db2.gz KNFFQAVDONVOTC-INIZCTEOSA-N 1 2 359.382 2.342 20 5 FEBDLO CCO[C@@H](C)c1noc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000072665066 541847774 /nfs/dbraw/zinc/84/77/74/541847774.db2.gz UDHMBWMXNNNJPC-RYUDHWBXSA-N 1 2 362.390 2.157 20 5 FEBDLO CCO[C@@H](C)c1noc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000072665066 541847778 /nfs/dbraw/zinc/84/77/78/541847778.db2.gz UDHMBWMXNNNJPC-RYUDHWBXSA-N 1 2 362.390 2.157 20 5 FEBDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000037977362 211326508 /nfs/dbraw/zinc/32/65/08/211326508.db2.gz HGSYASIWPMGEKJ-UHFFFAOYSA-N 1 2 353.176 2.363 20 5 FEBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078146612 542444555 /nfs/dbraw/zinc/44/45/55/542444555.db2.gz WDGMXVMHPROHQX-CZUORRHYSA-N 1 2 359.382 2.207 20 5 FEBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078146612 542444558 /nfs/dbraw/zinc/44/45/58/542444558.db2.gz WDGMXVMHPROHQX-CZUORRHYSA-N 1 2 359.382 2.207 20 5 FEBDLO CC[C@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000078523172 542465226 /nfs/dbraw/zinc/46/52/26/542465226.db2.gz CYTFLDSHZJEBQQ-LLVKDONJSA-N 1 2 358.236 2.250 20 5 FEBDLO Cc1cnc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000078627552 542472620 /nfs/dbraw/zinc/47/26/20/542472620.db2.gz BVHYJQPQHDEMQX-UHFFFAOYSA-N 1 2 352.398 2.268 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000088777590 542757238 /nfs/dbraw/zinc/75/72/38/542757238.db2.gz ZXLCZRGBHQRFQX-LBPRGKRZSA-N 1 2 350.400 2.195 20 5 FEBDLO COc1cc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c([N+](=O)[O-])cc1OC ZINC000093278104 542924034 /nfs/dbraw/zinc/92/40/34/542924034.db2.gz LQOJVSWYCXEDTB-CQSZACIVSA-N 1 2 363.414 2.199 20 5 FEBDLO COc1cc(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)c([N+](=O)[O-])cc1OC ZINC000093278104 542924037 /nfs/dbraw/zinc/92/40/37/542924037.db2.gz LQOJVSWYCXEDTB-CQSZACIVSA-N 1 2 363.414 2.199 20 5 FEBDLO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000070709062 136138430 /nfs/dbraw/zinc/13/84/30/136138430.db2.gz VUDIKAZRNAZMKH-GASCZTMLSA-N 1 2 360.458 2.465 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CCCC2=O)CC1 ZINC000104729963 543140401 /nfs/dbraw/zinc/14/04/01/543140401.db2.gz JMWSSSFQWSSZHF-ZDUSSCGKSA-N 1 2 360.414 2.009 20 5 FEBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000107355355 543267741 /nfs/dbraw/zinc/26/77/41/543267741.db2.gz MXSNDSXIXATZGW-UHFFFAOYSA-N 1 2 371.397 2.401 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000109189206 543317458 /nfs/dbraw/zinc/31/74/58/543317458.db2.gz HZVDRGGHZCPGEQ-KRWDZBQOSA-N 1 2 368.397 2.129 20 5 FEBDLO CNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000247502043 549346404 /nfs/dbraw/zinc/34/64/04/549346404.db2.gz IHYTYXMYMBTQKS-WDEREUQCSA-N 1 2 368.821 2.033 20 5 FEBDLO CNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000247502043 549346407 /nfs/dbraw/zinc/34/64/07/549346407.db2.gz IHYTYXMYMBTQKS-WDEREUQCSA-N 1 2 368.821 2.033 20 5 FEBDLO Cc1cc(NC[C@H]2CCS(=O)(=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000140921690 544410669 /nfs/dbraw/zinc/41/06/69/544410669.db2.gz ZZXPQZQYXLBVIE-GFCCVEGCSA-N 1 2 362.411 2.207 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000150171569 544461302 /nfs/dbraw/zinc/46/13/02/544461302.db2.gz CBJQSPAOPIYCHH-UHFFFAOYSA-N 1 2 354.370 2.353 20 5 FEBDLO C[C@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000151260951 544522070 /nfs/dbraw/zinc/52/20/70/544522070.db2.gz HPRNCBBQXYHMIV-JSGCOSHPSA-N 1 2 350.400 2.063 20 5 FEBDLO Cc1cc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)cc([N+](=O)[O-])c1F ZINC000154289498 544886420 /nfs/dbraw/zinc/88/64/20/544886420.db2.gz KZLOOQPSULTKEA-CYBMUJFWSA-N 1 2 371.390 2.217 20 5 FEBDLO COC(=O)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000191851962 328285096 /nfs/dbraw/zinc/28/50/96/328285096.db2.gz PPIGTNORQQSJPJ-TZMCWYRMSA-N 1 2 372.381 2.052 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000191868898 328285983 /nfs/dbraw/zinc/28/59/83/328285983.db2.gz HPHZXOYHSPHHIG-UHFFFAOYSA-N 1 2 355.460 2.174 20 5 FEBDLO Cc1ccc(NC(=O)C(=O)NCc2[nH+]ccn2CC(C)C)cc1[N+](=O)[O-] ZINC000076375725 324939845 /nfs/dbraw/zinc/93/98/45/324939845.db2.gz AYBZARNFWXTGJG-UHFFFAOYSA-N 1 2 359.386 2.011 20 5 FEBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000080946054 325150206 /nfs/dbraw/zinc/15/02/06/325150206.db2.gz ROYQICXVQLHTBX-CQSZACIVSA-N 1 2 353.806 2.185 20 5 FEBDLO COCc1ccc(CNC(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000088606713 325298753 /nfs/dbraw/zinc/29/87/53/325298753.db2.gz SDPMVODDBRYNAA-UHFFFAOYSA-N 1 2 369.421 2.416 20 5 FEBDLO COCc1ccc(CNC(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000088606713 325298755 /nfs/dbraw/zinc/29/87/55/325298755.db2.gz SDPMVODDBRYNAA-UHFFFAOYSA-N 1 2 369.421 2.416 20 5 FEBDLO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](c2ccc(F)cc2)O1 ZINC000090550685 325362595 /nfs/dbraw/zinc/36/25/95/325362595.db2.gz JTKCNMNAKZTMIP-CXAGYDPISA-N 1 2 361.373 2.358 20 5 FEBDLO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](c2ccc(F)cc2)O1 ZINC000090550685 325362596 /nfs/dbraw/zinc/36/25/96/325362596.db2.gz JTKCNMNAKZTMIP-CXAGYDPISA-N 1 2 361.373 2.358 20 5 FEBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(COC)CC2)c([N+](=O)[O-])c1 ZINC000112356054 325775202 /nfs/dbraw/zinc/77/52/02/325775202.db2.gz JSQWWXJIMKXNFU-UHFFFAOYSA-N 1 2 351.403 2.290 20 5 FEBDLO O=C(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cccc(F)c1 ZINC000118865980 326109917 /nfs/dbraw/zinc/10/99/17/326109917.db2.gz IPDLYDRDULWVPF-CQSZACIVSA-N 1 2 359.361 2.254 20 5 FEBDLO O=C(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cccc(F)c1 ZINC000118865980 326109918 /nfs/dbraw/zinc/10/99/18/326109918.db2.gz IPDLYDRDULWVPF-CQSZACIVSA-N 1 2 359.361 2.254 20 5 FEBDLO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120670820 326277850 /nfs/dbraw/zinc/27/78/50/326277850.db2.gz MKLFVZMYXXJZEF-HNNXBMFYSA-N 1 2 356.382 2.472 20 5 FEBDLO O=C(C[NH+]1CCN(c2cccs2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000121476691 326341565 /nfs/dbraw/zinc/34/15/65/326341565.db2.gz XIRXDCCIGZCTQL-UHFFFAOYSA-N 1 2 372.450 2.368 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](Cc2cccnc2)CC1 ZINC000127459551 326506844 /nfs/dbraw/zinc/50/68/44/326506844.db2.gz HUTOGGCASSTSDD-UHFFFAOYSA-N 1 2 358.373 2.016 20 5 FEBDLO Cc1cccn2cc(CNS(=O)(=O)c3cccc([N+](=O)[O-])c3C)[nH+]c12 ZINC000128812102 326530155 /nfs/dbraw/zinc/53/01/55/326530155.db2.gz GWLAHNFVCZRTPE-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000154975587 326773995 /nfs/dbraw/zinc/77/39/95/326773995.db2.gz OGRNDEUNKOURSR-KRWDZBQOSA-N 1 2 356.382 2.395 20 5 FEBDLO COc1ccc(C[NH+]2CCN(c3nc(C)cc(C)n3)CC2)cc1[N+](=O)[O-] ZINC000159031205 326916797 /nfs/dbraw/zinc/91/67/97/326916797.db2.gz ACPCOSQJROQYOJ-UHFFFAOYSA-N 1 2 357.414 2.332 20 5 FEBDLO Cc1ccc(NCCCNC(=O)[C@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000161853987 327010752 /nfs/dbraw/zinc/01/07/52/327010752.db2.gz RVVLQSXNUPPVHI-AWEZNQCLSA-N 1 2 357.414 2.281 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCS[C@@H]2COCC[C@H]21 ZINC000162493493 327027183 /nfs/dbraw/zinc/02/71/83/327027183.db2.gz SQSWVQBGHJMPCG-GDBMZVCRSA-N 1 2 374.422 2.127 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000175095916 327373786 /nfs/dbraw/zinc/37/37/86/327373786.db2.gz VSQLVPVDMJIOOK-UHFFFAOYSA-N 1 2 364.427 2.434 20 5 FEBDLO Nc1c(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cccc1[N+](=O)[O-] ZINC000178168217 327569727 /nfs/dbraw/zinc/56/97/27/327569727.db2.gz STYNCRBOTJGPKS-UHFFFAOYSA-N 1 2 351.366 2.352 20 5 FEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ncccn2)CC1 ZINC000264300587 329008495 /nfs/dbraw/zinc/00/84/95/329008495.db2.gz RMYINXSTGYFRGD-UHFFFAOYSA-N 1 2 357.414 2.494 20 5 FEBDLO Cc1ncsc1C[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000264525712 329032703 /nfs/dbraw/zinc/03/27/03/329032703.db2.gz BREQLPOAXAUVOW-UHFFFAOYSA-N 1 2 364.383 2.159 20 5 FEBDLO Cc1ncsc1C[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000264525712 329032704 /nfs/dbraw/zinc/03/27/04/329032704.db2.gz BREQLPOAXAUVOW-UHFFFAOYSA-N 1 2 364.383 2.159 20 5 FEBDLO COc1cc[nH+]cc1NC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000265894088 329170340 /nfs/dbraw/zinc/17/03/40/329170340.db2.gz ZMKUXCJMZWCWEA-UHFFFAOYSA-N 1 2 372.381 2.076 20 5 FEBDLO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)CS(=O)(=O)CC ZINC000266560178 329236285 /nfs/dbraw/zinc/23/62/85/329236285.db2.gz XGLPVASRYWYMQR-ZDUSSCGKSA-N 1 2 374.459 2.127 20 5 FEBDLO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)CS(=O)(=O)CC ZINC000266560178 329236287 /nfs/dbraw/zinc/23/62/87/329236287.db2.gz XGLPVASRYWYMQR-ZDUSSCGKSA-N 1 2 374.459 2.127 20 5 FEBDLO COc1ccc(OCC[N@@H+](C)Cc2nc([C@H](C)OC)no2)c([N+](=O)[O-])c1 ZINC000267141104 329295725 /nfs/dbraw/zinc/29/57/25/329295725.db2.gz YSCWPAOHRFIHND-NSHDSACASA-N 1 2 366.374 2.205 20 5 FEBDLO COc1ccc(OCC[N@H+](C)Cc2nc([C@H](C)OC)no2)c([N+](=O)[O-])c1 ZINC000267141104 329295726 /nfs/dbraw/zinc/29/57/26/329295726.db2.gz YSCWPAOHRFIHND-NSHDSACASA-N 1 2 366.374 2.205 20 5 FEBDLO O=C(N1CCC[C@H]1C[NH+]1CCOCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272357220 329773582 /nfs/dbraw/zinc/77/35/82/329773582.db2.gz PHXYNDRLIPWSHL-HNNXBMFYSA-N 1 2 369.368 2.010 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275383001 330042153 /nfs/dbraw/zinc/04/21/53/330042153.db2.gz BFNXCMPJFXVNBQ-XHDPSFHLSA-N 1 2 351.403 2.023 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275383001 330042154 /nfs/dbraw/zinc/04/21/54/330042154.db2.gz BFNXCMPJFXVNBQ-XHDPSFHLSA-N 1 2 351.403 2.023 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000275884005 330099873 /nfs/dbraw/zinc/09/98/73/330099873.db2.gz KZCBJGUCKGSMJQ-UHFFFAOYSA-N 1 2 355.822 2.397 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccncc2)CC1 ZINC000161234560 546111572 /nfs/dbraw/zinc/11/15/72/546111572.db2.gz PEQDHFSBZOGWLY-OAHLLOKOSA-N 1 2 369.425 2.135 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCOc2cc[nH+]cc21 ZINC000175660878 546329016 /nfs/dbraw/zinc/32/90/16/546329016.db2.gz MEOFICKUAHOHNN-UHFFFAOYSA-N 1 2 355.759 2.231 20 5 FEBDLO COc1cc(C[N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)ccc1O ZINC000177056097 546534153 /nfs/dbraw/zinc/53/41/53/546534153.db2.gz JFXUYZUVTIRGTJ-UHFFFAOYSA-N 1 2 371.393 2.330 20 5 FEBDLO COc1cc(C[N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)ccc1O ZINC000177056097 546534160 /nfs/dbraw/zinc/53/41/60/546534160.db2.gz JFXUYZUVTIRGTJ-UHFFFAOYSA-N 1 2 371.393 2.330 20 5 FEBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3ncc(C)cc3[N+](=O)[O-])CC2)no1 ZINC000480784535 561216739 /nfs/dbraw/zinc/21/67/39/561216739.db2.gz BWVZMAMEJNIQJN-CQSZACIVSA-N 1 2 360.418 2.481 20 5 FEBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3ncc(C)cc3[N+](=O)[O-])CC2)no1 ZINC000480784535 561216740 /nfs/dbraw/zinc/21/67/40/561216740.db2.gz BWVZMAMEJNIQJN-CQSZACIVSA-N 1 2 360.418 2.481 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)NCc2ccc(N(C)C)[nH+]c2)c1[N+](=O)[O-] ZINC000481073084 561224561 /nfs/dbraw/zinc/22/45/61/561224561.db2.gz OQUBEDGEPGMYDM-UHFFFAOYSA-N 1 2 364.427 2.151 20 5 FEBDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000481205790 561227915 /nfs/dbraw/zinc/22/79/15/561227915.db2.gz XIEGVHQDQBLRGR-UKRRQHHQSA-N 1 2 350.325 2.376 20 5 FEBDLO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000481205790 561227916 /nfs/dbraw/zinc/22/79/16/561227916.db2.gz XIEGVHQDQBLRGR-UKRRQHHQSA-N 1 2 350.325 2.376 20 5 FEBDLO COCCO[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000179360499 546938796 /nfs/dbraw/zinc/93/87/96/546938796.db2.gz OQQBXUNUBJUYCC-ZDUSSCGKSA-N 1 2 371.821 2.314 20 5 FEBDLO COCCO[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000179360499 546938799 /nfs/dbraw/zinc/93/87/99/546938799.db2.gz OQQBXUNUBJUYCC-ZDUSSCGKSA-N 1 2 371.821 2.314 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000483013984 561265007 /nfs/dbraw/zinc/26/50/07/561265007.db2.gz MBBFDUNVICFMKV-INIZCTEOSA-N 1 2 363.414 2.112 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000483056520 561266125 /nfs/dbraw/zinc/26/61/25/561266125.db2.gz LEHUFVUEBUZDSQ-UKRRQHHQSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nnc2ccccn21 ZINC000182718946 547540605 /nfs/dbraw/zinc/54/06/05/547540605.db2.gz AGGMYUWRNUVODJ-WFASDCNBSA-N 1 2 366.381 2.094 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1CN1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183786542 547719576 /nfs/dbraw/zinc/71/95/76/547719576.db2.gz GIRXLGVENWJOLL-UHFFFAOYSA-N 1 2 357.414 2.414 20 5 FEBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000184666114 547862991 /nfs/dbraw/zinc/86/29/91/547862991.db2.gz CQROFKRFVWFANM-UHFFFAOYSA-N 1 2 352.350 2.475 20 5 FEBDLO C[NH+]1CCN(Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)c2)CC1 ZINC000184695767 547867113 /nfs/dbraw/zinc/86/71/13/547867113.db2.gz DOGVCOYAFZCFEU-UHFFFAOYSA-N 1 2 370.409 2.300 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186846102 548204588 /nfs/dbraw/zinc/20/45/88/548204588.db2.gz WMCNTYWSFMRECH-UHFFFAOYSA-N 1 2 355.354 2.174 20 5 FEBDLO Cn1c2cc(Br)ccc2[nH+]c1Cn1cccc([N+](=O)[O-])c1=O ZINC000486029447 561335838 /nfs/dbraw/zinc/33/58/38/561335838.db2.gz BKXKAVNLBPNPQZ-UHFFFAOYSA-N 1 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COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000247367113 549324776 /nfs/dbraw/zinc/32/47/76/549324776.db2.gz HOBYMHOBUZAEHF-CXAGYDPISA-N 1 2 373.413 2.322 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000247367113 549324779 /nfs/dbraw/zinc/32/47/79/549324779.db2.gz HOBYMHOBUZAEHF-CXAGYDPISA-N 1 2 373.413 2.322 20 5 FEBDLO Cc1cc(NCCCC(=O)NC2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000489175997 561405138 /nfs/dbraw/zinc/40/51/38/561405138.db2.gz MULVJWAZQYLBCE-UHFFFAOYSA-N 1 2 355.398 2.253 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000489184208 561405213 /nfs/dbraw/zinc/40/52/13/561405213.db2.gz DXBIUNQPIIIMSN-HNNXBMFYSA-N 1 2 362.357 2.368 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCOc2ccc(F)cc2C1 ZINC000489184208 561405214 /nfs/dbraw/zinc/40/52/14/561405214.db2.gz DXBIUNQPIIIMSN-HNNXBMFYSA-N 1 2 362.357 2.368 20 5 FEBDLO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCO[C@@H]1C ZINC000489447934 561411661 /nfs/dbraw/zinc/41/16/61/561411661.db2.gz JIHKZFMNLPVKBM-ABAIWWIYSA-N 1 2 371.821 2.313 20 5 FEBDLO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCO[C@@H]1C ZINC000489447934 561411662 /nfs/dbraw/zinc/41/16/62/561411662.db2.gz JIHKZFMNLPVKBM-ABAIWWIYSA-N 1 2 371.821 2.313 20 5 FEBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000248892048 549523396 /nfs/dbraw/zinc/52/33/96/549523396.db2.gz ZCHBCJWSEPIJEV-BJJXKVORSA-N 1 2 372.381 2.418 20 5 FEBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000248892048 549523399 /nfs/dbraw/zinc/52/33/99/549523399.db2.gz ZCHBCJWSEPIJEV-BJJXKVORSA-N 1 2 372.381 2.418 20 5 FEBDLO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](C)C1 ZINC000249089733 549549398 /nfs/dbraw/zinc/54/93/98/549549398.db2.gz KDGOKDYYQAKLNN-NEPJUHHUSA-N 1 2 363.439 2.337 20 5 FEBDLO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](C)C1 ZINC000249089733 549549402 /nfs/dbraw/zinc/54/94/02/549549402.db2.gz KDGOKDYYQAKLNN-NEPJUHHUSA-N 1 2 363.439 2.337 20 5 FEBDLO CCc1nsc(N2CC[NH+](Cc3ccc([N+](=O)[O-])c(OC)c3)CC2)n1 ZINC000490043630 561425158 /nfs/dbraw/zinc/42/51/58/561425158.db2.gz ZNSVMTBTVNQXGQ-UHFFFAOYSA-N 1 2 363.443 2.340 20 5 FEBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000263763308 549933330 /nfs/dbraw/zinc/93/33/30/549933330.db2.gz DPIUATOELFTRTE-SWLSCSKDSA-N 1 2 371.397 2.190 20 5 FEBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)c1 ZINC000264093373 549978307 /nfs/dbraw/zinc/97/83/07/549978307.db2.gz BZSRDJZKHYHWAX-ZDUSSCGKSA-N 1 2 358.398 2.451 20 5 FEBDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000268411380 550060642 /nfs/dbraw/zinc/06/06/42/550060642.db2.gz APAOWZZNLYGMSD-WCQYABFASA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000268411380 550060644 /nfs/dbraw/zinc/06/06/44/550060644.db2.gz APAOWZZNLYGMSD-WCQYABFASA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000268411380 550060646 /nfs/dbraw/zinc/06/06/46/550060646.db2.gz APAOWZZNLYGMSD-WCQYABFASA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000268411380 550060647 /nfs/dbraw/zinc/06/06/47/550060647.db2.gz APAOWZZNLYGMSD-WCQYABFASA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1nnc([C@H]2CCC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)[nH]1 ZINC000268529159 550082447 /nfs/dbraw/zinc/08/24/47/550082447.db2.gz YOPOAYYPISHTTL-ZDUSSCGKSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)[nH]1 ZINC000268529159 550082449 /nfs/dbraw/zinc/08/24/49/550082449.db2.gz YOPOAYYPISHTTL-ZDUSSCGKSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)n1 ZINC000268529159 550082451 /nfs/dbraw/zinc/08/24/51/550082451.db2.gz YOPOAYYPISHTTL-ZDUSSCGKSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)n1 ZINC000268529159 550082453 /nfs/dbraw/zinc/08/24/53/550082453.db2.gz YOPOAYYPISHTTL-ZDUSSCGKSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1nc([C@H]2CCC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)n[nH]1 ZINC000268529159 550082454 /nfs/dbraw/zinc/08/24/54/550082454.db2.gz YOPOAYYPISHTTL-ZDUSSCGKSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1nc([C@H]2CCC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)n[nH]1 ZINC000268529159 550082456 /nfs/dbraw/zinc/08/24/56/550082456.db2.gz YOPOAYYPISHTTL-ZDUSSCGKSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000271160545 550346886 /nfs/dbraw/zinc/34/68/86/550346886.db2.gz RMRJJDPECIUEQG-SWLSCSKDSA-N 1 2 365.340 2.080 20 5 FEBDLO Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000271160545 550346887 /nfs/dbraw/zinc/34/68/87/550346887.db2.gz RMRJJDPECIUEQG-SWLSCSKDSA-N 1 2 365.340 2.080 20 5 FEBDLO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000271727921 550397930 /nfs/dbraw/zinc/39/79/30/550397930.db2.gz MWFBDQSGCONBDQ-CABCVRRESA-N 1 2 362.430 2.162 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000277672293 550699598 /nfs/dbraw/zinc/69/95/98/550699598.db2.gz FUCBHPPFMUXGON-YGRLFVJLSA-N 1 2 361.320 2.169 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000277672293 550699600 /nfs/dbraw/zinc/69/96/00/550699600.db2.gz FUCBHPPFMUXGON-YGRLFVJLSA-N 1 2 361.320 2.169 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000279064155 550852192 /nfs/dbraw/zinc/85/21/92/550852192.db2.gz DKKVVOXXCAUBQI-LBPRGKRZSA-N 1 2 355.822 2.349 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000279698122 550918397 /nfs/dbraw/zinc/91/83/97/550918397.db2.gz GSWFFTJXSWJQHJ-ZXTQRBJTSA-N 1 2 363.414 2.190 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000279698122 550918398 /nfs/dbraw/zinc/91/83/98/550918398.db2.gz GSWFFTJXSWJQHJ-ZXTQRBJTSA-N 1 2 363.414 2.190 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280587314 551010410 /nfs/dbraw/zinc/01/04/10/551010410.db2.gz UBBUUAWUCASICL-SCLBCKFNSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280587314 551010411 /nfs/dbraw/zinc/01/04/11/551010411.db2.gz UBBUUAWUCASICL-SCLBCKFNSA-N 1 2 363.414 2.192 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000281511759 551107085 /nfs/dbraw/zinc/10/70/85/551107085.db2.gz ABMPNNKFTVBXMR-QWHCGFSZSA-N 1 2 351.403 2.431 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](OC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000281511759 551107087 /nfs/dbraw/zinc/10/70/87/551107087.db2.gz ABMPNNKFTVBXMR-QWHCGFSZSA-N 1 2 351.403 2.431 20 5 FEBDLO CON(CC1CCOCC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000282365926 551218127 /nfs/dbraw/zinc/21/81/27/551218127.db2.gz DPZPYHMTKPWXHN-UHFFFAOYSA-N 1 2 360.370 2.211 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])CCC2 ZINC000497539158 561503461 /nfs/dbraw/zinc/50/34/61/561503461.db2.gz OVDVRRRWLBBYIE-LBPRGKRZSA-N 1 2 364.427 2.493 20 5 FEBDLO COCCn1cc(CN[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000282545504 551244837 /nfs/dbraw/zinc/24/48/37/551244837.db2.gz RJFPQVVULJXRHZ-QGZVFWFLSA-N 1 2 370.413 2.050 20 5 FEBDLO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCCF ZINC000282707251 551261970 /nfs/dbraw/zinc/26/19/70/551261970.db2.gz PIFIUIMWFAWQBK-JTQLQIEISA-N 1 2 352.391 2.282 20 5 FEBDLO O=C(CC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000283307575 551345534 /nfs/dbraw/zinc/34/55/34/551345534.db2.gz NSXFRVKBBCTECF-SFHVURJKSA-N 1 2 368.393 2.097 20 5 FEBDLO O=C(CC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000283307575 551345537 /nfs/dbraw/zinc/34/55/37/551345537.db2.gz NSXFRVKBBCTECF-SFHVURJKSA-N 1 2 368.393 2.097 20 5 FEBDLO O=c1[nH]nc([C@@H]2CCC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)o1 ZINC000284321044 551523326 /nfs/dbraw/zinc/52/33/26/551523326.db2.gz PPWINVGEEDQTEV-GFCCVEGCSA-N 1 2 371.353 2.306 20 5 FEBDLO O=c1[nH]nc([C@@H]2CCC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)o1 ZINC000284321044 551523328 /nfs/dbraw/zinc/52/33/28/551523328.db2.gz PPWINVGEEDQTEV-GFCCVEGCSA-N 1 2 371.353 2.306 20 5 FEBDLO Cc1n[nH]c(C(=O)N2CCC[C@H]2c2[nH+]c3c(n2C)CCCC3)c1[N+](=O)[O-] ZINC000284649671 551598694 /nfs/dbraw/zinc/59/86/94/551598694.db2.gz PGDMYQXUEWNTGZ-ZDUSSCGKSA-N 1 2 358.402 2.216 20 5 FEBDLO Cc1[nH]nc(C(=O)N2CCC[C@H]2c2[nH+]c3c(n2C)CCCC3)c1[N+](=O)[O-] ZINC000284649671 551598695 /nfs/dbraw/zinc/59/86/95/551598695.db2.gz PGDMYQXUEWNTGZ-ZDUSSCGKSA-N 1 2 358.402 2.216 20 5 FEBDLO Cc1noc([C@@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000285661112 551791428 /nfs/dbraw/zinc/79/14/28/551791428.db2.gz MTZAIKAJQGKETO-HIFRSBDPSA-N 1 2 362.386 2.253 20 5 FEBDLO Cc1noc([C@@H]2CCCC[N@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000285661112 551791429 /nfs/dbraw/zinc/79/14/29/551791429.db2.gz MTZAIKAJQGKETO-HIFRSBDPSA-N 1 2 362.386 2.253 20 5 FEBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000285860936 551820056 /nfs/dbraw/zinc/82/00/56/551820056.db2.gz PRVNSDJKDBCAOX-RELGSGGGSA-N 1 2 359.426 2.320 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000286616935 551906545 /nfs/dbraw/zinc/90/65/45/551906545.db2.gz RVEALCTVWJEQCQ-ZYHUDNBSSA-N 1 2 363.292 2.496 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000286616935 551906547 /nfs/dbraw/zinc/90/65/47/551906547.db2.gz RVEALCTVWJEQCQ-ZYHUDNBSSA-N 1 2 363.292 2.496 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000287611246 552025100 /nfs/dbraw/zinc/02/51/00/552025100.db2.gz YTXMOFCUSIUQMG-WFASDCNBSA-N 1 2 369.368 2.008 20 5 FEBDLO CC1(C)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1[C@H]1CCCO1 ZINC000289795897 552379871 /nfs/dbraw/zinc/37/98/71/552379871.db2.gz NMXUOBVUIILDLK-AEFFLSMTSA-N 1 2 359.426 2.373 20 5 FEBDLO CC1(C)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1[C@H]1CCCO1 ZINC000289795897 552379875 /nfs/dbraw/zinc/37/98/75/552379875.db2.gz NMXUOBVUIILDLK-AEFFLSMTSA-N 1 2 359.426 2.373 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC(F)(F)[C@H](CO)C3)n2)cc1 ZINC000291891936 552672162 /nfs/dbraw/zinc/67/21/62/552672162.db2.gz QTXNTZUIOBVUDU-NSHDSACASA-N 1 2 354.313 2.094 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC(F)(F)[C@H](CO)C3)n2)cc1 ZINC000291891936 552672164 /nfs/dbraw/zinc/67/21/64/552672164.db2.gz QTXNTZUIOBVUDU-NSHDSACASA-N 1 2 354.313 2.094 20 5 FEBDLO C[C@@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292249219 552708661 /nfs/dbraw/zinc/70/86/61/552708661.db2.gz JZXXYXNLKZNPBW-NSHDSACASA-N 1 2 373.500 2.370 20 5 FEBDLO C[C@@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000292249219 552708663 /nfs/dbraw/zinc/70/86/63/552708663.db2.gz JZXXYXNLKZNPBW-NSHDSACASA-N 1 2 373.500 2.370 20 5 FEBDLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293730276 552851069 /nfs/dbraw/zinc/85/10/69/552851069.db2.gz ZFQIZCMGBPHBFI-JTQLQIEISA-N 1 2 366.361 2.480 20 5 FEBDLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293730276 552851070 /nfs/dbraw/zinc/85/10/70/552851070.db2.gz ZFQIZCMGBPHBFI-JTQLQIEISA-N 1 2 366.361 2.480 20 5 FEBDLO CN(C)c1ccc(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000294270028 552892742 /nfs/dbraw/zinc/89/27/42/552892742.db2.gz HAEWWFFMUKMVQT-UHFFFAOYSA-N 1 2 356.382 2.335 20 5 FEBDLO Cc1cccc([C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000294474491 552909162 /nfs/dbraw/zinc/90/91/62/552909162.db2.gz MIIQCIOEKLCVPX-KRWDZBQOSA-N 1 2 363.458 2.320 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1(C)C ZINC000295173659 552966409 /nfs/dbraw/zinc/96/64/09/552966409.db2.gz ATMYSWRUKAJGPD-ZDUSSCGKSA-N 1 2 368.390 2.239 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000295249242 552975956 /nfs/dbraw/zinc/97/59/56/552975956.db2.gz KFVQTQJZZRIHQW-CQSZACIVSA-N 1 2 364.427 2.409 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1N(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295847019 553067395 /nfs/dbraw/zinc/06/73/95/553067395.db2.gz IHUFZASXGWDWOI-XJKSGUPXSA-N 1 2 360.414 2.151 20 5 FEBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000295863156 553069362 /nfs/dbraw/zinc/06/93/62/553069362.db2.gz FEKUUULYKATURQ-ZDUSSCGKSA-N 1 2 356.379 2.441 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000295959342 553081248 /nfs/dbraw/zinc/08/12/48/553081248.db2.gz BOUMQLXRPQTTSC-CQSZACIVSA-N 1 2 371.397 2.185 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1N(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1(C)C ZINC000296256175 553130286 /nfs/dbraw/zinc/13/02/86/553130286.db2.gz JCZQRGFMCAZADK-AWEZNQCLSA-N 1 2 364.427 2.319 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1(C)C ZINC000296318259 553140109 /nfs/dbraw/zinc/14/01/09/553140109.db2.gz RTVNRCGQRQNYGA-INIZCTEOSA-N 1 2 372.381 2.129 20 5 FEBDLO NC(=O)c1cccc(C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000296536198 553176108 /nfs/dbraw/zinc/17/61/08/553176108.db2.gz BFESLQWBFBDQBK-UHFFFAOYSA-N 1 2 368.393 2.297 20 5 FEBDLO NC(=O)c1cccc(C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000296536198 553176110 /nfs/dbraw/zinc/17/61/10/553176110.db2.gz BFESLQWBFBDQBK-UHFFFAOYSA-N 1 2 368.393 2.297 20 5 FEBDLO Cc1cc(NCCNC(=O)c2cccc([N+](=O)[O-])c2N)nc(C(C)C)[nH+]1 ZINC000600365523 553257080 /nfs/dbraw/zinc/25/70/80/553257080.db2.gz KVVHYZZCXYCVQN-UHFFFAOYSA-N 1 2 358.402 2.241 20 5 FEBDLO COc1cc(C[NH+]2CC(C(C)(C)O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000297297711 553275050 /nfs/dbraw/zinc/27/50/50/553275050.db2.gz BGVISDYYXKWZDZ-UHFFFAOYSA-N 1 2 360.357 2.450 20 5 FEBDLO NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000298697675 553459826 /nfs/dbraw/zinc/45/98/26/553459826.db2.gz GGFDTKLRMHYAMO-UHFFFAOYSA-N 1 2 370.413 2.476 20 5 FEBDLO Nc1nc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)ncc1[N+](=O)[O-] ZINC000301262038 553636745 /nfs/dbraw/zinc/63/67/45/553636745.db2.gz OTGATRZVOCDAMT-SNVBAGLBSA-N 1 2 364.356 2.322 20 5 FEBDLO Nc1nc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)ncc1[N+](=O)[O-] ZINC000301262038 553636748 /nfs/dbraw/zinc/63/67/48/553636748.db2.gz OTGATRZVOCDAMT-SNVBAGLBSA-N 1 2 364.356 2.322 20 5 FEBDLO COc1cc(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)c(F)cc1[N+](=O)[O-] ZINC000301884402 553688331 /nfs/dbraw/zinc/68/83/31/553688331.db2.gz 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O=C(N[C@@H](CO)c1ccsc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000505582749 561674534 /nfs/dbraw/zinc/67/45/34/561674534.db2.gz WERVOGCADIRSTL-ZDUSSCGKSA-N 1 2 358.379 2.305 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000506228971 561693705 /nfs/dbraw/zinc/69/37/05/561693705.db2.gz YPMZRTMMHDEEGR-UHFFFAOYSA-N 1 2 372.406 2.318 20 5 FEBDLO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccn2cc[nH+]c2c1 ZINC000506879142 561710779 /nfs/dbraw/zinc/71/07/79/561710779.db2.gz BPHZCRDOFIDETC-UHFFFAOYSA-N 1 2 353.338 2.001 20 5 FEBDLO O=[N+]([O-])c1ccc(OCc2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000351023780 554830751 /nfs/dbraw/zinc/83/07/51/554830751.db2.gz JUCKSAODWXTHEL-DZGCQCFKSA-N 1 2 360.370 2.483 20 5 FEBDLO O=[N+]([O-])c1ccc(OCc2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000351023780 554830754 /nfs/dbraw/zinc/83/07/54/554830754.db2.gz JUCKSAODWXTHEL-DZGCQCFKSA-N 1 2 360.370 2.483 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000360280903 554870057 /nfs/dbraw/zinc/87/00/57/554870057.db2.gz YLKDWGISIGTZQZ-CQSZACIVSA-N 1 2 373.413 2.466 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000360280903 554870060 /nfs/dbraw/zinc/87/00/60/554870060.db2.gz YLKDWGISIGTZQZ-CQSZACIVSA-N 1 2 373.413 2.466 20 5 FEBDLO CCc1nc(C[NH+]2C[C@@H]3CN(c4ccc([N+](=O)[O-])c(C)c4)C[C@H]3C2)no1 ZINC000361768760 554933797 /nfs/dbraw/zinc/93/37/97/554933797.db2.gz QQGHCNJNGNJIIH-ZIAGYGMSSA-N 1 2 357.414 2.417 20 5 FEBDLO Cc1cc(N2CCC(N(C)C(=O)[C@H]3C[C@H]3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000363494042 555120048 /nfs/dbraw/zinc/12/00/48/555120048.db2.gz XYEWWELBFKEWBL-LSDHHAIUSA-N 1 2 361.446 2.001 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000364244240 555277200 /nfs/dbraw/zinc/27/72/00/555277200.db2.gz UCZCASUJTQISBL-AWEZNQCLSA-N 1 2 363.414 2.193 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCOC2(CCOCC2)CC1 ZINC000364244240 555277201 /nfs/dbraw/zinc/27/72/01/555277201.db2.gz UCZCASUJTQISBL-AWEZNQCLSA-N 1 2 363.414 2.193 20 5 FEBDLO O=C1[C@@H]([N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CCN1c1ccccc1F ZINC000364335766 555293872 /nfs/dbraw/zinc/29/38/72/555293872.db2.gz JESTZZSCMYNCNW-GUYCJALGSA-N 1 2 373.388 2.373 20 5 FEBDLO O=C1[C@@H]([N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CCN1c1ccccc1F ZINC000364335766 555293874 /nfs/dbraw/zinc/29/38/74/555293874.db2.gz JESTZZSCMYNCNW-GUYCJALGSA-N 1 2 373.388 2.373 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C2 ZINC000364860588 555417884 /nfs/dbraw/zinc/41/78/84/555417884.db2.gz QHXCVSMORAXWHY-LBPRGKRZSA-N 1 2 350.325 2.323 20 5 FEBDLO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000365834290 555678764 /nfs/dbraw/zinc/67/87/64/555678764.db2.gz GPXGTNXJKSCSGS-INIZCTEOSA-N 1 2 356.361 2.442 20 5 FEBDLO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000365834290 555678766 /nfs/dbraw/zinc/67/87/66/555678766.db2.gz GPXGTNXJKSCSGS-INIZCTEOSA-N 1 2 356.361 2.442 20 5 FEBDLO Cc1cc(C2=CC[N@H+](CCCS(C)(=O)=O)CC2)cc([N+](=O)[O-])c1N ZINC000365886637 555692796 /nfs/dbraw/zinc/69/27/96/555692796.db2.gz SDHDULZSIIIPQF-UHFFFAOYSA-N 1 2 353.444 2.009 20 5 FEBDLO Cc1cc(C2=CC[N@@H+](CCCS(C)(=O)=O)CC2)cc([N+](=O)[O-])c1N ZINC000365886637 555692797 /nfs/dbraw/zinc/69/27/97/555692797.db2.gz SDHDULZSIIIPQF-UHFFFAOYSA-N 1 2 353.444 2.009 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cn(C)nc1C ZINC000366095409 555749950 /nfs/dbraw/zinc/74/99/50/555749950.db2.gz LCQDKTBXQRWPRH-MRXNPFEDSA-N 1 2 373.413 2.421 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cn(C)nc1C ZINC000366095409 555749954 /nfs/dbraw/zinc/74/99/54/555749954.db2.gz LCQDKTBXQRWPRH-MRXNPFEDSA-N 1 2 373.413 2.421 20 5 FEBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC(=O)Nc2cccc3c2[C@@H]1CCC3 ZINC000366304735 555807380 /nfs/dbraw/zinc/80/73/80/555807380.db2.gz COGXMXLHXGNMIO-INIZCTEOSA-N 1 2 368.393 2.088 20 5 FEBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC(=O)Nc2cccc3c2[C@@H]1CCC3 ZINC000366304735 555807385 /nfs/dbraw/zinc/80/73/85/555807385.db2.gz COGXMXLHXGNMIO-INIZCTEOSA-N 1 2 368.393 2.088 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000367348271 556024064 /nfs/dbraw/zinc/02/40/64/556024064.db2.gz GYKKXLSIEZWHDV-JFIYKMOQSA-N 1 2 369.425 2.161 20 5 FEBDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000368187324 556242483 /nfs/dbraw/zinc/24/24/83/556242483.db2.gz FHZMVJJFXWNFEB-ZWKOTPCHSA-N 1 2 355.394 2.110 20 5 FEBDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000368187324 556242486 /nfs/dbraw/zinc/24/24/86/556242486.db2.gz FHZMVJJFXWNFEB-ZWKOTPCHSA-N 1 2 355.394 2.110 20 5 FEBDLO Cc1nc(N[C@@H](C[NH+]2CCN(C)CC2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000515594479 562016383 /nfs/dbraw/zinc/01/63/83/562016383.db2.gz HMUYQZSSDIUBEN-INIZCTEOSA-N 1 2 356.430 2.094 20 5 FEBDLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000369537019 556624539 /nfs/dbraw/zinc/62/45/39/556624539.db2.gz MTUGMLJPHBRAMD-RDTXWAMCSA-N 1 2 363.414 2.193 20 5 FEBDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000369537019 556624541 /nfs/dbraw/zinc/62/45/41/556624541.db2.gz MTUGMLJPHBRAMD-RDTXWAMCSA-N 1 2 363.414 2.193 20 5 FEBDLO CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)c1cc([N+](=O)[O-])cc(F)c1F ZINC000369594530 556641751 /nfs/dbraw/zinc/64/17/51/556641751.db2.gz JXXCJCGCCNONBU-JTQLQIEISA-N 1 2 350.325 2.404 20 5 FEBDLO Cc1cc(F)cc([C@@]2(F)CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000370238685 556819413 /nfs/dbraw/zinc/81/94/13/556819413.db2.gz NGKUJOLKFORXBM-DLBZAZTESA-N 1 2 366.368 2.170 20 5 FEBDLO Cc1cc(F)cc([C@@]2(F)CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000370238685 556819414 /nfs/dbraw/zinc/81/94/14/556819414.db2.gz NGKUJOLKFORXBM-DLBZAZTESA-N 1 2 366.368 2.170 20 5 FEBDLO COc1ccccc1[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1[nH+]ccn1C ZINC000370540300 556903685 /nfs/dbraw/zinc/90/36/85/556903685.db2.gz RLYHWWREAOPBEV-INIZCTEOSA-N 1 2 367.365 2.251 20 5 FEBDLO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc([N+](=O)[O-])cc(F)c1F ZINC000370549715 556905790 /nfs/dbraw/zinc/90/57/90/556905790.db2.gz PYQBPQSJRSDNHO-LSDHHAIUSA-N 1 2 369.368 2.246 20 5 FEBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000370961968 557028640 /nfs/dbraw/zinc/02/86/40/557028640.db2.gz YHNUTAMDRKISKL-CYBMUJFWSA-N 1 2 350.400 2.027 20 5 FEBDLO COc1cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c([N+](=O)[O-])cc1OC ZINC000371171202 557096050 /nfs/dbraw/zinc/09/60/50/557096050.db2.gz UBXYHWZOEIFKOB-UHFFFAOYSA-N 1 2 360.370 2.355 20 5 FEBDLO COc1cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c([N+](=O)[O-])cc1OC ZINC000371171202 557096055 /nfs/dbraw/zinc/09/60/55/557096055.db2.gz UBXYHWZOEIFKOB-UHFFFAOYSA-N 1 2 360.370 2.355 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000371498281 557201150 /nfs/dbraw/zinc/20/11/50/557201150.db2.gz UOCJUBVPULEBTR-JTQLQIEISA-N 1 2 366.324 2.446 20 5 FEBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000371843143 557309458 /nfs/dbraw/zinc/30/94/58/557309458.db2.gz RMJCQCZGHFLRQX-KRWDZBQOSA-N 1 2 356.361 2.442 20 5 FEBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000371843143 557309465 /nfs/dbraw/zinc/30/94/65/557309465.db2.gz RMJCQCZGHFLRQX-KRWDZBQOSA-N 1 2 356.361 2.442 20 5 FEBDLO COc1cc(NC[C@]2([NH+]3CCOCC3)CCCOC2)c([N+](=O)[O-])cc1F ZINC000372006638 557354219 /nfs/dbraw/zinc/35/42/19/557354219.db2.gz MNISGIYIWVRXLW-QGZVFWFLSA-N 1 2 369.393 2.036 20 5 FEBDLO Cc1cn2cc(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)ccc2[nH+]1 ZINC000518787393 562118406 /nfs/dbraw/zinc/11/84/06/562118406.db2.gz XXUGATKNQZMERN-UHFFFAOYSA-N 1 2 363.337 2.384 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000372361439 557450383 /nfs/dbraw/zinc/45/03/83/557450383.db2.gz ZFVIIWWUIMZZKQ-AWEZNQCLSA-N 1 2 359.386 2.076 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000372361439 557450386 /nfs/dbraw/zinc/45/03/86/557450386.db2.gz ZFVIIWWUIMZZKQ-AWEZNQCLSA-N 1 2 359.386 2.076 20 5 FEBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000373377564 557682430 /nfs/dbraw/zinc/68/24/30/557682430.db2.gz NZSFFYOMTZWIQN-UHFFFAOYSA-N 1 2 359.361 2.110 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCc3c4cccc(F)c4[nH]c3C2)c1 ZINC000374175810 557837635 /nfs/dbraw/zinc/83/76/35/557837635.db2.gz RQISFQUPKFWFCN-CYBMUJFWSA-N 1 2 373.388 2.221 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCc3c4cccc(F)c4[nH]c3C2)c1 ZINC000374175810 557837637 /nfs/dbraw/zinc/83/76/37/557837637.db2.gz RQISFQUPKFWFCN-CYBMUJFWSA-N 1 2 373.388 2.221 20 5 FEBDLO Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)cc1[N+](=O)[O-] ZINC000374354634 557870744 /nfs/dbraw/zinc/87/07/44/557870744.db2.gz YUUMAFOUKPPUGF-QGZVFWFLSA-N 1 2 361.442 2.410 20 5 FEBDLO Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)cc1[N+](=O)[O-] ZINC000374354634 557870745 /nfs/dbraw/zinc/87/07/45/557870745.db2.gz YUUMAFOUKPPUGF-QGZVFWFLSA-N 1 2 361.442 2.410 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375248970 557998238 /nfs/dbraw/zinc/99/82/38/557998238.db2.gz NIDINXKLHQGOGQ-CZUORRHYSA-N 1 2 370.409 2.387 20 5 FEBDLO O=C1CCCC(=O)N1C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000375326350 558009512 /nfs/dbraw/zinc/00/95/12/558009512.db2.gz DAJKTPNVJJQIQW-UHFFFAOYSA-N 1 2 372.381 2.240 20 5 FEBDLO Cc1nc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000375766774 558079355 /nfs/dbraw/zinc/07/93/55/558079355.db2.gz XVXVJYGEGBISFH-YPMHNXCESA-N 1 2 359.386 2.493 20 5 FEBDLO Cc1nc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000375766774 558079356 /nfs/dbraw/zinc/07/93/56/558079356.db2.gz XVXVJYGEGBISFH-YPMHNXCESA-N 1 2 359.386 2.493 20 5 FEBDLO C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@]2(CCCOC2)O1 ZINC000376019897 558114928 /nfs/dbraw/zinc/11/49/28/558114928.db2.gz CIZDUQYTHUCKKQ-SCLBCKFNSA-N 1 2 374.397 2.415 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@]2(CCCOC2)O1 ZINC000376019897 558114930 /nfs/dbraw/zinc/11/49/30/558114930.db2.gz CIZDUQYTHUCKKQ-SCLBCKFNSA-N 1 2 374.397 2.415 20 5 FEBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(Oc3cnccn3)CC2)c2c(c1)COCO2 ZINC000376032778 558116967 /nfs/dbraw/zinc/11/69/67/558116967.db2.gz PREHXXHQURONPV-UHFFFAOYSA-N 1 2 372.381 2.295 20 5 FEBDLO Cc1cc([C@H]2CCC[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)[nH]n1 ZINC000376489687 558179917 /nfs/dbraw/zinc/17/99/17/558179917.db2.gz DRWGNKOISNZJFG-HNNXBMFYSA-N 1 2 369.425 2.395 20 5 FEBDLO Cc1cc([C@H]2CCC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)[nH]n1 ZINC000376489687 558179919 /nfs/dbraw/zinc/17/99/19/558179919.db2.gz DRWGNKOISNZJFG-HNNXBMFYSA-N 1 2 369.425 2.395 20 5 FEBDLO Cc1cc([C@H]2CCC[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)n[nH]1 ZINC000376489687 558179921 /nfs/dbraw/zinc/17/99/21/558179921.db2.gz DRWGNKOISNZJFG-HNNXBMFYSA-N 1 2 369.425 2.395 20 5 FEBDLO Cc1cc([C@H]2CCC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)n[nH]1 ZINC000376489687 558179924 /nfs/dbraw/zinc/17/99/24/558179924.db2.gz DRWGNKOISNZJFG-HNNXBMFYSA-N 1 2 369.425 2.395 20 5 FEBDLO O=C(NC[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000376626317 558199639 /nfs/dbraw/zinc/19/96/39/558199639.db2.gz JRHOBNJVOMHWET-OAHLLOKOSA-N 1 2 370.409 2.337 20 5 FEBDLO O=C(NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000376626317 558199640 /nfs/dbraw/zinc/19/96/40/558199640.db2.gz JRHOBNJVOMHWET-OAHLLOKOSA-N 1 2 370.409 2.337 20 5 FEBDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000377294827 558308322 /nfs/dbraw/zinc/30/83/22/558308322.db2.gz WHAAVZPUAMXVMK-UHFFFAOYSA-N 1 2 356.429 2.010 20 5 FEBDLO Cn1c(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000522215575 562194511 /nfs/dbraw/zinc/19/45/11/562194511.db2.gz HMDOKUQYBWSUSL-VMPITWQZSA-N 1 2 354.410 2.405 20 5 FEBDLO Cn1c[nH+]cc1CNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 ZINC000377965259 558453669 /nfs/dbraw/zinc/45/36/69/558453669.db2.gz JYQVELCPBASKLT-AEFFLSMTSA-N 1 2 369.425 2.176 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000378264381 558514543 /nfs/dbraw/zinc/51/45/43/558514543.db2.gz KDIPOYLBEJYYOM-CYBMUJFWSA-N 1 2 364.427 2.123 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378628301 558597193 /nfs/dbraw/zinc/59/71/93/558597193.db2.gz SHMGKFDBWGHYCI-JTQLQIEISA-N 1 2 356.791 2.497 20 5 FEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000408040011 558641073 /nfs/dbraw/zinc/64/10/73/558641073.db2.gz BNQKHHLMJDPQNT-QWHCGFSZSA-N 1 2 355.460 2.315 20 5 FEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000408040011 558641074 /nfs/dbraw/zinc/64/10/74/558641074.db2.gz BNQKHHLMJDPQNT-QWHCGFSZSA-N 1 2 355.460 2.315 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000408181166 558654177 /nfs/dbraw/zinc/65/41/77/558654177.db2.gz ACOPTENQJASEEX-UONOGXRCSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000408181166 558654179 /nfs/dbraw/zinc/65/41/79/558654179.db2.gz ACOPTENQJASEEX-UONOGXRCSA-N 1 2 353.444 2.151 20 5 FEBDLO COC(=O)C1([NH2+]CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCCC1 ZINC000411412011 558890315 /nfs/dbraw/zinc/89/03/15/558890315.db2.gz ZCAOZAVXYYVKIY-UHFFFAOYSA-N 1 2 365.386 2.007 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000411526406 558911118 /nfs/dbraw/zinc/91/11/18/558911118.db2.gz DPAGBYGLBJHJKD-OAHLLOKOSA-N 1 2 371.397 2.151 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)c(Cl)c1 ZINC000411833331 558972682 /nfs/dbraw/zinc/97/26/82/558972682.db2.gz IKXJIKQCJUZVPU-UHFFFAOYSA-N 1 2 373.862 2.248 20 5 FEBDLO Cn1ncc2c1CCC[N@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000411862438 558978142 /nfs/dbraw/zinc/97/81/42/558978142.db2.gz YHUAPWCYVAHFTR-UHFFFAOYSA-N 1 2 354.370 2.327 20 5 FEBDLO Cn1ncc2c1CCC[N@@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000411862438 558978146 /nfs/dbraw/zinc/97/81/46/558978146.db2.gz YHUAPWCYVAHFTR-UHFFFAOYSA-N 1 2 354.370 2.327 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1csnn1 ZINC000412031299 559004088 /nfs/dbraw/zinc/00/40/88/559004088.db2.gz BWLMXBWCYMTECF-IUCAKERBSA-N 1 2 351.388 2.133 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)c1 ZINC000416029411 559289977 /nfs/dbraw/zinc/28/99/77/559289977.db2.gz PKNNUUCUTNIPHR-UHFFFAOYSA-N 1 2 365.430 2.176 20 5 FEBDLO C[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])c2cc(F)ccc2C[NH2+]1 ZINC000420457545 559488540 /nfs/dbraw/zinc/48/85/40/559488540.db2.gz ISMURJAEHQMAQN-NSHDSACASA-N 1 2 365.386 2.421 20 5 FEBDLO CC[N@@H+]1CCO[C@@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 ZINC000420485572 559489857 /nfs/dbraw/zinc/48/98/57/559489857.db2.gz AZADBCYYBPWVFJ-OAHLLOKOSA-N 1 2 357.370 2.443 20 5 FEBDLO CC[N@H+]1CCO[C@@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 ZINC000420485572 559489858 /nfs/dbraw/zinc/48/98/58/559489858.db2.gz AZADBCYYBPWVFJ-OAHLLOKOSA-N 1 2 357.370 2.443 20 5 FEBDLO CCc1cc(NCC2(CC(N)=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420609141 559493756 /nfs/dbraw/zinc/49/37/56/559493756.db2.gz IPNVKVASMKHRSF-UHFFFAOYSA-N 1 2 355.398 2.104 20 5 FEBDLO COC1([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCOCC1 ZINC000421727276 559550960 /nfs/dbraw/zinc/55/09/60/559550960.db2.gz VZWDIWXMYNUVOT-ZDUSSCGKSA-N 1 2 374.397 2.094 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@H](O)CC12CCC2 ZINC000422015470 559560644 /nfs/dbraw/zinc/56/06/44/559560644.db2.gz FLBLAKMUZDHKCV-AWEZNQCLSA-N 1 2 356.382 2.300 20 5 FEBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000428361554 559773846 /nfs/dbraw/zinc/77/38/46/559773846.db2.gz URLHDXPOLXHTDZ-SNVBAGLBSA-N 1 2 365.187 2.299 20 5 FEBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428367204 559774070 /nfs/dbraw/zinc/77/40/70/559774070.db2.gz PBEDNHHYLOWWAO-CMPLNLGQSA-N 1 2 364.789 2.343 20 5 FEBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432338132 559856683 /nfs/dbraw/zinc/85/66/83/559856683.db2.gz USYQJLZHZHFKGI-AWEZNQCLSA-N 1 2 371.441 2.180 20 5 FEBDLO CCN1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000432996206 559869548 /nfs/dbraw/zinc/86/95/48/559869548.db2.gz FNGLEHRSNVAOEO-CQSZACIVSA-N 1 2 363.805 2.490 20 5 FEBDLO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1O ZINC000436860582 559954690 /nfs/dbraw/zinc/95/46/90/559954690.db2.gz POFRQWBWSQJYAJ-UHFFFAOYSA-N 1 2 355.394 2.479 20 5 FEBDLO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1O ZINC000436860582 559954691 /nfs/dbraw/zinc/95/46/91/559954691.db2.gz 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COC(=O)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)CC(C)C ZINC000449939590 560245926 /nfs/dbraw/zinc/24/59/26/560245926.db2.gz JOBDDWMOOPXQDC-CQSZACIVSA-N 1 2 374.397 2.346 20 5 FEBDLO CCc1cc(NCC[C@@](C)(O)COC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450597487 560267468 /nfs/dbraw/zinc/26/74/68/560267468.db2.gz VJBXHZVKFKGLTR-GOSISDBHSA-N 1 2 360.414 2.236 20 5 FEBDLO CO[C@@H]1COCC[C@H]1CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450687863 560270087 /nfs/dbraw/zinc/27/00/87/560270087.db2.gz BMRHVRWWYMDDLT-GOEBONIOSA-N 1 2 358.398 2.246 20 5 FEBDLO COc1cc(-c2noc(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)n2)ncn1 ZINC000451103508 560287464 /nfs/dbraw/zinc/28/74/64/560287464.db2.gz OJXNITXJNNXDBI-JTQLQIEISA-N 1 2 356.342 2.294 20 5 FEBDLO CCOC(=O)[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC12COC2 ZINC000451130010 560288692 /nfs/dbraw/zinc/28/86/92/560288692.db2.gz DOBHHOGETUFIDR-LBPRGKRZSA-N 1 2 354.790 2.260 20 5 FEBDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC12COC2 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ZINC000535505701 562560072 /nfs/dbraw/zinc/56/00/72/562560072.db2.gz NTDPYTIOYLTXDN-AWEZNQCLSA-N 1 2 357.391 2.347 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCCc2[nH+]c3ccc(F)cc3n2C)n1 ZINC000569720391 568413822 /nfs/dbraw/zinc/41/38/22/568413822.db2.gz POYIZMVIGKUOJO-UHFFFAOYSA-N 1 2 373.344 2.457 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000561209714 674646917 /nfs/dbraw/zinc/64/69/17/674646917.db2.gz CUHWYTCSQOLMBM-UHFFFAOYSA-N 1 2 352.416 2.167 20 5 FEBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NCCNc1cccc[nH+]1 ZINC000815025859 674900828 /nfs/dbraw/zinc/90/08/28/674900828.db2.gz MFUPROVCVZFXRP-UHFFFAOYSA-N 1 2 374.781 2.173 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1 ZINC000815082818 674913954 /nfs/dbraw/zinc/91/39/54/674913954.db2.gz DAFSYTFZYDOJKR-PHIMTYICSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1 ZINC000815082818 674913956 /nfs/dbraw/zinc/91/39/56/674913956.db2.gz DAFSYTFZYDOJKR-PHIMTYICSA-N 1 2 361.851 2.270 20 5 FEBDLO CCCCN(C)C(=O)C1CC[NH+](Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000077446773 670564851 /nfs/dbraw/zinc/56/48/51/670564851.db2.gz ZWNDRUFFQRKTSF-UHFFFAOYSA-N 1 2 351.451 2.336 20 5 FEBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]cn1C ZINC000571455979 670877484 /nfs/dbraw/zinc/87/74/84/670877484.db2.gz FANBZPRMNSQDLC-UHFFFAOYSA-N 1 2 353.176 2.329 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000572757294 671041210 /nfs/dbraw/zinc/04/12/10/671041210.db2.gz IIOHXDIDLXBHJE-HNNXBMFYSA-N 1 2 361.423 2.253 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000572757294 671041214 /nfs/dbraw/zinc/04/12/14/671041214.db2.gz IIOHXDIDLXBHJE-HNNXBMFYSA-N 1 2 361.423 2.253 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609134785 675911456 /nfs/dbraw/zinc/91/14/56/675911456.db2.gz WZKILTYCTWQVCZ-CYBMUJFWSA-N 1 2 350.400 2.126 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609134773 675911463 /nfs/dbraw/zinc/91/14/63/675911463.db2.gz UANSBYNLOOMCJK-ZDUSSCGKSA-N 1 2 350.400 2.126 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000582544107 672011536 /nfs/dbraw/zinc/01/15/36/672011536.db2.gz SAZDWPRSPZIKDB-TZMCWYRMSA-N 1 2 351.403 2.430 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000582544107 672011541 /nfs/dbraw/zinc/01/15/41/672011541.db2.gz SAZDWPRSPZIKDB-TZMCWYRMSA-N 1 2 351.403 2.430 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cnc(C3CC3)o2)cc1 ZINC000582721032 672028340 /nfs/dbraw/zinc/02/83/40/672028340.db2.gz RPKRCYSMUMFTSP-UHFFFAOYSA-N 1 2 351.384 2.024 20 5 FEBDLO Cc1cc(F)cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000176717776 672376301 /nfs/dbraw/zinc/37/63/01/672376301.db2.gz FNPZZSBDPALNON-HNNXBMFYSA-N 1 2 353.394 2.129 20 5 FEBDLO CSC[C@H](CCO)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000611560930 676044439 /nfs/dbraw/zinc/04/44/39/676044439.db2.gz OJRBEKXCNMAISD-DZGCQCFKSA-N 1 2 350.444 2.121 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)c(C)cc1[N+](=O)[O-] ZINC000591325135 672669736 /nfs/dbraw/zinc/66/97/36/672669736.db2.gz BYLOWLFYPMWYHP-UHFFFAOYSA-N 1 2 353.444 2.070 20 5 FEBDLO C[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594106873 673032120 /nfs/dbraw/zinc/03/21/20/673032120.db2.gz BMEKQYYEYBFCBT-UTUOFQBUSA-N 1 2 355.822 2.476 20 5 FEBDLO C[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594106873 673032125 /nfs/dbraw/zinc/03/21/25/673032125.db2.gz BMEKQYYEYBFCBT-UTUOFQBUSA-N 1 2 355.822 2.476 20 5 FEBDLO C[C@@H]1[C@H](C)SCC[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000735666794 673499375 /nfs/dbraw/zinc/49/93/75/673499375.db2.gz FRQJWZGPNBRSAP-NEPJUHHUSA-N 1 2 364.427 2.147 20 5 FEBDLO C[C@@H]1[C@H](C)SCC[N@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000735666794 673499379 /nfs/dbraw/zinc/49/93/79/673499379.db2.gz FRQJWZGPNBRSAP-NEPJUHHUSA-N 1 2 364.427 2.147 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000598000499 673528999 /nfs/dbraw/zinc/52/89/99/673528999.db2.gz VGVWYCHUHMOMBU-VXGBXAGGSA-N 1 2 353.444 2.156 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000598000499 673529001 /nfs/dbraw/zinc/52/90/01/673529001.db2.gz VGVWYCHUHMOMBU-VXGBXAGGSA-N 1 2 353.444 2.156 20 5 FEBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1Cc2c[nH+]cn2C1 ZINC000598949650 673624834 /nfs/dbraw/zinc/62/48/34/673624834.db2.gz ZXSQNOSKFYYGGA-JTQLQIEISA-N 1 2 352.803 2.278 20 5 FEBDLO CC(C)[C@H](CNC(=O)CSc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000543123007 673626478 /nfs/dbraw/zinc/62/64/78/673626478.db2.gz RLGKGYXLCMCPEA-HNNXBMFYSA-N 1 2 367.471 2.160 20 5 FEBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000599691264 673706545 /nfs/dbraw/zinc/70/65/45/673706545.db2.gz COZIGONGDOWYQO-LLVKDONJSA-N 1 2 361.851 2.009 20 5 FEBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000599691264 673706547 /nfs/dbraw/zinc/70/65/47/673706547.db2.gz COZIGONGDOWYQO-LLVKDONJSA-N 1 2 361.851 2.009 20 5 FEBDLO Cn1cc(C[NH2+][C@H](CCO)c2ccccc2Br)c([N+](=O)[O-])n1 ZINC000602806213 673911317 /nfs/dbraw/zinc/91/13/17/673911317.db2.gz MMQDVPVEXKFTIA-CYBMUJFWSA-N 1 2 369.219 2.304 20 5 FEBDLO Cn1cc(C[N@@H+]2CCCN(c3cccc(F)c3F)CC2)c([N+](=O)[O-])n1 ZINC000602836226 673911912 /nfs/dbraw/zinc/91/19/12/673911912.db2.gz LOOLEIARBVUWPW-UHFFFAOYSA-N 1 2 351.357 2.319 20 5 FEBDLO Cn1cc(C[N@H+]2CCCN(c3cccc(F)c3F)CC2)c([N+](=O)[O-])n1 ZINC000602836226 673911915 /nfs/dbraw/zinc/91/19/15/673911915.db2.gz LOOLEIARBVUWPW-UHFFFAOYSA-N 1 2 351.357 2.319 20 5 FEBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000830162141 677028185 /nfs/dbraw/zinc/02/81/85/677028185.db2.gz GCHOBHZGSFLASR-CYBMUJFWSA-N 1 2 369.849 2.408 20 5 FEBDLO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cccc([N+](=O)[O-])c1Br ZINC000839589467 680764162 /nfs/dbraw/zinc/76/41/62/680764162.db2.gz MBWLVRONOVMPIH-PWSUYJOCSA-N 1 2 359.220 2.329 20 5 FEBDLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cccc([N+](=O)[O-])c1Br ZINC000839589467 680764163 /nfs/dbraw/zinc/76/41/63/680764163.db2.gz MBWLVRONOVMPIH-PWSUYJOCSA-N 1 2 359.220 2.329 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000839621919 680767370 /nfs/dbraw/zinc/76/73/70/680767370.db2.gz KKYIDAIXVWBNGT-UHFFFAOYSA-N 1 2 373.862 2.248 20 5 FEBDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000839719347 680774294 /nfs/dbraw/zinc/77/42/94/680774294.db2.gz PMRBNIFFGAUFIW-KAOXEZKKSA-N 1 2 355.797 2.396 20 5 FEBDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000839719347 680774296 /nfs/dbraw/zinc/77/42/96/680774296.db2.gz PMRBNIFFGAUFIW-KAOXEZKKSA-N 1 2 355.797 2.396 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000756839889 680500964 /nfs/dbraw/zinc/50/09/64/680500964.db2.gz WOMHNORFNOMMDT-UHFFFAOYSA-N 1 2 357.357 2.405 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000756839889 680500969 /nfs/dbraw/zinc/50/09/69/680500969.db2.gz WOMHNORFNOMMDT-UHFFFAOYSA-N 1 2 357.357 2.405 20 5 FEBDLO C[C@H](C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc([N+](=O)[O-])cc1F ZINC000767597784 680917976 /nfs/dbraw/zinc/91/79/76/680917976.db2.gz MOYARJFUGQOLJF-FPMFFAJLSA-N 1 2 352.362 2.244 20 5 FEBDLO C[C@H](C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc([N+](=O)[O-])cc1F ZINC000767597784 680917977 /nfs/dbraw/zinc/91/79/77/680917977.db2.gz MOYARJFUGQOLJF-FPMFFAJLSA-N 1 2 352.362 2.244 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000768562081 680950609 /nfs/dbraw/zinc/95/06/09/680950609.db2.gz MTTCJRRQUHEAHO-WDEREUQCSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000768562081 680950610 /nfs/dbraw/zinc/95/06/10/680950610.db2.gz MTTCJRRQUHEAHO-WDEREUQCSA-N 1 2 361.851 2.270 20 5 FEBDLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000842961371 680977447 /nfs/dbraw/zinc/97/74/47/680977447.db2.gz HQJLYECTOVVVFJ-YPMHNXCESA-N 1 2 372.805 2.141 20 5 FEBDLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000842961371 680977448 /nfs/dbraw/zinc/97/74/48/680977448.db2.gz HQJLYECTOVVVFJ-YPMHNXCESA-N 1 2 372.805 2.141 20 5 FEBDLO CC(C)(C)OC(=O)NCCC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000844752456 681079741 /nfs/dbraw/zinc/07/97/41/681079741.db2.gz MSPHNQOXKWGGFS-UHFFFAOYSA-N 1 2 353.423 2.376 20 5 FEBDLO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000776606319 681415540 /nfs/dbraw/zinc/41/55/40/681415540.db2.gz JRXYJWIBPUCCBY-OLZOCXBDSA-N 1 2 353.423 2.121 20 5 FEBDLO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000776606319 681415544 /nfs/dbraw/zinc/41/55/44/681415544.db2.gz JRXYJWIBPUCCBY-OLZOCXBDSA-N 1 2 353.423 2.121 20 5 FEBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000874707470 685450294 /nfs/dbraw/zinc/45/02/94/685450294.db2.gz LRRZRSQIQPUFRZ-CHWSQXEVSA-N 1 2 353.394 2.064 20 5 FEBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000874707470 685450296 /nfs/dbraw/zinc/45/02/96/685450296.db2.gz LRRZRSQIQPUFRZ-CHWSQXEVSA-N 1 2 353.394 2.064 20 5 FEBDLO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000778257415 681589971 /nfs/dbraw/zinc/58/99/71/681589971.db2.gz GXVUJDVEVMAVBJ-NSHDSACASA-N 1 2 358.383 2.273 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000779920080 681771247 /nfs/dbraw/zinc/77/12/47/681771247.db2.gz BIGFDOOKXATJIT-QWRGUYRKSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000779920080 681771250 /nfs/dbraw/zinc/77/12/50/681771250.db2.gz BIGFDOOKXATJIT-QWRGUYRKSA-N 1 2 361.851 2.270 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cn3nccc3[N+](=O)[O-])CC[C@@H]21 ZINC000793704884 682905336 /nfs/dbraw/zinc/90/53/36/682905336.db2.gz JVEKUGAKQLFNKB-OLZOCXBDSA-N 1 2 351.407 2.080 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cn3nccc3[N+](=O)[O-])CC[C@@H]21 ZINC000793704884 682905339 /nfs/dbraw/zinc/90/53/39/682905339.db2.gz JVEKUGAKQLFNKB-OLZOCXBDSA-N 1 2 351.407 2.080 20 5 FEBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cccc([N+](=O)[O-])c1Br ZINC000857961767 682927687 /nfs/dbraw/zinc/92/76/87/682927687.db2.gz DXMGKAOQDPNYLI-SECBINFHSA-N 1 2 365.187 2.299 20 5 FEBDLO COc1cc(C(=O)NCc2nc(C[NH+](C)C)cs2)c([N+](=O)[O-])cc1F ZINC000927764683 683307161 /nfs/dbraw/zinc/30/71/61/683307161.db2.gz GATJEAQSYLBTKN-UHFFFAOYSA-N 1 2 368.390 2.191 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927767331 683308825 /nfs/dbraw/zinc/30/88/25/683308825.db2.gz XZZCJKMTSBJJLF-UHFFFAOYSA-N 1 2 350.400 2.052 20 5 FEBDLO C[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000920314041 683333688 /nfs/dbraw/zinc/33/36/88/683333688.db2.gz UIAORYLFKJYHRB-LLVKDONJSA-N 1 2 361.851 2.401 20 5 FEBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000928635117 683478910 /nfs/dbraw/zinc/47/89/10/683478910.db2.gz IWDGAXJICNZCLJ-AWEZNQCLSA-N 1 2 369.849 2.408 20 5 FEBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000928641594 683480022 /nfs/dbraw/zinc/48/00/22/683480022.db2.gz QLPQUOVSOCRLNS-CYBMUJFWSA-N 1 2 355.822 2.018 20 5 FEBDLO CC1CC(C[NH+]2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)C1 ZINC000929146016 683552166 /nfs/dbraw/zinc/55/21/66/683552166.db2.gz KYTCWSQQWMZYSV-UHFFFAOYSA-N 1 2 367.471 2.166 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925245553 684543658 /nfs/dbraw/zinc/54/36/58/684543658.db2.gz GHTYSUQMYYGUTK-MGPQQGTHSA-N 1 2 350.419 2.064 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925245553 684543663 /nfs/dbraw/zinc/54/36/63/684543663.db2.gz GHTYSUQMYYGUTK-MGPQQGTHSA-N 1 2 350.419 2.064 20 5 FEBDLO COc1c(O)ccc(C[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000894123615 689471277 /nfs/dbraw/zinc/47/12/77/689471277.db2.gz CAKCWCMFEITPBM-GFCCVEGCSA-N 1 2 352.387 2.079 20 5 FEBDLO COc1c(O)ccc(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000894123615 689471279 /nfs/dbraw/zinc/47/12/79/689471279.db2.gz CAKCWCMFEITPBM-GFCCVEGCSA-N 1 2 352.387 2.079 20 5 FEBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1)OCCO2 ZINC000895845118 689779554 /nfs/dbraw/zinc/77/95/54/689779554.db2.gz NDRPZSRSEAKQSZ-CQSZACIVSA-N 1 2 362.304 2.113 20 5 FEBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1)OCCO2 ZINC000895845118 689779558 /nfs/dbraw/zinc/77/95/58/689779558.db2.gz NDRPZSRSEAKQSZ-CQSZACIVSA-N 1 2 362.304 2.113 20 5 FEBDLO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000903100435 690844040 /nfs/dbraw/zinc/84/40/40/690844040.db2.gz RVNGAURGMWQMTI-DOMZBBRYSA-N 1 2 369.805 2.067 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908145623 691624605 /nfs/dbraw/zinc/62/46/05/691624605.db2.gz NYBRQHXHZHPXRL-JQWIXIFHSA-N 1 2 371.796 2.323 20 5 FEBDLO C[C@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000015051676 539610197 /nfs/dbraw/zinc/61/01/97/539610197.db2.gz KXUOZKMIARVOGE-IRXDYDNUSA-N 1 2 374.485 2.217 20 5 FEBDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000015051676 539610201 /nfs/dbraw/zinc/61/02/01/539610201.db2.gz KXUOZKMIARVOGE-IRXDYDNUSA-N 1 2 374.485 2.217 20 5 FEBDLO CN(C)C(=O)c1ccc(NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000026347411 539785065 /nfs/dbraw/zinc/78/50/65/539785065.db2.gz CUZBKBSGCZHMBC-UHFFFAOYSA-N 1 2 370.409 2.367 20 5 FEBDLO CN(C)C(=O)c1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000026347411 539785068 /nfs/dbraw/zinc/78/50/68/539785068.db2.gz CUZBKBSGCZHMBC-UHFFFAOYSA-N 1 2 370.409 2.367 20 5 FEBDLO C[N@H+](CC(=O)NC(=O)NCc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000026346763 539785093 /nfs/dbraw/zinc/78/50/93/539785093.db2.gz DKGHBQBHFWXIGB-UHFFFAOYSA-N 1 2 356.382 2.053 20 5 FEBDLO C[N@@H+](CC(=O)NC(=O)NCc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000026346763 539785097 /nfs/dbraw/zinc/78/50/97/539785097.db2.gz DKGHBQBHFWXIGB-UHFFFAOYSA-N 1 2 356.382 2.053 20 5 FEBDLO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc2c(c1)OCO2 ZINC000027364705 539806186 /nfs/dbraw/zinc/80/61/86/539806186.db2.gz YRKOKTVBWHVMPZ-UHFFFAOYSA-N 1 2 369.377 2.345 20 5 FEBDLO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc2c(c1)OCO2 ZINC000027364705 539806188 /nfs/dbraw/zinc/80/61/88/539806188.db2.gz YRKOKTVBWHVMPZ-UHFFFAOYSA-N 1 2 369.377 2.345 20 5 FEBDLO O=C(C[NH+]1CCC2(CC1)OCCO2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000028076807 539826114 /nfs/dbraw/zinc/82/61/14/539826114.db2.gz OEMRIGCONMLCOG-UHFFFAOYSA-N 1 2 355.778 2.026 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000029914962 539868307 /nfs/dbraw/zinc/86/83/07/539868307.db2.gz MYHPUTANKQBXTK-UHFFFAOYSA-N 1 2 353.338 2.114 20 5 FEBDLO O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000030698969 539890072 /nfs/dbraw/zinc/89/00/72/539890072.db2.gz SXDCWEZRPWGDCE-SFHVURJKSA-N 1 2 355.394 2.398 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000038630100 539999654 /nfs/dbraw/zinc/99/96/54/539999654.db2.gz POMZMQLQOLNTMH-CYBMUJFWSA-N 1 2 353.400 2.077 20 5 FEBDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000046918919 540276658 /nfs/dbraw/zinc/27/66/58/540276658.db2.gz RCLGWXNYYYFYML-UHFFFAOYSA-N 1 2 357.370 2.148 20 5 FEBDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000047743745 540327093 /nfs/dbraw/zinc/32/70/93/540327093.db2.gz BVPUVWREULUHAB-HOTGVXAUSA-N 1 2 360.458 2.221 20 5 FEBDLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1csc([N+](=O)[O-])c1 ZINC000052567079 540474664 /nfs/dbraw/zinc/47/46/64/540474664.db2.gz PKRDZLHQDBJVAT-UHFFFAOYSA-N 1 2 360.439 2.208 20 5 FEBDLO COCc1cccc(CNC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000052589823 540476104 /nfs/dbraw/zinc/47/61/04/540476104.db2.gz BGIJHXAKPGWRBV-UHFFFAOYSA-N 1 2 357.410 2.489 20 5 FEBDLO COCc1cccc(CNC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000052589823 540476107 /nfs/dbraw/zinc/47/61/07/540476107.db2.gz BGIJHXAKPGWRBV-UHFFFAOYSA-N 1 2 357.410 2.489 20 5 FEBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000054644986 540599590 /nfs/dbraw/zinc/59/95/90/540599590.db2.gz DBFXZLSFQBSODR-UHFFFAOYSA-N 1 2 369.425 2.060 20 5 FEBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccn2)CC1 ZINC000055070434 540626319 /nfs/dbraw/zinc/62/63/19/540626319.db2.gz UDZFVDVRVZFEKZ-UHFFFAOYSA-N 1 2 370.409 2.103 20 5 FEBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)NCc1cccnc1-n1cc[nH+]c1 ZINC000056459315 540727907 /nfs/dbraw/zinc/72/79/07/540727907.db2.gz KQTQTMVUXMJGJR-UHFFFAOYSA-N 1 2 352.354 2.175 20 5 FEBDLO Cc1noc(C)c1CN1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065544774 541244937 /nfs/dbraw/zinc/24/49/37/541244937.db2.gz AEXWEYSLMYNZTO-UHFFFAOYSA-N 1 2 360.414 2.396 20 5 FEBDLO Cc1noc(C)c1C[NH+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065544774 541244940 /nfs/dbraw/zinc/24/49/40/541244940.db2.gz AEXWEYSLMYNZTO-UHFFFAOYSA-N 1 2 360.414 2.396 20 5 FEBDLO Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1C(N)=O ZINC000066443170 541319304 /nfs/dbraw/zinc/31/93/04/541319304.db2.gz JXERZKIINVJQCB-UHFFFAOYSA-N 1 2 365.349 2.440 20 5 FEBDLO CC(C)c1cc(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc[nH+]1 ZINC000544448249 541769658 /nfs/dbraw/zinc/76/96/58/541769658.db2.gz OZTQBVVCRLBJIR-UHFFFAOYSA-N 1 2 350.400 2.394 20 5 FEBDLO CCCNC(=O)C[N@H+](CCC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000076795102 542321711 /nfs/dbraw/zinc/32/17/11/542321711.db2.gz IGXIYDAQOVKYRF-UHFFFAOYSA-N 1 2 361.402 2.383 20 5 FEBDLO CCCNC(=O)C[N@@H+](CCC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000076795102 542321715 /nfs/dbraw/zinc/32/17/15/542321715.db2.gz IGXIYDAQOVKYRF-UHFFFAOYSA-N 1 2 361.402 2.383 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[S@@](=O)[C@H](C)[C@@H]1C ZINC000076817334 542323809 /nfs/dbraw/zinc/32/38/09/542323809.db2.gz KOGJYLWPYHNFQJ-TXNHMLTKSA-N 1 2 353.444 2.073 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[S@@](=O)[C@H](C)[C@@H]1C ZINC000076817334 542323811 /nfs/dbraw/zinc/32/38/11/542323811.db2.gz KOGJYLWPYHNFQJ-TXNHMLTKSA-N 1 2 353.444 2.073 20 5 FEBDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000081004651 542622722 /nfs/dbraw/zinc/62/27/22/542622722.db2.gz CCSDMOBLADOPBX-UHFFFAOYSA-N 1 2 358.398 2.218 20 5 FEBDLO CCOC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000081004651 542622725 /nfs/dbraw/zinc/62/27/25/542622725.db2.gz CCSDMOBLADOPBX-UHFFFAOYSA-N 1 2 358.398 2.218 20 5 FEBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000087066836 542741495 /nfs/dbraw/zinc/74/14/95/542741495.db2.gz AFCLKIZYXXZSPT-UHFFFAOYSA-N 1 2 351.366 2.425 20 5 FEBDLO CCO[C@H](C)c1nc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cs1 ZINC000090550896 542785851 /nfs/dbraw/zinc/78/58/51/542785851.db2.gz TZHRCQOUXPCFSP-GFCCVEGCSA-N 1 2 366.443 2.443 20 5 FEBDLO CCO[C@H](C)c1nc(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cs1 ZINC000090550896 542785853 /nfs/dbraw/zinc/78/58/53/542785853.db2.gz TZHRCQOUXPCFSP-GFCCVEGCSA-N 1 2 366.443 2.443 20 5 FEBDLO Cn1nncc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000093015324 542902335 /nfs/dbraw/zinc/90/23/35/542902335.db2.gz YJTLMPZPZMUKJN-UHFFFAOYSA-N 1 2 370.335 2.064 20 5 FEBDLO CCOCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000093317122 542925928 /nfs/dbraw/zinc/92/59/28/542925928.db2.gz PGSWYAWQTUYVJO-UHFFFAOYSA-N 1 2 360.208 2.264 20 5 FEBDLO CCOCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000093317122 542925930 /nfs/dbraw/zinc/92/59/30/542925930.db2.gz PGSWYAWQTUYVJO-UHFFFAOYSA-N 1 2 360.208 2.264 20 5 FEBDLO CCc1nn(C)c(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000094134013 542953706 /nfs/dbraw/zinc/95/37/06/542953706.db2.gz HSPPQTHWOHEUPP-INIZCTEOSA-N 1 2 359.430 2.376 20 5 FEBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858767 543541503 /nfs/dbraw/zinc/54/15/03/543541503.db2.gz JMDJNGWTLKIYMX-IUODEOHRSA-N 1 2 365.455 2.055 20 5 FEBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114858767 543541506 /nfs/dbraw/zinc/54/15/06/543541506.db2.gz JMDJNGWTLKIYMX-IUODEOHRSA-N 1 2 365.455 2.055 20 5 FEBDLO CN(C)c1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000121128309 543689349 /nfs/dbraw/zinc/68/93/49/543689349.db2.gz LZEQDNYYJGDYDA-UHFFFAOYSA-N 1 2 352.354 2.494 20 5 FEBDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000124012381 543796015 /nfs/dbraw/zinc/79/60/15/543796015.db2.gz DNAMAPVEXMJYFD-NXEZZACHSA-N 1 2 359.835 2.152 20 5 FEBDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000124012381 543796017 /nfs/dbraw/zinc/79/60/17/543796017.db2.gz DNAMAPVEXMJYFD-NXEZZACHSA-N 1 2 359.835 2.152 20 5 FEBDLO C[C@H]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000134065456 544292800 /nfs/dbraw/zinc/29/28/00/544292800.db2.gz QQBNQTLEGWMTQH-ZBEGNZNMSA-N 1 2 354.370 2.115 20 5 FEBDLO C[C@@H]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000134065250 544293069 /nfs/dbraw/zinc/29/30/69/544293069.db2.gz QQBNQTLEGWMTQH-BZNIZROVSA-N 1 2 354.370 2.115 20 5 FEBDLO CN(C)c1[nH+]cccc1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000134276676 544300867 /nfs/dbraw/zinc/30/08/67/544300867.db2.gz XAYFMBSMNVQWDS-UHFFFAOYSA-N 1 2 366.381 2.172 20 5 FEBDLO CN(C(=O)C[N@H+](C)[C@@H]1CCCc2c1cnn2C)c1ccc([N+](=O)[O-])cc1 ZINC000135596734 544355392 /nfs/dbraw/zinc/35/53/92/544355392.db2.gz KBXLPWPFBMONFX-MRXNPFEDSA-N 1 2 357.414 2.301 20 5 FEBDLO CN(C(=O)C[N@@H+](C)[C@@H]1CCCc2c1cnn2C)c1ccc([N+](=O)[O-])cc1 ZINC000135596734 544355393 /nfs/dbraw/zinc/35/53/93/544355393.db2.gz KBXLPWPFBMONFX-MRXNPFEDSA-N 1 2 357.414 2.301 20 5 FEBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCc1cn2ccccc2[nH+]1 ZINC000146520172 544439607 /nfs/dbraw/zinc/43/96/07/544439607.db2.gz YNBDNSWTBRDKCF-UHFFFAOYSA-N 1 2 366.786 2.374 20 5 FEBDLO O=C(C[N@@H+](CCO)Cc1cccnc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000152325622 544639429 /nfs/dbraw/zinc/63/94/29/544639429.db2.gz MAXDUDLDHWCJGL-UHFFFAOYSA-N 1 2 364.789 2.076 20 5 FEBDLO O=C(C[N@H+](CCO)Cc1cccnc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000152325622 544639431 /nfs/dbraw/zinc/63/94/31/544639431.db2.gz MAXDUDLDHWCJGL-UHFFFAOYSA-N 1 2 364.789 2.076 20 5 FEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000154458365 544908904 /nfs/dbraw/zinc/90/89/04/544908904.db2.gz ASIJRCPPNFJSGA-AQNXPRMDSA-N 1 2 372.421 2.453 20 5 FEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000154458365 544908907 /nfs/dbraw/zinc/90/89/07/544908907.db2.gz ASIJRCPPNFJSGA-AQNXPRMDSA-N 1 2 372.421 2.453 20 5 FEBDLO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000180601483 327693122 /nfs/dbraw/zinc/69/31/22/327693122.db2.gz YVUBQGYNIPZIBF-UHFFFAOYSA-N 1 2 356.382 2.262 20 5 FEBDLO C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000184652417 327877289 /nfs/dbraw/zinc/87/72/89/327877289.db2.gz HPSJOWZWMQOFQC-NEPJUHHUSA-N 1 2 370.837 2.157 20 5 FEBDLO O=C(NCCCNc1cccc[nH+]1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188681020 328104004 /nfs/dbraw/zinc/10/40/04/328104004.db2.gz HWWXFAWBNKDSTR-UHFFFAOYSA-N 1 2 371.397 2.265 20 5 FEBDLO COc1cc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c([N+](=O)[O-])cc1F ZINC000189285555 328139062 /nfs/dbraw/zinc/13/90/62/328139062.db2.gz CBTHNTVTFHQYHB-UHFFFAOYSA-N 1 2 351.378 2.187 20 5 FEBDLO COc1cc(C[N@H+]2CCCN(C(=O)C3CC3)CC2)c([N+](=O)[O-])cc1F ZINC000189285555 328139064 /nfs/dbraw/zinc/13/90/64/328139064.db2.gz CBTHNTVTFHQYHB-UHFFFAOYSA-N 1 2 351.378 2.187 20 5 FEBDLO CCN(C[C@H](O)C(F)(F)F)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000189808125 328169189 /nfs/dbraw/zinc/16/91/89/328169189.db2.gz XPPBLAHZJIHRHA-ZDUSSCGKSA-N 1 2 372.303 2.166 20 5 FEBDLO COc1cc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cc([N+](=O)[O-])c1C ZINC000191244815 328255899 /nfs/dbraw/zinc/25/58/99/328255899.db2.gz RTXUFMHWECRWLP-UHFFFAOYSA-N 1 2 370.409 2.265 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000191865032 328285772 /nfs/dbraw/zinc/28/57/72/328285772.db2.gz YUKJGNCHLVZHIG-AWEZNQCLSA-N 1 2 367.427 2.386 20 5 FEBDLO Nc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3cn4ccccc4n3)CC2)c1 ZINC000192768660 328338703 /nfs/dbraw/zinc/33/87/03/328338703.db2.gz LTZANBVRGYFHOX-UHFFFAOYSA-N 1 2 352.398 2.147 20 5 FEBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000192860233 328343900 /nfs/dbraw/zinc/34/39/00/328343900.db2.gz XBPQDUGHZTVOPW-UHFFFAOYSA-N 1 2 362.411 2.069 20 5 FEBDLO COC(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000016517275 324385851 /nfs/dbraw/zinc/38/58/51/324385851.db2.gz HHTGCJJZRGGKHP-UHFFFAOYSA-N 1 2 355.778 2.072 20 5 FEBDLO CN(CC(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000079474337 325092502 /nfs/dbraw/zinc/09/25/02/325092502.db2.gz GMELYJHHEOSFOG-UHFFFAOYSA-N 1 2 369.425 2.343 20 5 FEBDLO CC(C)C(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000108181975 325638429 /nfs/dbraw/zinc/63/84/29/325638429.db2.gz RJTPQUKBKBTLRC-ZDUSSCGKSA-N 1 2 362.430 2.158 20 5 FEBDLO COc1cccc(NC(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118866825 326109986 /nfs/dbraw/zinc/10/99/86/326109986.db2.gz PVHVPJXKGGGTJG-CQSZACIVSA-N 1 2 371.397 2.123 20 5 FEBDLO COc1cccc(NC(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118866825 326109988 /nfs/dbraw/zinc/10/99/88/326109988.db2.gz PVHVPJXKGGGTJG-CQSZACIVSA-N 1 2 371.397 2.123 20 5 FEBDLO O=[N+]([O-])c1ccc(CCNc2[nH+]cnc3c2cnn3-c2ncccn2)cc1 ZINC000119097479 326127051 /nfs/dbraw/zinc/12/70/51/326127051.db2.gz VHPZGXMATXOFBK-UHFFFAOYSA-N 1 2 362.353 2.168 20 5 FEBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000119165903 326133201 /nfs/dbraw/zinc/13/32/01/326133201.db2.gz FUQLYIHHHMERLB-LBPRGKRZSA-N 1 2 368.397 2.300 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161184387 326990997 /nfs/dbraw/zinc/99/09/97/326990997.db2.gz WYKROQZKDNAGSK-HNNXBMFYSA-N 1 2 369.425 2.135 20 5 FEBDLO C[N@H+](CC(=O)N1CCOCC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000162344102 327023351 /nfs/dbraw/zinc/02/33/51/327023351.db2.gz SNNRHVLQIYMNFS-UHFFFAOYSA-N 1 2 359.382 2.145 20 5 FEBDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000162344102 327023352 /nfs/dbraw/zinc/02/33/52/327023352.db2.gz SNNRHVLQIYMNFS-UHFFFAOYSA-N 1 2 359.382 2.145 20 5 FEBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(OCCO)CC1 ZINC000162457116 327026298 /nfs/dbraw/zinc/02/62/98/327026298.db2.gz DAJQIIAWOPLIIT-UHFFFAOYSA-N 1 2 359.220 2.331 20 5 FEBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171024028 327113254 /nfs/dbraw/zinc/11/32/54/327113254.db2.gz XAHZJLAXAHGMEC-UHFFFAOYSA-N 1 2 360.439 2.328 20 5 FEBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171024028 327113255 /nfs/dbraw/zinc/11/32/55/327113255.db2.gz XAHZJLAXAHGMEC-UHFFFAOYSA-N 1 2 360.439 2.328 20 5 FEBDLO CC(C)(O)C[NH+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000171653785 327152268 /nfs/dbraw/zinc/15/22/68/327152268.db2.gz ZRNNYRSLDXHJNL-UHFFFAOYSA-N 1 2 363.439 2.338 20 5 FEBDLO Cc1n[nH]c(C)c1NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174245672 327315297 /nfs/dbraw/zinc/31/52/97/327315297.db2.gz ZECMLYMPUUKIMM-UHFFFAOYSA-N 1 2 373.413 2.417 20 5 FEBDLO CSc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000174473565 327329196 /nfs/dbraw/zinc/32/91/96/327329196.db2.gz NIDYZTGTOUOXEP-CQSZACIVSA-N 1 2 365.455 2.254 20 5 FEBDLO Cc1ccc([C@@H](C)NC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000175547628 327398941 /nfs/dbraw/zinc/39/89/41/327398941.db2.gz NWARQDRNGDPWSO-CQSZACIVSA-N 1 2 364.446 2.374 20 5 FEBDLO Cc1ccc(S(=O)(=O)Nc2cc(C[NH+](C)C)ccn2)cc1[N+](=O)[O-] ZINC000176422728 327454993 /nfs/dbraw/zinc/45/49/93/327454993.db2.gz KPIYRCOSFIOFBX-UHFFFAOYSA-N 1 2 350.400 2.161 20 5 FEBDLO Cn1cc[nH+]c1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266516729 329231751 /nfs/dbraw/zinc/23/17/51/329231751.db2.gz MZRBNYAVLZAXKD-UHFFFAOYSA-N 1 2 359.386 2.081 20 5 FEBDLO C[C@@H](NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000271688258 329715804 /nfs/dbraw/zinc/71/58/04/329715804.db2.gz LHNZTVNMNLXDMH-HZSPNIEDSA-N 1 2 350.419 2.064 20 5 FEBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000273488063 329868768 /nfs/dbraw/zinc/86/87/68/329868768.db2.gz RVMGFHZUHOQXLT-CYBMUJFWSA-N 1 2 352.366 2.062 20 5 FEBDLO O=[N+]([O-])c1cnc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)nc1 ZINC000274032286 329909984 /nfs/dbraw/zinc/90/99/84/329909984.db2.gz XCQZBXKJFMZVFN-UHFFFAOYSA-N 1 2 350.382 2.387 20 5 FEBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000155815368 545572006 /nfs/dbraw/zinc/57/20/06/545572006.db2.gz KMNYSVFPOSAHSB-AWEZNQCLSA-N 1 2 350.400 2.375 20 5 FEBDLO Cc1nc(C2CC[NH+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000156850886 545669081 /nfs/dbraw/zinc/66/90/81/545669081.db2.gz HFSVNZLLQYUMOB-UHFFFAOYSA-N 1 2 359.386 2.129 20 5 FEBDLO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCS(=O)(=O)C1 ZINC000157594418 545759316 /nfs/dbraw/zinc/75/93/16/545759316.db2.gz KKNYCRHPLQFLSZ-GFCCVEGCSA-N 1 2 350.396 2.474 20 5 FEBDLO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCS(=O)(=O)C1 ZINC000157594418 545759323 /nfs/dbraw/zinc/75/93/23/545759323.db2.gz KKNYCRHPLQFLSZ-GFCCVEGCSA-N 1 2 350.396 2.474 20 5 FEBDLO O=C(NCCCOC1CCOCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172686181 546264501 /nfs/dbraw/zinc/26/45/01/546264501.db2.gz STDAMRFJPVBXCD-UHFFFAOYSA-N 1 2 374.397 2.096 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000176218138 546420508 /nfs/dbraw/zinc/42/05/08/546420508.db2.gz VQTNQZRKRLUFHK-UHFFFAOYSA-N 1 2 350.419 2.444 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000176218138 546420510 /nfs/dbraw/zinc/42/05/10/546420510.db2.gz VQTNQZRKRLUFHK-UHFFFAOYSA-N 1 2 350.419 2.444 20 5 FEBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000178466539 546799652 /nfs/dbraw/zinc/79/96/52/546799652.db2.gz VIBQDEZQSPSPMP-UHFFFAOYSA-N 1 2 371.397 2.457 20 5 FEBDLO CN(C(=O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178838137 546859077 /nfs/dbraw/zinc/85/90/77/546859077.db2.gz BFHIQFCONHADTH-ZDUSSCGKSA-N 1 2 363.414 2.221 20 5 FEBDLO CN(C(=O)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178838137 546859080 /nfs/dbraw/zinc/85/90/80/546859080.db2.gz BFHIQFCONHADTH-ZDUSSCGKSA-N 1 2 363.414 2.221 20 5 FEBDLO CN(C)c1[nH+]cccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000179247553 546919629 /nfs/dbraw/zinc/91/96/29/546919629.db2.gz CXTQDIDFMRLOBC-UHFFFAOYSA-N 1 2 352.354 2.494 20 5 FEBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC2)c1 ZINC000180599294 547139425 /nfs/dbraw/zinc/13/94/25/547139425.db2.gz VOSDBJBDNMXVTP-UHFFFAOYSA-N 1 2 354.410 2.443 20 5 FEBDLO C[NH+]1CCN([C@@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000182088432 547435385 /nfs/dbraw/zinc/43/53/85/547435385.db2.gz ACBSWSFSXAPJDU-GOSISDBHSA-N 1 2 370.409 2.228 20 5 FEBDLO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000484830592 561306618 /nfs/dbraw/zinc/30/66/18/561306618.db2.gz BVYHRWJODYAAQY-DAXSKMNVSA-N 1 2 368.393 2.167 20 5 FEBDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000485419099 561318854 /nfs/dbraw/zinc/31/88/54/561318854.db2.gz IVQFRMQMNDCHNT-HNNXBMFYSA-N 1 2 359.386 2.030 20 5 FEBDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000485419099 561318855 /nfs/dbraw/zinc/31/88/55/561318855.db2.gz IVQFRMQMNDCHNT-HNNXBMFYSA-N 1 2 359.386 2.030 20 5 FEBDLO Cc1cc(NCc2ccc(C)n(C)c2=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000486017935 561335364 /nfs/dbraw/zinc/33/53/64/561335364.db2.gz QVJFBRVAUNJRTK-UHFFFAOYSA-N 1 2 365.393 2.401 20 5 FEBDLO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](c2ccc(F)cc2)O1 ZINC000245582162 548951311 /nfs/dbraw/zinc/95/13/11/548951311.db2.gz JTKCNMNAKZTMIP-GUYCJALGSA-N 1 2 361.373 2.358 20 5 FEBDLO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](c2ccc(F)cc2)O1 ZINC000245582162 548951313 /nfs/dbraw/zinc/95/13/13/548951313.db2.gz JTKCNMNAKZTMIP-GUYCJALGSA-N 1 2 361.373 2.358 20 5 FEBDLO O=[N+]([O-])c1cnc2ccccc2c1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000488097778 561383470 /nfs/dbraw/zinc/38/34/70/561383470.db2.gz AOZBWVGGIXQGEV-GOSISDBHSA-N 1 2 374.466 2.185 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000246219163 549081603 /nfs/dbraw/zinc/08/16/03/549081603.db2.gz ZICJQOIABASFOW-RDDDGLTNSA-N 1 2 369.727 2.430 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000246219163 549081607 /nfs/dbraw/zinc/08/16/07/549081607.db2.gz ZICJQOIABASFOW-RDDDGLTNSA-N 1 2 369.727 2.430 20 5 FEBDLO Cc1ccc(NCCCNC(=O)N[C@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000488565560 561392078 /nfs/dbraw/zinc/39/20/78/561392078.db2.gz MSLGHOBJHDBLKG-AWEZNQCLSA-N 1 2 372.429 2.216 20 5 FEBDLO COCC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCO[C@H]1C ZINC000489468285 561412123 /nfs/dbraw/zinc/41/21/23/561412123.db2.gz XJIQYNRXOJLDHP-FZMZJTMJSA-N 1 2 371.821 2.313 20 5 FEBDLO COCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCO[C@H]1C ZINC000489468285 561412124 /nfs/dbraw/zinc/41/21/24/561412124.db2.gz XJIQYNRXOJLDHP-FZMZJTMJSA-N 1 2 371.821 2.313 20 5 FEBDLO CCCC(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000263696869 549921630 /nfs/dbraw/zinc/92/16/30/549921630.db2.gz HXUGUPNJMWEKBE-CQSZACIVSA-N 1 2 362.430 2.162 20 5 FEBDLO CCCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000263696869 549921633 /nfs/dbraw/zinc/92/16/33/549921633.db2.gz HXUGUPNJMWEKBE-CQSZACIVSA-N 1 2 362.430 2.162 20 5 FEBDLO O=[N+]([O-])c1c(N2CCC[N@H+](Cc3cscn3)CC2)nc2sccn21 ZINC000263877341 549949531 /nfs/dbraw/zinc/94/95/31/549949531.db2.gz JBTUVAPYCAOPMW-UHFFFAOYSA-N 1 2 364.456 2.473 20 5 FEBDLO O=[N+]([O-])c1c(N2CCC[N@@H+](Cc3cscn3)CC2)nc2sccn21 ZINC000263877341 549949534 /nfs/dbraw/zinc/94/95/34/549949534.db2.gz JBTUVAPYCAOPMW-UHFFFAOYSA-N 1 2 364.456 2.473 20 5 FEBDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1cc(Br)ccc1[N+](=O)[O-] ZINC000268798044 550117319 /nfs/dbraw/zinc/11/73/19/550117319.db2.gz IIBLIWVNWVRHPZ-LLVKDONJSA-N 1 2 357.252 2.405 20 5 FEBDLO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000492516578 561451601 /nfs/dbraw/zinc/45/16/01/561451601.db2.gz VLMCNNJECHIMGY-AWEZNQCLSA-N 1 2 356.444 2.393 20 5 FEBDLO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000492516578 561451602 /nfs/dbraw/zinc/45/16/02/561451602.db2.gz VLMCNNJECHIMGY-AWEZNQCLSA-N 1 2 356.444 2.393 20 5 FEBDLO CCOC(=O)CCCNC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269084993 550152849 /nfs/dbraw/zinc/15/28/49/550152849.db2.gz HKHUUGFMATZJGY-UHFFFAOYSA-N 1 2 363.414 2.019 20 5 FEBDLO CCOC(=O)CCCNC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269084993 550152850 /nfs/dbraw/zinc/15/28/50/550152850.db2.gz HKHUUGFMATZJGY-UHFFFAOYSA-N 1 2 363.414 2.019 20 5 FEBDLO CCOc1cc(C[NH+]2CCN(C(C)(C)C(=O)OC)CC2)ccc1[N+](=O)[O-] ZINC000492896281 561453260 /nfs/dbraw/zinc/45/32/60/561453260.db2.gz VPBIYKDHWQREDA-UHFFFAOYSA-N 1 2 365.430 2.063 20 5 FEBDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000270701553 550298861 /nfs/dbraw/zinc/29/88/61/550298861.db2.gz MIFNEPRYTISDPG-WFASDCNBSA-N 1 2 350.325 2.376 20 5 FEBDLO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000270701553 550298863 /nfs/dbraw/zinc/29/88/63/550298863.db2.gz MIFNEPRYTISDPG-WFASDCNBSA-N 1 2 350.325 2.376 20 5 FEBDLO C[C@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000271714012 550396955 /nfs/dbraw/zinc/39/69/55/550396955.db2.gz PXZWSCKPJRTCFO-ZDUSSCGKSA-N 1 2 350.419 2.066 20 5 FEBDLO C[C@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000271714012 550396957 /nfs/dbraw/zinc/39/69/57/550396957.db2.gz PXZWSCKPJRTCFO-ZDUSSCGKSA-N 1 2 350.419 2.066 20 5 FEBDLO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000272254458 550431826 /nfs/dbraw/zinc/43/18/26/550431826.db2.gz PMUHHWQZDNJUDJ-UHFFFAOYSA-N 1 2 358.383 2.273 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000272386001 550442985 /nfs/dbraw/zinc/44/29/85/550442985.db2.gz CDXKRVAOCQISTR-BETUJISGSA-N 1 2 373.413 2.190 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000272386001 550442986 /nfs/dbraw/zinc/44/29/86/550442986.db2.gz CDXKRVAOCQISTR-BETUJISGSA-N 1 2 373.413 2.190 20 5 FEBDLO COc1ccc(OCCn2c3ccccc3[nH+]c2NCCO)c([N+](=O)[O-])c1 ZINC000272960323 550478331 /nfs/dbraw/zinc/47/83/31/550478331.db2.gz ZUABYAHXPUFRRM-UHFFFAOYSA-N 1 2 372.381 2.436 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC2(CCOCC2)O1 ZINC000279823306 550933038 /nfs/dbraw/zinc/93/30/38/550933038.db2.gz QQCXZVOQZZATAV-CYBMUJFWSA-N 1 2 364.398 2.231 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC2(CCOCC2)O1 ZINC000279823306 550933040 /nfs/dbraw/zinc/93/30/40/550933040.db2.gz QQCXZVOQZZATAV-CYBMUJFWSA-N 1 2 364.398 2.231 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000280286265 550976631 /nfs/dbraw/zinc/97/66/31/550976631.db2.gz DVIHSCVTUMWHIS-UVBSCNOISA-N 1 2 363.414 2.110 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000280286265 550976633 /nfs/dbraw/zinc/97/66/33/550976633.db2.gz DVIHSCVTUMWHIS-UVBSCNOISA-N 1 2 363.414 2.110 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000280286271 550976823 /nfs/dbraw/zinc/97/68/23/550976823.db2.gz DVIHSCVTUMWHIS-YEWDVWPNSA-N 1 2 363.414 2.110 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000280286271 550976825 /nfs/dbraw/zinc/97/68/25/550976825.db2.gz DVIHSCVTUMWHIS-YEWDVWPNSA-N 1 2 363.414 2.110 20 5 FEBDLO CC[C@@H](C)N(CC(=O)OC)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000281337131 551086228 /nfs/dbraw/zinc/08/62/28/551086228.db2.gz LECZMYBGSBJYHQ-GFCCVEGCSA-N 1 2 360.370 2.194 20 5 FEBDLO Cc1ccnc(N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2ccnn2C)c1[N+](=O)[O-] ZINC000281589535 551117200 /nfs/dbraw/zinc/11/72/00/551117200.db2.gz XEQNXTVDYDHFRI-ZFWWWQNUSA-N 1 2 362.409 2.081 20 5 FEBDLO Cc1ccnc(N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2ccnn2C)c1[N+](=O)[O-] ZINC000281589535 551117201 /nfs/dbraw/zinc/11/72/01/551117201.db2.gz XEQNXTVDYDHFRI-ZFWWWQNUSA-N 1 2 362.409 2.081 20 5 FEBDLO CN(C)C(=O)Cc1nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000282363194 551217722 /nfs/dbraw/zinc/21/77/22/551217722.db2.gz DKESHOJNLVYQMT-UHFFFAOYSA-N 1 2 362.455 2.357 20 5 FEBDLO CN(C)C(=O)Cc1nc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000282363194 551217723 /nfs/dbraw/zinc/21/77/23/551217723.db2.gz DKESHOJNLVYQMT-UHFFFAOYSA-N 1 2 362.455 2.357 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2Cc2cc([N+](=O)[O-])ccc2OC)O1 ZINC000282452449 551230991 /nfs/dbraw/zinc/23/09/91/551230991.db2.gz LYHSPKCRLRUDSU-WQFMGJDKSA-N 1 2 364.398 2.287 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2Cc2cc([N+](=O)[O-])ccc2OC)O1 ZINC000282452449 551230992 /nfs/dbraw/zinc/23/09/92/551230992.db2.gz LYHSPKCRLRUDSU-WQFMGJDKSA-N 1 2 364.398 2.287 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)O1 ZINC000282526614 551241745 /nfs/dbraw/zinc/24/17/45/551241745.db2.gz UNZMAGXBLIKIPF-XGVBPZLHSA-N 1 2 352.362 2.417 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)O1 ZINC000282526614 551241748 /nfs/dbraw/zinc/24/17/48/551241748.db2.gz UNZMAGXBLIKIPF-XGVBPZLHSA-N 1 2 352.362 2.417 20 5 FEBDLO COCCn1cc(CN[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000282545499 551245029 /nfs/dbraw/zinc/24/50/29/551245029.db2.gz RJFPQVVULJXRHZ-KRWDZBQOSA-N 1 2 370.413 2.050 20 5 FEBDLO COCCCn1nccc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000282849045 551277374 /nfs/dbraw/zinc/27/73/74/551277374.db2.gz SNWJKVLMMMYZTJ-UHFFFAOYSA-N 1 2 359.430 2.150 20 5 FEBDLO CCCNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(C)=O)CC1 ZINC000283577226 551390876 /nfs/dbraw/zinc/39/08/76/551390876.db2.gz OOLVRHWHAHCFNZ-UHFFFAOYSA-N 1 2 362.430 2.200 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000497949760 561512120 /nfs/dbraw/zinc/51/21/20/561512120.db2.gz KYLXNPWDGAIILA-OLZOCXBDSA-N 1 2 355.460 2.260 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000497949760 561512121 /nfs/dbraw/zinc/51/21/21/561512121.db2.gz KYLXNPWDGAIILA-OLZOCXBDSA-N 1 2 355.460 2.260 20 5 FEBDLO Cc1noc([C@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000285661115 551791432 /nfs/dbraw/zinc/79/14/32/551791432.db2.gz MTZAIKAJQGKETO-UKRRQHHQSA-N 1 2 362.386 2.253 20 5 FEBDLO Cc1noc([C@H]2CCCC[N@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000285661115 551791433 /nfs/dbraw/zinc/79/14/33/551791433.db2.gz MTZAIKAJQGKETO-UKRRQHHQSA-N 1 2 362.386 2.253 20 5 FEBDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285676422 551793675 /nfs/dbraw/zinc/79/36/75/551793675.db2.gz FNTPWRZSQNEBFF-LBPRGKRZSA-N 1 2 354.370 2.281 20 5 FEBDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000286055141 551843634 /nfs/dbraw/zinc/84/36/34/551843634.db2.gz RJDZRVFZTSZYPT-UHFFFAOYSA-N 1 2 356.382 2.099 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000286236005 551864351 /nfs/dbraw/zinc/86/43/51/551864351.db2.gz DYYJUCKWDNGPMR-MNOVXSKESA-N 1 2 359.473 2.123 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@H]1CC(F)F ZINC000286661736 551911886 /nfs/dbraw/zinc/91/18/86/551911886.db2.gz ZYOSCNSMWYWLBK-GFCCVEGCSA-N 1 2 373.356 2.288 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOC[C@H]1CC(F)F ZINC000286661736 551911887 /nfs/dbraw/zinc/91/18/87/551911887.db2.gz ZYOSCNSMWYWLBK-GFCCVEGCSA-N 1 2 373.356 2.288 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289688376 552362697 /nfs/dbraw/zinc/36/26/97/552362697.db2.gz ODKDYJOSCCFPMD-WFASDCNBSA-N 1 2 371.384 2.491 20 5 FEBDLO Cc1cc[nH+]cc1N1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000500675056 561579259 /nfs/dbraw/zinc/57/92/59/561579259.db2.gz DVYWPHNGMLIYJB-UHFFFAOYSA-N 1 2 356.382 2.026 20 5 FEBDLO COc1cc(C[N@@H+]2CCCN(CC(F)F)CC2)c([N+](=O)[O-])cc1OC ZINC000290635242 552510784 /nfs/dbraw/zinc/51/07/84/552510784.db2.gz YFBNOQBIBKWWSN-UHFFFAOYSA-N 1 2 359.373 2.385 20 5 FEBDLO COc1cc(C[N@H+]2CCCN(CC(F)F)CC2)c([N+](=O)[O-])cc1OC ZINC000290635242 552510786 /nfs/dbraw/zinc/51/07/86/552510786.db2.gz YFBNOQBIBKWWSN-UHFFFAOYSA-N 1 2 359.373 2.385 20 5 FEBDLO COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc[nH+]cc2C)cc1OC ZINC000501263399 561593611 /nfs/dbraw/zinc/59/36/11/561593611.db2.gz FWZGUBHEUUFHDX-UHFFFAOYSA-N 1 2 361.354 2.006 20 5 FEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000291522828 552633689 /nfs/dbraw/zinc/63/36/89/552633689.db2.gz VFOQJYYHQJHDSR-IAQYHMDHSA-N 1 2 353.806 2.183 20 5 FEBDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000501474510 561598266 /nfs/dbraw/zinc/59/82/66/561598266.db2.gz LCGVFWOWXMJUSB-ZDUSSCGKSA-N 1 2 368.397 2.291 20 5 FEBDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC2 ZINC000292758961 552755975 /nfs/dbraw/zinc/75/59/75/552755975.db2.gz ITHXGGLQWACWPP-UHFFFAOYSA-N 1 2 368.315 2.266 20 5 FEBDLO Cn1nc2c(cc1=O)C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC2 ZINC000292758961 552755976 /nfs/dbraw/zinc/75/59/76/552755976.db2.gz ITHXGGLQWACWPP-UHFFFAOYSA-N 1 2 368.315 2.266 20 5 FEBDLO Cc1cc(N2CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000294575067 552916810 /nfs/dbraw/zinc/91/68/10/552916810.db2.gz XOYSIRRHCNGEQN-UHFFFAOYSA-N 1 2 363.462 2.393 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1N(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1(C)C ZINC000296256186 553130275 /nfs/dbraw/zinc/13/02/75/553130275.db2.gz JCZQRGFMCAZADK-CQSZACIVSA-N 1 2 364.427 2.319 20 5 FEBDLO COc1cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])cc1F ZINC000296644057 553192400 /nfs/dbraw/zinc/19/24/00/553192400.db2.gz WUHVTMOIRFCGPB-LLVKDONJSA-N 1 2 360.345 2.146 20 5 FEBDLO Cc1ccc(NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)c(C)[nH+]1 ZINC000296779012 553210440 /nfs/dbraw/zinc/21/04/40/553210440.db2.gz ZTAUVOGQZNRQLM-UHFFFAOYSA-N 1 2 356.386 2.356 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000298945309 553493065 /nfs/dbraw/zinc/49/30/65/553493065.db2.gz RQKHKHQCAWGDLI-UHFFFAOYSA-N 1 2 359.386 2.064 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cc(NCC4CC4)[nH+]cn3)C2)nc1 ZINC000302796552 553733883 /nfs/dbraw/zinc/73/38/83/553733883.db2.gz PZZYCQWDWZDBJR-ZDUSSCGKSA-N 1 2 355.402 2.293 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cc(NCC4CC4)nc[nH+]3)C2)nc1 ZINC000302796552 553733884 /nfs/dbraw/zinc/73/38/84/553733884.db2.gz PZZYCQWDWZDBJR-ZDUSSCGKSA-N 1 2 355.402 2.293 20 5 FEBDLO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000505551382 561673898 /nfs/dbraw/zinc/67/38/98/561673898.db2.gz RZKYRSVBYVQWJV-QGZVFWFLSA-N 1 2 351.366 2.258 20 5 FEBDLO C[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000505590205 561674694 /nfs/dbraw/zinc/67/46/94/561674694.db2.gz LGFBDEOJLOBIFW-ZDUSSCGKSA-N 1 2 355.394 2.477 20 5 FEBDLO C[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000505590205 561674695 /nfs/dbraw/zinc/67/46/95/561674695.db2.gz LGFBDEOJLOBIFW-ZDUSSCGKSA-N 1 2 355.394 2.477 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000330794177 554172074 /nfs/dbraw/zinc/17/20/74/554172074.db2.gz CXQNXHTVPMVOSP-IINYFYTJSA-N 1 2 361.320 2.311 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000330794177 554172076 /nfs/dbraw/zinc/17/20/76/554172076.db2.gz CXQNXHTVPMVOSP-IINYFYTJSA-N 1 2 361.320 2.311 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000331171544 554225495 /nfs/dbraw/zinc/22/54/95/554225495.db2.gz OEHJOJSOZBAZCY-CHWSQXEVSA-N 1 2 353.444 2.073 20 5 FEBDLO COC(=O)CCC(C)(C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000509918669 561818632 /nfs/dbraw/zinc/81/86/32/561818632.db2.gz TTWGWMIMQLOLTI-UHFFFAOYSA-N 1 2 360.370 2.242 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000332532059 554465490 /nfs/dbraw/zinc/46/54/90/554465490.db2.gz SCHONSONSDIEKG-AWEZNQCLSA-N 1 2 353.444 2.070 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000332532059 554465493 /nfs/dbraw/zinc/46/54/93/554465493.db2.gz SCHONSONSDIEKG-AWEZNQCLSA-N 1 2 353.444 2.070 20 5 FEBDLO CC(C)[C@@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCS1 ZINC000332588017 554477698 /nfs/dbraw/zinc/47/76/98/554477698.db2.gz KXKCOXNVBJCCBY-HNNXBMFYSA-N 1 2 367.427 2.335 20 5 FEBDLO CC(C)[C@@H]1C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCS1 ZINC000332588017 554477701 /nfs/dbraw/zinc/47/77/01/554477701.db2.gz KXKCOXNVBJCCBY-HNNXBMFYSA-N 1 2 367.427 2.335 20 5 FEBDLO CNc1nc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000351090378 554835956 /nfs/dbraw/zinc/83/59/56/554835956.db2.gz MREJJPZCDDIHON-GXFFZTMASA-N 1 2 360.374 2.007 20 5 FEBDLO CNc1nc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000351090378 554835958 /nfs/dbraw/zinc/83/59/58/554835958.db2.gz MREJJPZCDDIHON-GXFFZTMASA-N 1 2 360.374 2.007 20 5 FEBDLO Cc1[nH+]c(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c2n1CCCC2 ZINC000362487830 554974974 /nfs/dbraw/zinc/97/49/74/554974974.db2.gz OFSDEYFROIZGLF-UHFFFAOYSA-N 1 2 368.390 2.054 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000362990359 555006078 /nfs/dbraw/zinc/00/60/78/555006078.db2.gz VFRHFMIBCVDPDH-UHFFFAOYSA-N 1 2 370.409 2.347 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000362990359 555006080 /nfs/dbraw/zinc/00/60/80/555006080.db2.gz VFRHFMIBCVDPDH-UHFFFAOYSA-N 1 2 370.409 2.347 20 5 FEBDLO CCCC(=O)N1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000363139073 555038661 /nfs/dbraw/zinc/03/86/61/555038661.db2.gz JVAWNGWEBDHAGF-CQSZACIVSA-N 1 2 362.430 2.256 20 5 FEBDLO CCCC(=O)N1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000363139073 555038662 /nfs/dbraw/zinc/03/86/62/555038662.db2.gz JVAWNGWEBDHAGF-CQSZACIVSA-N 1 2 362.430 2.256 20 5 FEBDLO Cc1n[nH]c(C2CC[NH+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)n1 ZINC000363191859 555050022 /nfs/dbraw/zinc/05/00/22/555050022.db2.gz DERIVFGCAUAFIW-UHFFFAOYSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1nc(C2CC[NH+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)n[nH]1 ZINC000363191859 555050024 /nfs/dbraw/zinc/05/00/24/555050024.db2.gz DERIVFGCAUAFIW-UHFFFAOYSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1nnc(C2CC[NH+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)[nH]1 ZINC000363191859 555050027 /nfs/dbraw/zinc/05/00/27/555050027.db2.gz DERIVFGCAUAFIW-UHFFFAOYSA-N 1 2 369.385 2.451 20 5 FEBDLO COC(=O)[C@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000364765010 555396429 /nfs/dbraw/zinc/39/64/29/555396429.db2.gz RQYYACQTFXGJPE-LLVKDONJSA-N 1 2 369.805 2.318 20 5 FEBDLO COC(=O)[C@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000364765010 555396431 /nfs/dbraw/zinc/39/64/31/555396431.db2.gz RQYYACQTFXGJPE-LLVKDONJSA-N 1 2 369.805 2.318 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512844856 561917733 /nfs/dbraw/zinc/91/77/33/561917733.db2.gz PPZLMQRITXNEGJ-MNOVXSKESA-N 1 2 373.356 2.492 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512844856 561917734 /nfs/dbraw/zinc/91/77/34/561917734.db2.gz PPZLMQRITXNEGJ-MNOVXSKESA-N 1 2 373.356 2.492 20 5 FEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccccc1F ZINC000365338350 555547711 /nfs/dbraw/zinc/54/77/11/555547711.db2.gz TYOCEUBGHWBEJH-AWEZNQCLSA-N 1 2 371.328 2.087 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000365850122 555683100 /nfs/dbraw/zinc/68/31/00/555683100.db2.gz RSUTVDYXNSGVLT-MGPLVRAMSA-N 1 2 353.806 2.422 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000365850122 555683102 /nfs/dbraw/zinc/68/31/02/555683102.db2.gz RSUTVDYXNSGVLT-MGPLVRAMSA-N 1 2 353.806 2.422 20 5 FEBDLO Cn1cc[nH+]c1[C@H](NCc1cccc(C(N)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000513685022 561946623 /nfs/dbraw/zinc/94/66/23/561946623.db2.gz WFHXEEJIMLZYTF-QGZVFWFLSA-N 1 2 365.393 2.306 20 5 FEBDLO Cc1cc(N[C@H]2CCC(=O)N[C@H]2C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000367419624 556043754 /nfs/dbraw/zinc/04/37/54/556043754.db2.gz NOUYATBILOZNKU-YJBOKZPZSA-N 1 2 367.409 2.251 20 5 FEBDLO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000367644654 556103728 /nfs/dbraw/zinc/10/37/28/556103728.db2.gz UIYCCCDDZCZQPF-HZPDHXFCSA-N 1 2 371.393 2.185 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000368070916 556210692 /nfs/dbraw/zinc/21/06/92/556210692.db2.gz DWASGCDTOHHKAG-WBVHZDCISA-N 1 2 363.414 2.431 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000368070916 556210695 /nfs/dbraw/zinc/21/06/95/556210695.db2.gz DWASGCDTOHHKAG-WBVHZDCISA-N 1 2 363.414 2.431 20 5 FEBDLO O=C(Nc1ncccc1C[NH+]1CCc2ccccc2CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000368556450 556344773 /nfs/dbraw/zinc/34/47/73/556344773.db2.gz XCZWQWCYNURRCT-MSOLQXFVSA-N 1 2 366.421 2.286 20 5 FEBDLO Cc1nnc2n1CC[N@@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000369038949 556485236 /nfs/dbraw/zinc/48/52/36/556485236.db2.gz RWMBPZPOISVRHH-UHFFFAOYSA-N 1 2 354.370 2.208 20 5 FEBDLO Cc1nnc2n1CC[N@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000369038949 556485239 /nfs/dbraw/zinc/48/52/39/556485239.db2.gz RWMBPZPOISVRHH-UHFFFAOYSA-N 1 2 354.370 2.208 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](NC(=O)C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000369066786 556494853 /nfs/dbraw/zinc/49/48/53/556494853.db2.gz SEIVIRDCNAMXGI-DZGCQCFKSA-N 1 2 374.441 2.221 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](NC(=O)C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000369066786 556494855 /nfs/dbraw/zinc/49/48/55/556494855.db2.gz SEIVIRDCNAMXGI-DZGCQCFKSA-N 1 2 374.441 2.221 20 5 FEBDLO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@]2(CCOC2)O1 ZINC000369548574 556628594 /nfs/dbraw/zinc/62/85/94/556628594.db2.gz VWBGHHIMBLJVHZ-GOSISDBHSA-N 1 2 364.398 2.231 20 5 FEBDLO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@]2(CCOC2)O1 ZINC000369548574 556628596 /nfs/dbraw/zinc/62/85/96/556628596.db2.gz VWBGHHIMBLJVHZ-GOSISDBHSA-N 1 2 364.398 2.231 20 5 FEBDLO C[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@]2(CCCOC2)O1 ZINC000369551089 556628923 /nfs/dbraw/zinc/62/89/23/556628923.db2.gz NMPSLUIGGRKBOZ-SCLBCKFNSA-N 1 2 374.397 2.415 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@]2(CCCOC2)O1 ZINC000369551089 556628926 /nfs/dbraw/zinc/62/89/26/556628926.db2.gz NMPSLUIGGRKBOZ-SCLBCKFNSA-N 1 2 374.397 2.415 20 5 FEBDLO COc1cc(C(=O)NC2CCN(c3cc(C)[nH+]cn3)CC2)ccc1[N+](=O)[O-] ZINC000370310362 556836339 /nfs/dbraw/zinc/83/63/39/556836339.db2.gz PYDMHIGJHSUYDC-UHFFFAOYSA-N 1 2 371.397 2.101 20 5 FEBDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000370376015 556853985 /nfs/dbraw/zinc/85/39/85/556853985.db2.gz YWEVOVQEDCDYJJ-INIZCTEOSA-N 1 2 361.423 2.201 20 5 FEBDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000370376015 556853989 /nfs/dbraw/zinc/85/39/89/556853989.db2.gz YWEVOVQEDCDYJJ-INIZCTEOSA-N 1 2 361.423 2.201 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000370827201 556981117 /nfs/dbraw/zinc/98/11/17/556981117.db2.gz QVDSYKKUAJSGEQ-ZDUSSCGKSA-N 1 2 373.331 2.160 20 5 FEBDLO Cc1ccn2cc(CNC(=O)NCCOc3ccc([N+](=O)[O-])cc3)[nH+]c2c1 ZINC000518829081 562119504 /nfs/dbraw/zinc/11/95/04/562119504.db2.gz YQTNVBTZOQUZAF-UHFFFAOYSA-N 1 2 369.381 2.429 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000373073657 557622134 /nfs/dbraw/zinc/62/21/34/557622134.db2.gz FWZPWDDYLNLRJC-NSHDSACASA-N 1 2 358.354 2.077 20 5 FEBDLO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3CCCN(c4cccc[nH+]4)C3)n2)n1C ZINC000373220678 557652630 /nfs/dbraw/zinc/65/26/30/557652630.db2.gz OVIJXBAENBPLNO-GFCCVEGCSA-N 1 2 369.385 2.466 20 5 FEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000520388861 562155197 /nfs/dbraw/zinc/15/51/97/562155197.db2.gz JLKHJXSOMTZBJM-QWRGUYRKSA-N 1 2 352.778 2.417 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000374050669 557814489 /nfs/dbraw/zinc/81/44/89/557814489.db2.gz OJRIZQRNGASEEN-SNVBAGLBSA-N 1 2 364.793 2.184 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H](c2nnc[nH]2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000374050669 557814491 /nfs/dbraw/zinc/81/44/91/557814491.db2.gz OJRIZQRNGASEEN-SNVBAGLBSA-N 1 2 364.793 2.184 20 5 FEBDLO O=C(C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000375438885 558027209 /nfs/dbraw/zinc/02/72/09/558027209.db2.gz QGIBWCWATXLSLI-GFCCVEGCSA-N 1 2 357.370 2.283 20 5 FEBDLO O=C(C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000375438885 558027210 /nfs/dbraw/zinc/02/72/10/558027210.db2.gz QGIBWCWATXLSLI-GFCCVEGCSA-N 1 2 357.370 2.283 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000375757314 558078149 /nfs/dbraw/zinc/07/81/49/558078149.db2.gz JPCLYHGTLUHUCP-ZDUSSCGKSA-N 1 2 373.413 2.155 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000375757314 558078151 /nfs/dbraw/zinc/07/81/51/558078151.db2.gz JPCLYHGTLUHUCP-ZDUSSCGKSA-N 1 2 373.413 2.155 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000375936216 558102361 /nfs/dbraw/zinc/10/23/61/558102361.db2.gz ZNFAEABUCMHKRD-NSHDSACASA-N 1 2 368.390 2.036 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1c[nH+]ccc1-n1ccnn1 ZINC000377443578 558342126 /nfs/dbraw/zinc/34/21/26/558342126.db2.gz VDWDGSIOIBMEMM-UHFFFAOYSA-N 1 2 358.745 2.405 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1cc[nH]n1 ZINC000377780359 558418721 /nfs/dbraw/zinc/41/87/21/558418721.db2.gz BRVOBRRMIVRNQC-CQSZACIVSA-N 1 2 352.354 2.481 20 5 FEBDLO COc1ccc(C[NH2+]Cc2nn(C)cc2Br)cc1[N+](=O)[O-] ZINC000393322294 558620892 /nfs/dbraw/zinc/62/08/92/558620892.db2.gz NWFFZQCNIRXHQG-UHFFFAOYSA-N 1 2 355.192 2.389 20 5 FEBDLO CO[C@]1(CO)CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000401880844 558630392 /nfs/dbraw/zinc/63/03/92/558630392.db2.gz QGVMKRNBWJKZSN-CQSZACIVSA-N 1 2 359.220 2.331 20 5 FEBDLO CO[C@]1(CO)CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000401880844 558630394 /nfs/dbraw/zinc/63/03/94/558630394.db2.gz QGVMKRNBWJKZSN-CQSZACIVSA-N 1 2 359.220 2.331 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000408182374 558654339 /nfs/dbraw/zinc/65/43/39/558654339.db2.gz JOWINQPPVBICEK-UONOGXRCSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000408182374 558654340 /nfs/dbraw/zinc/65/43/40/558654340.db2.gz JOWINQPPVBICEK-UONOGXRCSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cc1C ZINC000408182762 558654752 /nfs/dbraw/zinc/65/47/52/558654752.db2.gz NAAUWLKOJVVDAR-LSDHHAIUSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)cc1C ZINC000408182762 558654753 /nfs/dbraw/zinc/65/47/53/558654753.db2.gz NAAUWLKOJVVDAR-LSDHHAIUSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1c(F)cc(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000408306359 558665519 /nfs/dbraw/zinc/66/55/19/558665519.db2.gz CPHZNOSSGPLFQR-YPMHNXCESA-N 1 2 371.434 2.290 20 5 FEBDLO Cc1c(F)cc(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000408306359 558665521 /nfs/dbraw/zinc/66/55/21/558665521.db2.gz CPHZNOSSGPLFQR-YPMHNXCESA-N 1 2 371.434 2.290 20 5 FEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000408315043 558665978 /nfs/dbraw/zinc/66/59/78/558665978.db2.gz FCYOORFCBVYZEU-WDEREUQCSA-N 1 2 359.423 2.146 20 5 FEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000408315043 558665980 /nfs/dbraw/zinc/66/59/80/558665980.db2.gz FCYOORFCBVYZEU-WDEREUQCSA-N 1 2 359.423 2.146 20 5 FEBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000412159486 559017599 /nfs/dbraw/zinc/01/75/99/559017599.db2.gz RPTSLTOUFNTOTN-GBESFXJTSA-N 1 2 373.453 2.412 20 5 FEBDLO CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413184286 559086188 /nfs/dbraw/zinc/08/61/88/559086188.db2.gz JKXVNOUDKCBHLZ-IUODEOHRSA-N 1 2 364.427 2.273 20 5 FEBDLO Cc1cc2[nH+]cn(C[C@H](O)Cn3c(C)c([N+](=O)[O-])ccc3=O)c2cc1C ZINC000414152490 559150971 /nfs/dbraw/zinc/15/09/71/559150971.db2.gz XVCRQTHRXPBZDP-AWEZNQCLSA-N 1 2 356.382 2.093 20 5 FEBDLO Cc1cc(S(=O)(=O)N(C)c2ccc[nH+]c2N(C)C)c(C)cc1[N+](=O)[O-] ZINC000414436329 559163713 /nfs/dbraw/zinc/16/37/13/559163713.db2.gz ACWWFBWTXCBSJD-UHFFFAOYSA-N 1 2 364.427 2.498 20 5 FEBDLO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cc(F)ccc2C[NH2+]1 ZINC000420452234 559488062 /nfs/dbraw/zinc/48/80/62/559488062.db2.gz AOBYLZQNCRSSOM-NSHDSACASA-N 1 2 365.386 2.421 20 5 FEBDLO CCN1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433466313 559882286 /nfs/dbraw/zinc/88/22/86/559882286.db2.gz ARFRXOPCMJHMFY-MRXNPFEDSA-N 1 2 368.397 2.318 20 5 FEBDLO COc1ccc(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000434088307 559894004 /nfs/dbraw/zinc/89/40/04/559894004.db2.gz VHZQYFLQWWOJNZ-OAHLLOKOSA-N 1 2 372.381 2.361 20 5 FEBDLO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)Cc2ccccc2C1 ZINC000439836745 560000606 /nfs/dbraw/zinc/00/06/06/560000606.db2.gz ZXCRLNDEXNPELY-UHFFFAOYSA-N 1 2 355.394 2.129 20 5 FEBDLO Cc1nc(N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000440647775 560015372 /nfs/dbraw/zinc/01/53/72/560015372.db2.gz VGXMUSVLHZKBLX-KRWDZBQOSA-N 1 2 350.419 2.198 20 5 FEBDLO COC(=O)CCCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448583457 560191305 /nfs/dbraw/zinc/19/13/05/560191305.db2.gz SVTNRUHLRLRIJH-UHFFFAOYSA-N 1 2 360.370 2.244 20 5 FEBDLO Cn1cc(C[NH2+]Cc2nnc(C3CC3)[nH]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449406029 560229269 /nfs/dbraw/zinc/22/92/69/560229269.db2.gz RLUZFZOVZAXXQO-UHFFFAOYSA-N 1 2 353.386 2.281 20 5 FEBDLO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCC[C@@H]1O ZINC000450084982 560250276 /nfs/dbraw/zinc/25/02/76/560250276.db2.gz KESVBOJJMYNNOZ-WMZOPIPTSA-N 1 2 358.398 2.452 20 5 FEBDLO O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450633790 560268716 /nfs/dbraw/zinc/26/87/16/560268716.db2.gz CPOSZYUDCCMRPY-WMLDXEAASA-N 1 2 356.382 2.468 20 5 FEBDLO C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450755313 560272175 /nfs/dbraw/zinc/27/21/75/560272175.db2.gz BAVBDSROUMJFQY-GFCCVEGCSA-N 1 2 373.413 2.156 20 5 FEBDLO COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451004252 560282056 /nfs/dbraw/zinc/28/20/56/560282056.db2.gz VNEAIQULMHIBOD-WBMJQRKESA-N 1 2 372.381 2.194 20 5 FEBDLO COc1cc(C[NH2+][C@](C)(CO)c2cccc(O)c2)c([N+](=O)[O-])cc1F ZINC000451036539 560283905 /nfs/dbraw/zinc/28/39/05/560283905.db2.gz FXURIBBKEAGPRK-QGZVFWFLSA-N 1 2 350.346 2.445 20 5 FEBDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000451936343 560339222 /nfs/dbraw/zinc/33/92/22/560339222.db2.gz UJXDDQNPPVCNOW-NSHDSACASA-N 1 2 361.851 2.353 20 5 FEBDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000451936343 560339223 /nfs/dbraw/zinc/33/92/23/560339223.db2.gz UJXDDQNPPVCNOW-NSHDSACASA-N 1 2 361.851 2.353 20 5 FEBDLO CCn1cc[nH+]c1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000452568397 560367926 /nfs/dbraw/zinc/36/79/26/560367926.db2.gz AHJMLEQALBYLEF-UHFFFAOYSA-N 1 2 367.203 2.433 20 5 FEBDLO CCOC(=O)c1coc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000453575578 560389353 /nfs/dbraw/zinc/38/93/53/560389353.db2.gz KWLWZWOJXJQLAO-UHFFFAOYSA-N 1 2 360.370 2.082 20 5 FEBDLO Cc1cc(C(=O)N2CC[N@H+](CC=Cc3ccccc3[N+](=O)[O-])[C@H](C)C2)[nH]n1 ZINC000453623984 560391855 /nfs/dbraw/zinc/39/18/55/560391855.db2.gz YIXLQDUVQJUPGE-KEDPEKRHSA-N 1 2 369.425 2.486 20 5 FEBDLO Cc1cc(C(=O)N2CC[N@@H+](CC=Cc3ccccc3[N+](=O)[O-])[C@H](C)C2)[nH]n1 ZINC000453623984 560391856 /nfs/dbraw/zinc/39/18/56/560391856.db2.gz YIXLQDUVQJUPGE-KEDPEKRHSA-N 1 2 369.425 2.486 20 5 FEBDLO CNc1nc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000454458222 560445315 /nfs/dbraw/zinc/44/53/15/560445315.db2.gz OWVANQCYBBVLHV-MRXNPFEDSA-N 1 2 355.398 2.160 20 5 FEBDLO CNc1nc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000454458222 560445316 /nfs/dbraw/zinc/44/53/16/560445316.db2.gz OWVANQCYBBVLHV-MRXNPFEDSA-N 1 2 355.398 2.160 20 5 FEBDLO C[C@H]1C[C@@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c2[nH+]ccn21 ZINC000455490190 560484320 /nfs/dbraw/zinc/48/43/20/560484320.db2.gz WJOSJWJRPUNCBY-SMDDNHRTSA-N 1 2 357.370 2.401 20 5 FEBDLO Cn1c[nH+]c(CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000457854469 560590573 /nfs/dbraw/zinc/59/05/73/560590573.db2.gz KMVSDSMWZPLZEP-UHFFFAOYSA-N 1 2 354.819 2.433 20 5 FEBDLO Cc1cc(N[C@H](CCO)C2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000460962701 560757327 /nfs/dbraw/zinc/75/73/27/560757327.db2.gz LSOYSMWVNAVRPZ-QGZVFWFLSA-N 1 2 372.425 2.372 20 5 FEBDLO CC(=O)N1CC[NH+](CCNc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000461782080 560783167 /nfs/dbraw/zinc/78/31/67/560783167.db2.gz YKCYCAWNSVHRJP-UHFFFAOYSA-N 1 2 374.363 2.498 20 5 FEBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000464284976 560837934 /nfs/dbraw/zinc/83/79/34/560837934.db2.gz UQIBHZWOTOCZFK-UHFFFAOYSA-N 1 2 353.382 2.450 20 5 FEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCCNc1ccc2ccccc2[nH+]1 ZINC000469733626 560963052 /nfs/dbraw/zinc/96/30/52/560963052.db2.gz LKFLZLDLITVXAF-UHFFFAOYSA-N 1 2 350.378 2.914 20 5 FEBDLO CCN(CC)C(=O)CN1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470173774 560976087 /nfs/dbraw/zinc/97/60/87/560976087.db2.gz FIGZQVMEKLSOFS-LGMDPLHJSA-N 1 2 374.485 2.484 20 5 FEBDLO CCN(CC)C(=O)C[NH+]1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470173774 560976088 /nfs/dbraw/zinc/97/60/88/560976088.db2.gz FIGZQVMEKLSOFS-LGMDPLHJSA-N 1 2 374.485 2.484 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCCNc2cccc[nH+]2)c(Cl)c1 ZINC000472337526 561024606 /nfs/dbraw/zinc/02/46/06/561024606.db2.gz PWGXOQVYJZMSDE-UHFFFAOYSA-N 1 2 356.791 2.034 20 5 FEBDLO CCN1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000474232683 561068964 /nfs/dbraw/zinc/06/89/64/561068964.db2.gz PUJGTAQISGOHOY-CZUORRHYSA-N 1 2 372.429 2.467 20 5 FEBDLO C[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)Cn1cc[nH+]c1 ZINC000530849406 562426081 /nfs/dbraw/zinc/42/60/81/562426081.db2.gz XDFBEBJRALRCHC-OAHLLOKOSA-N 1 2 371.441 2.460 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000532576111 562482152 /nfs/dbraw/zinc/48/21/52/562482152.db2.gz DSDMHYSOEUGBCB-UONOGXRCSA-N 1 2 360.414 2.009 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000532576111 562482153 /nfs/dbraw/zinc/48/21/53/562482153.db2.gz DSDMHYSOEUGBCB-UONOGXRCSA-N 1 2 360.414 2.009 20 5 FEBDLO Cn1cc[nH+]c1CS(=O)(=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535509720 562560128 /nfs/dbraw/zinc/56/01/28/562560128.db2.gz AGASYWBIGAPGAG-UHFFFAOYSA-N 1 2 362.367 2.098 20 5 FEBDLO Cc1cccc(C)c1-n1nnnc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000541619057 562616703 /nfs/dbraw/zinc/61/67/03/562616703.db2.gz QRSQHEYYRIAWMU-UHFFFAOYSA-N 1 2 365.397 2.141 20 5 FEBDLO Cc1cccc(C)c1-n1nnnc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000541619057 562616704 /nfs/dbraw/zinc/61/67/04/562616704.db2.gz QRSQHEYYRIAWMU-UHFFFAOYSA-N 1 2 365.397 2.141 20 5 FEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000541817449 562620467 /nfs/dbraw/zinc/62/04/67/562620467.db2.gz GKKYSSYFOFVLAL-QWHCGFSZSA-N 1 2 355.460 2.315 20 5 FEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000541817449 562620468 /nfs/dbraw/zinc/62/04/68/562620468.db2.gz GKKYSSYFOFVLAL-QWHCGFSZSA-N 1 2 355.460 2.315 20 5 FEBDLO Cn1cc(C[N@@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)c([N+](=O)[O-])n1 ZINC000602598875 568000182 /nfs/dbraw/zinc/00/01/82/568000182.db2.gz ZIVAHIACCPWCGE-UHFFFAOYSA-N 1 2 356.361 2.211 20 5 FEBDLO Cn1cc(C[N@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)c([N+](=O)[O-])n1 ZINC000602598875 568000183 /nfs/dbraw/zinc/00/01/83/568000183.db2.gz ZIVAHIACCPWCGE-UHFFFAOYSA-N 1 2 356.361 2.211 20 5 FEBDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809917924 674519403 /nfs/dbraw/zinc/51/94/03/674519403.db2.gz OQJODTZNLCXWES-LLVKDONJSA-N 1 2 355.826 2.006 20 5 FEBDLO O=C(Cn1cc[nH+]c1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000561073709 674634597 /nfs/dbraw/zinc/63/45/97/674634597.db2.gz UJXLESCPKZQAOF-UHFFFAOYSA-N 1 2 357.292 2.038 20 5 FEBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815028500 674901762 /nfs/dbraw/zinc/90/17/62/674901762.db2.gz CVPNZIYJLQWBII-DTWKUNHWSA-N 1 2 365.814 2.100 20 5 FEBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815028500 674901766 /nfs/dbraw/zinc/90/17/66/674901766.db2.gz CVPNZIYJLQWBII-DTWKUNHWSA-N 1 2 365.814 2.100 20 5 FEBDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815028489 674901887 /nfs/dbraw/zinc/90/18/87/674901887.db2.gz CRSKSCGXIABHMJ-IUCAKERBSA-N 1 2 365.814 2.100 20 5 FEBDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815028489 674901890 /nfs/dbraw/zinc/90/18/90/674901890.db2.gz CRSKSCGXIABHMJ-IUCAKERBSA-N 1 2 365.814 2.100 20 5 FEBDLO CCc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000573320848 671108881 /nfs/dbraw/zinc/10/88/81/671108881.db2.gz NODGLCCJEKTALY-CYBMUJFWSA-N 1 2 364.427 2.449 20 5 FEBDLO Cc1c(Br)cc(C(=O)NCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000574089707 671201042 /nfs/dbraw/zinc/20/10/42/671201042.db2.gz NAFULLJMBPDHJJ-UHFFFAOYSA-N 1 2 353.176 2.329 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609134791 675911431 /nfs/dbraw/zinc/91/14/31/675911431.db2.gz XUWCQDGDKSIZQW-CQSZACIVSA-N 1 2 350.400 2.126 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610500583 675976378 /nfs/dbraw/zinc/97/63/78/675976378.db2.gz WAGBVLYHCIVBJH-AWEZNQCLSA-N 1 2 364.427 2.434 20 5 FEBDLO CCc1ccc(S(=O)(=O)N2CC[NH+]([C@@H](C)CC)CC2)cc1[N+](=O)[O-] ZINC000583690949 672117635 /nfs/dbraw/zinc/11/76/35/672117635.db2.gz OXVHFWYUEKRCEQ-ZDUSSCGKSA-N 1 2 355.460 2.262 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178405390 672391311 /nfs/dbraw/zinc/39/13/11/672391311.db2.gz XUJXNNAGEAQIEF-UHFFFAOYSA-N 1 2 366.786 2.374 20 5 FEBDLO COc1cccc([N+](=O)[O-])c1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000594549100 673096900 /nfs/dbraw/zinc/09/69/00/673096900.db2.gz WEPCANJBEFNZCD-MRXNPFEDSA-N 1 2 353.444 2.223 20 5 FEBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597709670 673501509 /nfs/dbraw/zinc/50/15/09/673501509.db2.gz LBJODPLHMZOJBZ-CYBMUJFWSA-N 1 2 353.806 2.185 20 5 FEBDLO COc1ccc(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000598643326 673593323 /nfs/dbraw/zinc/59/33/23/673593323.db2.gz AIPLLTGAEKWWLA-HNNXBMFYSA-N 1 2 362.407 2.363 20 5 FEBDLO C[S@](=O)CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000741749132 673696491 /nfs/dbraw/zinc/69/64/91/673696491.db2.gz NTKHKUMWKCLJGX-DEOSSOPVSA-N 1 2 365.377 2.114 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)[S@]4=O)n2)c1 ZINC000599632664 673700036 /nfs/dbraw/zinc/70/00/36/673700036.db2.gz JRHROGLBSVXNOR-JXQWACKNSA-N 1 2 362.411 2.130 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[S@]4=O)n2)c1 ZINC000599632664 673700038 /nfs/dbraw/zinc/70/00/38/673700038.db2.gz JRHROGLBSVXNOR-JXQWACKNSA-N 1 2 362.411 2.130 20 5 FEBDLO C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C[C@H]1COCCO1 ZINC000602710335 673910389 /nfs/dbraw/zinc/91/03/89/673910389.db2.gz SHWBSGCHHSEUHN-QMMMGPOBSA-N 1 2 351.222 2.266 20 5 FEBDLO C[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C[C@H]1COCCO1 ZINC000602710335 673910393 /nfs/dbraw/zinc/91/03/93/673910393.db2.gz SHWBSGCHHSEUHN-QMMMGPOBSA-N 1 2 351.222 2.266 20 5 FEBDLO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000602958960 673914249 /nfs/dbraw/zinc/91/42/49/673914249.db2.gz RPFJTKOZPDRSTK-UHFFFAOYSA-N 1 2 361.427 2.131 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000824948495 675630437 /nfs/dbraw/zinc/63/04/37/675630437.db2.gz GIYWOUGDHXUKCA-VXGBXAGGSA-N 1 2 353.444 2.156 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000824948495 675630438 /nfs/dbraw/zinc/63/04/38/675630438.db2.gz GIYWOUGDHXUKCA-VXGBXAGGSA-N 1 2 353.444 2.156 20 5 FEBDLO COc1c(C)c[nH+]c(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000760552198 680692381 /nfs/dbraw/zinc/69/23/81/680692381.db2.gz OEXXTBYLKHINPJ-UHFFFAOYSA-N 1 2 351.384 2.094 20 5 FEBDLO C[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC000840154066 680802900 /nfs/dbraw/zinc/80/29/00/680802900.db2.gz BMEWXEHJRCFYOH-STQMWFEESA-N 1 2 353.423 2.232 20 5 FEBDLO C[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC000840154066 680802901 /nfs/dbraw/zinc/80/29/01/680802901.db2.gz BMEWXEHJRCFYOH-STQMWFEESA-N 1 2 353.423 2.232 20 5 FEBDLO COCC(COC)[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2Cl)CC1 ZINC000840356970 680818168 /nfs/dbraw/zinc/81/81/68/680818168.db2.gz GNKZGUGMIRKKNZ-UHFFFAOYSA-N 1 2 357.838 2.340 20 5 FEBDLO O=C(NCCn1cc[nH+]c1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754979408 680391334 /nfs/dbraw/zinc/39/13/34/680391334.db2.gz AEOHOIBUHOPCKZ-UHFFFAOYSA-N 1 2 357.139 2.123 20 5 FEBDLO O=C(NC1CC[NH+](Cc2cc(Cl)ccc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002782068 680507988 /nfs/dbraw/zinc/50/79/88/680507988.db2.gz GPYVOTMEZXFWOE-UKRRQHHQSA-N 1 2 355.797 2.225 20 5 FEBDLO COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1Cl ZINC001002789884 680508249 /nfs/dbraw/zinc/50/82/49/680508249.db2.gz XTNHQRLODUTCHS-UKRRQHHQSA-N 1 2 367.833 2.094 20 5 FEBDLO CC[N@H+](CCSC)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000842643495 680956771 /nfs/dbraw/zinc/95/67/71/680956771.db2.gz CYWSPYAUJPRUHR-UHFFFAOYSA-N 1 2 350.444 2.498 20 5 FEBDLO CC[N@@H+](CCSC)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000842643495 680956772 /nfs/dbraw/zinc/95/67/72/680956772.db2.gz CYWSPYAUJPRUHR-UHFFFAOYSA-N 1 2 350.444 2.498 20 5 FEBDLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000842961370 680977336 /nfs/dbraw/zinc/97/73/36/680977336.db2.gz HQJLYECTOVVVFJ-WCQYABFASA-N 1 2 372.805 2.141 20 5 FEBDLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000842961370 680977338 /nfs/dbraw/zinc/97/73/38/680977338.db2.gz HQJLYECTOVVVFJ-WCQYABFASA-N 1 2 372.805 2.141 20 5 FEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000771785686 681069877 /nfs/dbraw/zinc/06/98/77/681069877.db2.gz TZSQDJOCPZTKLI-NWDGAFQWSA-N 1 2 359.423 2.146 20 5 FEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000771785686 681069878 /nfs/dbraw/zinc/06/98/78/681069878.db2.gz TZSQDJOCPZTKLI-NWDGAFQWSA-N 1 2 359.423 2.146 20 5 FEBDLO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000772312905 681092456 /nfs/dbraw/zinc/09/24/56/681092456.db2.gz KDIYAAVHUPTKKY-STQMWFEESA-N 1 2 353.423 2.121 20 5 FEBDLO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000772312905 681092459 /nfs/dbraw/zinc/09/24/59/681092459.db2.gz KDIYAAVHUPTKKY-STQMWFEESA-N 1 2 353.423 2.121 20 5 FEBDLO CSCC1CC[NH+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000932595741 681271137 /nfs/dbraw/zinc/27/11/37/681271137.db2.gz XQVJUKKCGIIRFA-UHFFFAOYSA-N 1 2 367.427 2.337 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000775578794 681316253 /nfs/dbraw/zinc/31/62/53/681316253.db2.gz NWZSUYFXQBGKCX-UHFFFAOYSA-N 1 2 358.807 2.203 20 5 FEBDLO C[C@@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847179861 681340822 /nfs/dbraw/zinc/34/08/22/681340822.db2.gz OPZQMGZEMLYXGP-SDDRHHMPSA-N 1 2 355.822 2.476 20 5 FEBDLO C[C@@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847179861 681340824 /nfs/dbraw/zinc/34/08/24/681340824.db2.gz OPZQMGZEMLYXGP-SDDRHHMPSA-N 1 2 355.822 2.476 20 5 FEBDLO Cc1cc(F)cc(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000847182290 681341364 /nfs/dbraw/zinc/34/13/64/681341364.db2.gz PSLJRUGAAQTQOD-UPJWGTAASA-N 1 2 353.394 2.270 20 5 FEBDLO Cc1cc(F)cc(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000847182290 681341366 /nfs/dbraw/zinc/34/13/66/681341366.db2.gz PSLJRUGAAQTQOD-UPJWGTAASA-N 1 2 353.394 2.270 20 5 FEBDLO COC[C@@H]1CC[C@H]([C@@H]2COCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)O1 ZINC000933199219 681374754 /nfs/dbraw/zinc/37/47/54/681374754.db2.gz HSKDGJPAADQGCU-OKZBNKHCSA-N 1 2 350.415 2.032 20 5 FEBDLO COC[C@@H]1CC[C@H]([C@@H]2COCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)O1 ZINC000933199219 681374759 /nfs/dbraw/zinc/37/47/59/681374759.db2.gz HSKDGJPAADQGCU-OKZBNKHCSA-N 1 2 350.415 2.032 20 5 FEBDLO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCN(CC(F)(F)C(F)F)CC2)cc1 ZINC000776582746 681410273 /nfs/dbraw/zinc/41/02/73/681410273.db2.gz BMYAZVLUYHFFOY-CYBMUJFWSA-N 1 2 365.327 2.146 20 5 FEBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000777991340 681553486 /nfs/dbraw/zinc/55/34/86/681553486.db2.gz HDXXASWIMKHKFG-GFCCVEGCSA-N 1 2 368.390 2.265 20 5 FEBDLO O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@H]1CCc2[nH+]ccn2C1 ZINC000913385678 685476147 /nfs/dbraw/zinc/47/61/47/685476147.db2.gz HEAREMCVXPXIFF-JTQLQIEISA-N 1 2 352.753 2.463 20 5 FEBDLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000788084015 682502408 /nfs/dbraw/zinc/50/24/08/682502408.db2.gz OTPOFQUBRYAYQN-CQSZACIVSA-N 1 2 351.378 2.396 20 5 FEBDLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000788084015 682502409 /nfs/dbraw/zinc/50/24/09/682502409.db2.gz OTPOFQUBRYAYQN-CQSZACIVSA-N 1 2 351.378 2.396 20 5 FEBDLO CC(C)(CCC(=O)N(CCn1cc[nH+]c1)C1CCSCC1)[N+](=O)[O-] ZINC000854412884 682548156 /nfs/dbraw/zinc/54/81/56/682548156.db2.gz VEBCUJYSSQVSBH-UHFFFAOYSA-N 1 2 354.476 2.443 20 5 FEBDLO C[NH+](C)Cc1csc(CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)n1 ZINC000927766002 683307886 /nfs/dbraw/zinc/30/78/86/683307886.db2.gz IRYJOGLJERGLGD-UHFFFAOYSA-N 1 2 356.354 2.321 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861669784 683452842 /nfs/dbraw/zinc/45/28/42/683452842.db2.gz CSKNFICRJQGKAA-NWDGAFQWSA-N 1 2 353.806 2.183 20 5 FEBDLO CCOC(=O)[C@@]1(F)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1CC ZINC000886877380 688330939 /nfs/dbraw/zinc/33/09/39/688330939.db2.gz ACGRPMCTMZPRAN-YSVLISHTSA-N 1 2 354.378 2.241 20 5 FEBDLO CCOC(=O)[C@@]1(F)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1CC ZINC000886877380 688330945 /nfs/dbraw/zinc/33/09/45/688330945.db2.gz ACGRPMCTMZPRAN-YSVLISHTSA-N 1 2 354.378 2.241 20 5 FEBDLO COc1c(O)ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1[N+](=O)[O-] ZINC000894196598 689484992 /nfs/dbraw/zinc/48/49/92/689484992.db2.gz WMIDUKLMTSDKDY-SJCJKPOMSA-N 1 2 352.387 2.079 20 5 FEBDLO COc1c(O)ccc(C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1[N+](=O)[O-] ZINC000894196598 689484994 /nfs/dbraw/zinc/48/49/94/689484994.db2.gz WMIDUKLMTSDKDY-SJCJKPOMSA-N 1 2 352.387 2.079 20 5 FEBDLO Cn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(I)n1 ZINC000894383805 689522841 /nfs/dbraw/zinc/52/28/41/689522841.db2.gz AXRANSYBAITUNV-UHFFFAOYSA-N 1 2 372.166 2.223 20 5 FEBDLO CC(C)(CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000899958344 690450003 /nfs/dbraw/zinc/45/00/03/690450003.db2.gz JRTSYDXOAIHSEM-UHFFFAOYSA-N 1 2 359.785 2.228 20 5 FEBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001164916871 721813838 /nfs/dbraw/zinc/81/38/38/721813838.db2.gz KCZLZTAREYWUQG-UHFFFAOYSA-N 1 2 360.393 2.075 20 5 FEBDLO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC001165038325 721902541 /nfs/dbraw/zinc/90/25/41/721902541.db2.gz QARVFJGNISCVGO-SNVBAGLBSA-N 1 2 373.866 2.061 20 5 FEBDLO C[C@H]1C[N@H+](CCOC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCO1 ZINC000800221445 674034189 /nfs/dbraw/zinc/03/41/89/674034189.db2.gz MTXBEHWVJHFQGA-JTQLQIEISA-N 1 2 360.769 2.194 20 5 FEBDLO C[C@H]1C[N@@H+](CCOC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCO1 ZINC000800221445 674034191 /nfs/dbraw/zinc/03/41/91/674034191.db2.gz MTXBEHWVJHFQGA-JTQLQIEISA-N 1 2 360.769 2.194 20 5 FEBDLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000016259426 539628869 /nfs/dbraw/zinc/62/88/69/539628869.db2.gz RPZSIHXNHHKGLX-SFHVURJKSA-N 1 2 355.394 2.226 20 5 FEBDLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000016259426 539628872 /nfs/dbraw/zinc/62/88/72/539628872.db2.gz RPZSIHXNHHKGLX-SFHVURJKSA-N 1 2 355.394 2.226 20 5 FEBDLO Cc1ccc(CNC(=O)C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000016565570 539633509 /nfs/dbraw/zinc/63/35/09/539633509.db2.gz YLQSXPLHXAEROZ-UHFFFAOYSA-N 1 2 368.437 2.342 20 5 FEBDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000017521531 539642446 /nfs/dbraw/zinc/64/24/46/539642446.db2.gz AVRSMTOPFNDDHK-INIZCTEOSA-N 1 2 372.406 2.396 20 5 FEBDLO O=c1[nH]cnc2cc(NCc3ccc(-n4cc[nH+]c4)nc3)c([N+](=O)[O-])cc21 ZINC000022136180 539692175 /nfs/dbraw/zinc/69/21/75/539692175.db2.gz UGBXZFXIDPIHCA-UHFFFAOYSA-N 1 2 363.337 2.024 20 5 FEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(F)cc1 ZINC000023778244 539720657 /nfs/dbraw/zinc/72/06/57/539720657.db2.gz HCTOOGBMPSRQPS-HNNXBMFYSA-N 1 2 357.345 2.325 20 5 FEBDLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])s1 ZINC000027673701 539814475 /nfs/dbraw/zinc/81/44/75/539814475.db2.gz HDVLVGSUVOZFIV-AWEZNQCLSA-N 1 2 361.423 2.287 20 5 FEBDLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])s1 ZINC000027673701 539814477 /nfs/dbraw/zinc/81/44/77/539814477.db2.gz HDVLVGSUVOZFIV-AWEZNQCLSA-N 1 2 361.423 2.287 20 5 FEBDLO O=C(NCc1cn2ccccc2[nH+]1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000045877556 540232728 /nfs/dbraw/zinc/23/27/28/540232728.db2.gz BTMFMIVZSRPHKQ-UHFFFAOYSA-N 1 2 362.349 2.358 20 5 FEBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000046834604 540273118 /nfs/dbraw/zinc/27/31/18/540273118.db2.gz GQWOFBXIERUBIP-INIZCTEOSA-N 1 2 357.341 2.498 20 5 FEBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000046834604 540273120 /nfs/dbraw/zinc/27/31/20/540273120.db2.gz GQWOFBXIERUBIP-INIZCTEOSA-N 1 2 357.341 2.498 20 5 FEBDLO Nc1c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc(F)cc1[N+](=O)[O-] ZINC000048316782 540357322 /nfs/dbraw/zinc/35/73/22/540357322.db2.gz XYQXOVYIFCABOW-UHFFFAOYSA-N 1 2 359.361 2.241 20 5 FEBDLO Cc1nn(C)c(NC[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000052488440 540467934 /nfs/dbraw/zinc/46/79/34/540467934.db2.gz WHAYXVUIWYFDBD-INIZCTEOSA-N 1 2 359.430 2.431 20 5 FEBDLO CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000052610703 540477321 /nfs/dbraw/zinc/47/73/21/540477321.db2.gz FIMGLFJUDZJWNO-HNNXBMFYSA-N 1 2 363.462 2.005 20 5 FEBDLO O=C(C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)NCc1ccc(F)cc1 ZINC000052844453 540493437 /nfs/dbraw/zinc/49/34/37/540493437.db2.gz PTJGZHIGTWQNMZ-UHFFFAOYSA-N 1 2 372.400 2.172 20 5 FEBDLO COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)c2[nH+]ccn2C)cc1 ZINC000053477796 540538481 /nfs/dbraw/zinc/53/84/81/540538481.db2.gz JFWPYIAZCIHUPN-HNNXBMFYSA-N 1 2 355.354 2.184 20 5 FEBDLO COc1cccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)c2[nH+]ccn2C)c1 ZINC000053340537 540527437 /nfs/dbraw/zinc/52/74/37/540527437.db2.gz AOLYTQPJPGQVKB-OAHLLOKOSA-N 1 2 356.338 2.449 20 5 FEBDLO COc1cc(C(=O)N(C)Cc2[nH+]ccn2C)c([N+](=O)[O-])cc1OC(F)F ZINC000053887335 540558665 /nfs/dbraw/zinc/55/86/65/540558665.db2.gz YXUYOHDTRBPEGQ-UHFFFAOYSA-N 1 2 370.312 2.211 20 5 FEBDLO Cc1ccn2cc(CNC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)[nH+]c2c1 ZINC000057255181 540782447 /nfs/dbraw/zinc/78/24/47/540782447.db2.gz CHFYJFQJQLESFQ-UHFFFAOYSA-N 1 2 354.322 2.210 20 5 FEBDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000057750901 540812995 /nfs/dbraw/zinc/81/29/95/540812995.db2.gz UHWAOPYUEGDONS-HZPDHXFCSA-N 1 2 360.458 2.221 20 5 FEBDLO COC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000066835011 541377813 /nfs/dbraw/zinc/37/78/13/541377813.db2.gz GRBQAGKBRQWKTJ-QWRGUYRKSA-N 1 2 369.805 2.460 20 5 FEBDLO COC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000066835011 541377816 /nfs/dbraw/zinc/37/78/16/541377816.db2.gz GRBQAGKBRQWKTJ-QWRGUYRKSA-N 1 2 369.805 2.460 20 5 FEBDLO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000067536184 541476431 /nfs/dbraw/zinc/47/64/31/541476431.db2.gz XQMIKPNWFVSPRM-UHFFFAOYSA-N 1 2 355.398 2.017 20 5 FEBDLO CC(=O)N(C)C1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000068576604 541611471 /nfs/dbraw/zinc/61/14/71/541611471.db2.gz QGCZHSXBPDWCBM-UHFFFAOYSA-N 1 2 359.386 2.088 20 5 FEBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000078476659 542462972 /nfs/dbraw/zinc/46/29/72/542462972.db2.gz JPAJVGGRWWRPFV-OAHLLOKOSA-N 1 2 365.455 2.010 20 5 FEBDLO O=C(c1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000071848314 221382308 /nfs/dbraw/zinc/38/23/08/221382308.db2.gz PDCZICULSIEBKW-UHFFFAOYSA-N 1 2 369.377 2.282 20 5 FEBDLO Cc1nc2[nH]ccc2c(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)[nH+]1 ZINC000081004017 542622629 /nfs/dbraw/zinc/62/26/29/542622629.db2.gz CFSXBNLOXFUHOK-UHFFFAOYSA-N 1 2 366.381 2.137 20 5 FEBDLO O=[N+]([O-])c1cccc(CCNc2[nH+]cnc3c2cnn3-c2ncccn2)c1 ZINC000092900120 542895207 /nfs/dbraw/zinc/89/52/07/542895207.db2.gz ZIYJPKVQFRKILP-UHFFFAOYSA-N 1 2 362.353 2.168 20 5 FEBDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093771322 542940124 /nfs/dbraw/zinc/94/01/24/542940124.db2.gz HVXDFHKYJZDCID-INIZCTEOSA-N 1 2 357.414 2.096 20 5 FEBDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093771322 542940122 /nfs/dbraw/zinc/94/01/22/542940122.db2.gz HVXDFHKYJZDCID-INIZCTEOSA-N 1 2 357.414 2.096 20 5 FEBDLO O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000110223511 543352314 /nfs/dbraw/zinc/35/23/14/543352314.db2.gz MWSFYRGVZSEHSJ-UHFFFAOYSA-N 1 2 373.756 2.234 20 5 FEBDLO Cc1ncc(C[NH+]2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)s1 ZINC000110555838 543360691 /nfs/dbraw/zinc/36/06/91/543360691.db2.gz IPERBRARFAYLTJ-UHFFFAOYSA-N 1 2 364.456 2.391 20 5 FEBDLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000111292981 543393882 /nfs/dbraw/zinc/39/38/82/543393882.db2.gz BBHTVXZNRVSTFF-OAHLLOKOSA-N 1 2 371.397 2.232 20 5 FEBDLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000111292981 543393885 /nfs/dbraw/zinc/39/38/85/543393885.db2.gz BBHTVXZNRVSTFF-OAHLLOKOSA-N 1 2 371.397 2.232 20 5 FEBDLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000111295835 543394511 /nfs/dbraw/zinc/39/45/11/543394511.db2.gz DHFVYPGJKHJPJT-OAHLLOKOSA-N 1 2 371.397 2.232 20 5 FEBDLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000111295835 543394513 /nfs/dbraw/zinc/39/45/13/543394513.db2.gz DHFVYPGJKHJPJT-OAHLLOKOSA-N 1 2 371.397 2.232 20 5 FEBDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000115387769 543564314 /nfs/dbraw/zinc/56/43/14/543564314.db2.gz QARVZCJJZGKZLY-UHFFFAOYSA-N 1 2 371.441 2.212 20 5 FEBDLO Cc1sc(S(=O)(=O)NCc2cn3cccc(C)c3[nH+]2)cc1[N+](=O)[O-] ZINC000125824666 543904257 /nfs/dbraw/zinc/90/42/57/543904257.db2.gz AYNOAVKDXABIRI-UHFFFAOYSA-N 1 2 366.424 2.399 20 5 FEBDLO Cc1c(CN2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000130466415 544152266 /nfs/dbraw/zinc/15/22/66/544152266.db2.gz IXEPRHVPTBTEDE-MRXNPFEDSA-N 1 2 360.458 2.032 20 5 FEBDLO Cc1c(C[NH+]2CCN([C@H](C)C(=O)N3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000130466415 544152269 /nfs/dbraw/zinc/15/22/69/544152269.db2.gz IXEPRHVPTBTEDE-MRXNPFEDSA-N 1 2 360.458 2.032 20 5 FEBDLO COC(=O)N1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000140997502 544410955 /nfs/dbraw/zinc/41/09/55/544410955.db2.gz ITZJJWZISLCJFF-UHFFFAOYSA-N 1 2 357.370 2.249 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000151275584 544523596 /nfs/dbraw/zinc/52/35/96/544523596.db2.gz ZNDNOYAGPBTSTH-SWLSCSKDSA-N 1 2 364.427 2.372 20 5 FEBDLO O=C(C[N@@H+](CCO)Cc1cccnc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000152332796 544639485 /nfs/dbraw/zinc/63/94/85/544639485.db2.gz LHIOBTAOVHKKNV-UHFFFAOYSA-N 1 2 364.789 2.076 20 5 FEBDLO O=C(C[N@H+](CCO)Cc1cccnc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000152332796 544639490 /nfs/dbraw/zinc/63/94/90/544639490.db2.gz LHIOBTAOVHKKNV-UHFFFAOYSA-N 1 2 364.789 2.076 20 5 FEBDLO COc1ccccc1CCNC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153040330 544725846 /nfs/dbraw/zinc/72/58/46/544725846.db2.gz ZKXVMDNNTFMXQI-UHFFFAOYSA-N 1 2 369.421 2.320 20 5 FEBDLO COc1ccccc1CCNC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153040330 544725850 /nfs/dbraw/zinc/72/58/50/544725850.db2.gz ZKXVMDNNTFMXQI-UHFFFAOYSA-N 1 2 369.421 2.320 20 5 FEBDLO Cc1ccc(CCNc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])c[nH+]1 ZINC000152852844 544703229 /nfs/dbraw/zinc/70/32/29/544703229.db2.gz CFUUAWHNGOIJJM-UHFFFAOYSA-N 1 2 364.427 2.203 20 5 FEBDLO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1OC ZINC000153637634 544801835 /nfs/dbraw/zinc/80/18/35/544801835.db2.gz PZBNQQVDVRCHRT-LBPRGKRZSA-N 1 2 362.386 2.265 20 5 FEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000154458580 544909351 /nfs/dbraw/zinc/90/93/51/544909351.db2.gz ASIJRCPPNFJSGA-ZCNNSNEGSA-N 1 2 372.421 2.453 20 5 FEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000154458580 544909356 /nfs/dbraw/zinc/90/93/56/544909356.db2.gz ASIJRCPPNFJSGA-ZCNNSNEGSA-N 1 2 372.421 2.453 20 5 FEBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](C)[NH+]1CCOCC1 ZINC000181598939 327737856 /nfs/dbraw/zinc/73/78/56/327737856.db2.gz HBGDPKDBZWRQTG-MNOVXSKESA-N 1 2 373.356 2.035 20 5 FEBDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cc3c(c([N+](=O)[O-])c1)OCO3)C2 ZINC000181852251 327749402 /nfs/dbraw/zinc/74/94/02/327749402.db2.gz WHIAYDGQMIZTMW-UHFFFAOYSA-N 1 2 372.381 2.379 20 5 FEBDLO Cc1nc(C2([NH2+]C[C@@H](O)COc3ccccc3[N+](=O)[O-])CCCC2)no1 ZINC000181927285 327753124 /nfs/dbraw/zinc/75/31/24/327753124.db2.gz WLLLHRVQJUQJSH-CYBMUJFWSA-N 1 2 362.386 2.085 20 5 FEBDLO COc1cc(CN2CC[NH+](Cc3ccccn3)CC2)c([N+](=O)[O-])cc1F ZINC000184231748 327857532 /nfs/dbraw/zinc/85/75/32/327857532.db2.gz VYBAMEHTJUHZIA-UHFFFAOYSA-N 1 2 360.389 2.455 20 5 FEBDLO Cc1nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)cc[nH+]1 ZINC000184941205 327891121 /nfs/dbraw/zinc/89/11/21/327891121.db2.gz QPNQZDNRWUPBLZ-UHFFFAOYSA-N 1 2 361.789 2.309 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187065769 328000166 /nfs/dbraw/zinc/00/01/66/328000166.db2.gz BLTBIBADGDRZED-UHFFFAOYSA-N 1 2 362.430 2.032 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187065769 328000167 /nfs/dbraw/zinc/00/01/67/328000167.db2.gz BLTBIBADGDRZED-UHFFFAOYSA-N 1 2 362.430 2.032 20 5 FEBDLO C[NH+](C)[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000187097143 328001985 /nfs/dbraw/zinc/00/19/85/328001985.db2.gz YVTDXJQOPAEWAY-ZDUSSCGKSA-N 1 2 366.324 2.006 20 5 FEBDLO CC[C@]1(CO)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000187113438 328002939 /nfs/dbraw/zinc/00/29/39/328002939.db2.gz OLCOGWTVMIYVLU-SFHVURJKSA-N 1 2 358.398 2.405 20 5 FEBDLO O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188457977 328087959 /nfs/dbraw/zinc/08/79/59/328087959.db2.gz FQPIXENWYPXSMI-UHFFFAOYSA-N 1 2 365.349 2.079 20 5 FEBDLO Cc1ccccc1OC[C@@H](O)C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000189463642 328150015 /nfs/dbraw/zinc/15/00/15/328150015.db2.gz LTMDEABRANLLEC-INIZCTEOSA-N 1 2 358.394 2.406 20 5 FEBDLO CCO[C@H]1C[C@]([NH2+]CCc2ccc([N+](=O)[O-])cc2)(C(=O)OC)C1(C)C ZINC000189837942 328170704 /nfs/dbraw/zinc/17/07/04/328170704.db2.gz FSVDIZXTKHTKTN-YJBOKZPZSA-N 1 2 350.415 2.474 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)NCc2ccc[nH+]c2N(C)C)c1[N+](=O)[O-] ZINC000189849437 328171368 /nfs/dbraw/zinc/17/13/68/328171368.db2.gz TYRLSUOQIRCYKR-UHFFFAOYSA-N 1 2 364.427 2.151 20 5 FEBDLO COc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc([N+](=O)[O-])c1C ZINC000190420735 328206662 /nfs/dbraw/zinc/20/66/62/328206662.db2.gz QWSKVKHQTCBPSK-UHFFFAOYSA-N 1 2 356.382 2.269 20 5 FEBDLO CCc1nnc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)[nH]1 ZINC000190649283 328221951 /nfs/dbraw/zinc/22/19/51/328221951.db2.gz ULHBTEHHCKYCLX-GFCCVEGCSA-N 1 2 372.429 2.482 20 5 FEBDLO CCc1n[nH]c(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000190649283 328221952 /nfs/dbraw/zinc/22/19/52/328221952.db2.gz ULHBTEHHCKYCLX-GFCCVEGCSA-N 1 2 372.429 2.482 20 5 FEBDLO CCc1nc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000190649283 328221954 /nfs/dbraw/zinc/22/19/54/328221954.db2.gz ULHBTEHHCKYCLX-GFCCVEGCSA-N 1 2 372.429 2.482 20 5 FEBDLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)n1 ZINC000191456021 328266781 /nfs/dbraw/zinc/26/67/81/328266781.db2.gz DOGJZWCDZGPGHF-LBPRGKRZSA-N 1 2 365.415 2.262 20 5 FEBDLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)n1 ZINC000191456021 328266782 /nfs/dbraw/zinc/26/67/82/328266782.db2.gz DOGJZWCDZGPGHF-LBPRGKRZSA-N 1 2 365.415 2.262 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1 ZINC000191710853 328278374 /nfs/dbraw/zinc/27/83/74/328278374.db2.gz CUXBZINRAHIDOK-LBPRGKRZSA-N 1 2 363.443 2.392 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC000191816112 328283461 /nfs/dbraw/zinc/28/34/61/328283461.db2.gz SUPUXBAGLAVRHU-GFCCVEGCSA-N 1 2 367.356 2.122 20 5 FEBDLO COc1cc(C[NH+]2CCN(c3ncc([N+](=O)[O-])s3)CC2)cc(OC)c1 ZINC000192475646 328321339 /nfs/dbraw/zinc/32/13/39/328321339.db2.gz XKUBVDZFYGMXKE-UHFFFAOYSA-N 1 2 364.427 2.391 20 5 FEBDLO CCOC1CC(CNc2ccc([N+](=O)[O-])c(OC)c2)([NH+]2CCOCC2)C1 ZINC000195315916 328470756 /nfs/dbraw/zinc/47/07/56/328470756.db2.gz MFMRSRIUILOFFB-UHFFFAOYSA-N 1 2 365.430 2.285 20 5 FEBDLO O=C(CN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1 ZINC000025937273 324423698 /nfs/dbraw/zinc/42/36/98/324423698.db2.gz VYJXXRXQQAMMOM-UHFFFAOYSA-N 1 2 354.410 2.351 20 5 FEBDLO O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000081702861 325192691 /nfs/dbraw/zinc/19/26/91/325192691.db2.gz KIEQQEOFWCBRDF-MSOLQXFVSA-N 1 2 364.361 2.169 20 5 FEBDLO COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000084091102 325228202 /nfs/dbraw/zinc/22/82/02/325228202.db2.gz SUOAOQISXHDLGP-CJNGLKHVSA-N 1 2 356.444 2.391 20 5 FEBDLO COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000084091102 325228205 /nfs/dbraw/zinc/22/82/05/325228205.db2.gz SUOAOQISXHDLGP-CJNGLKHVSA-N 1 2 356.444 2.391 20 5 FEBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000087025556 325270105 /nfs/dbraw/zinc/27/01/05/325270105.db2.gz RUPZXVLQLLUXHY-UHFFFAOYSA-N 1 2 354.410 2.267 20 5 FEBDLO C[NH+]1CCN(Cc2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c2)CC1 ZINC000089541006 325320993 /nfs/dbraw/zinc/32/09/93/325320993.db2.gz WUCIEDSLSKVJBQ-UHFFFAOYSA-N 1 2 370.409 2.300 20 5 FEBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c2c(c1)COCO2 ZINC000089971141 325346898 /nfs/dbraw/zinc/34/68/98/325346898.db2.gz LBGLKEFTLYUJGM-UHFFFAOYSA-N 1 2 362.304 2.351 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091083696 325373670 /nfs/dbraw/zinc/37/36/70/325373670.db2.gz ZQVZQHPTYOBSJK-LBPRGKRZSA-N 1 2 356.373 2.195 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(CC(F)F)CC1 ZINC000091083696 325373672 /nfs/dbraw/zinc/37/36/72/325373672.db2.gz ZQVZQHPTYOBSJK-LBPRGKRZSA-N 1 2 356.373 2.195 20 5 FEBDLO Cc1cccc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)[nH+]1 ZINC000116982374 326045798 /nfs/dbraw/zinc/04/57/98/326045798.db2.gz XVEGLIPETJEACN-UHFFFAOYSA-N 1 2 356.382 2.403 20 5 FEBDLO CCC[C@](C)([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(=O)OC ZINC000117340922 326057960 /nfs/dbraw/zinc/05/79/60/326057960.db2.gz SEGWTXUABLPQTN-KRWDZBQOSA-N 1 2 365.386 2.214 20 5 FEBDLO Cc1cc2[nH+]cn(C[C@@H](O)Cn3cc([N+](=O)[O-])c(C)cc3=O)c2cc1C ZINC000123365006 326429033 /nfs/dbraw/zinc/42/90/33/326429033.db2.gz KUKKYBWBSUKHRH-AWEZNQCLSA-N 1 2 356.382 2.093 20 5 FEBDLO COc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000126074524 326482687 /nfs/dbraw/zinc/48/26/87/326482687.db2.gz GMKCYHJXSRIJSL-GFCCVEGCSA-N 1 2 366.399 2.242 20 5 FEBDLO C[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000130927217 326565743 /nfs/dbraw/zinc/56/57/43/326565743.db2.gz ARSKJFZAYCJHOE-GFCCVEGCSA-N 1 2 359.423 2.133 20 5 FEBDLO O=C(NCc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccn2)CC1 ZINC000159097055 326919085 /nfs/dbraw/zinc/91/90/85/326919085.db2.gz VVYNMHMUCNGBIQ-UHFFFAOYSA-N 1 2 355.398 2.017 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000162555917 327028584 /nfs/dbraw/zinc/02/85/84/327028584.db2.gz TUKHZVGIBMLLGN-UHFFFAOYSA-N 1 2 356.386 2.356 20 5 FEBDLO CSc1ccc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000170885089 327105104 /nfs/dbraw/zinc/10/51/04/327105104.db2.gz DLXPEHBDQYMLLZ-RYUDHWBXSA-N 1 2 353.444 2.156 20 5 FEBDLO COc1ccccc1C[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000173307196 327248886 /nfs/dbraw/zinc/24/88/86/327248886.db2.gz FBOBUOLYVGRZIO-UHFFFAOYSA-N 1 2 373.409 2.345 20 5 FEBDLO COc1ccccc1C[N@@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000173307196 327248888 /nfs/dbraw/zinc/24/88/88/327248888.db2.gz FBOBUOLYVGRZIO-UHFFFAOYSA-N 1 2 373.409 2.345 20 5 FEBDLO CCOC(=O)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](C)CC ZINC000173869453 327290130 /nfs/dbraw/zinc/29/01/30/327290130.db2.gz RRTONTSVTVQAOR-WBMJQRKESA-N 1 2 374.397 2.488 20 5 FEBDLO CSc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000174473575 327329248 /nfs/dbraw/zinc/32/92/48/327329248.db2.gz NIDYZTGTOUOXEP-AWEZNQCLSA-N 1 2 365.455 2.254 20 5 FEBDLO O=C(c1ccccc1O)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000174608760 327338260 /nfs/dbraw/zinc/33/82/60/327338260.db2.gz YFXQNEDBLBIYAL-UHFFFAOYSA-N 1 2 371.393 2.137 20 5 FEBDLO Cc1ccc([C@H](O)C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000174791387 327351515 /nfs/dbraw/zinc/35/15/15/327351515.db2.gz ZEYFGIJKMKXTPX-LJQANCHMSA-N 1 2 369.421 2.395 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000247049253 328664948 /nfs/dbraw/zinc/66/49/48/328664948.db2.gz NLKHBWNKFAKMMX-KKUMJFAQSA-N 1 2 364.446 2.373 20 5 FEBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000265189141 329100671 /nfs/dbraw/zinc/10/06/71/329100671.db2.gz BYXZGMQGSJXCAM-HNNXBMFYSA-N 1 2 354.410 2.438 20 5 FEBDLO Cc1[nH]nc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c1[N+](=O)[O-] ZINC000265680504 329149492 /nfs/dbraw/zinc/14/94/92/329149492.db2.gz LPMUWLDQBBWUEN-UHFFFAOYSA-N 1 2 359.386 2.019 20 5 FEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC000266535561 329233604 /nfs/dbraw/zinc/23/36/04/329233604.db2.gz OAOQXURNNIDSIM-MRXNPFEDSA-N 1 2 360.458 2.286 20 5 FEBDLO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000266535561 329233606 /nfs/dbraw/zinc/23/36/06/329233606.db2.gz OAOQXURNNIDSIM-MRXNPFEDSA-N 1 2 360.458 2.286 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267605744 329342678 /nfs/dbraw/zinc/34/26/78/329342678.db2.gz YSSSDJDUPBHXPQ-UHFFFAOYSA-N 1 2 350.400 2.195 20 5 FEBDLO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000269219903 329497527 /nfs/dbraw/zinc/49/75/27/329497527.db2.gz ZZEKTUFQNSCVHV-UMVBOHGHSA-N 1 2 363.414 2.014 20 5 FEBDLO CC(C)[C@H](O)C1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000271859642 329731687 /nfs/dbraw/zinc/73/16/87/329731687.db2.gz KAQDKDFKZGOEET-INIZCTEOSA-N 1 2 358.398 2.307 20 5 FEBDLO C[C@H](CC[S@@](C)=O)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272569532 329792789 /nfs/dbraw/zinc/79/27/89/329792789.db2.gz VRJBXFZNHSHLKQ-BKNZZOIVSA-N 1 2 350.444 2.164 20 5 FEBDLO CCc1[nH+]c2ccccc2n1Cc1noc(Cn2ccc([N+](=O)[O-])n2)n1 ZINC000273950767 329904933 /nfs/dbraw/zinc/90/49/33/329904933.db2.gz HOYBUKKBTYVMMS-UHFFFAOYSA-N 1 2 353.342 2.183 20 5 FEBDLO CCc1n[nH]c(C(=O)N2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)c1[N+](=O)[O-] ZINC000275302547 330032683 /nfs/dbraw/zinc/03/26/83/330032683.db2.gz NASLBAQPXOAZKH-GFCCVEGCSA-N 1 2 372.429 2.351 20 5 FEBDLO CCOCCOCC[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000276158361 330124800 /nfs/dbraw/zinc/12/48/00/330124800.db2.gz HIZJNELAKCVLQJ-UHFFFAOYSA-N 1 2 350.375 2.130 20 5 FEBDLO CCOCCOCC[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000276158361 330124801 /nfs/dbraw/zinc/12/48/01/330124801.db2.gz HIZJNELAKCVLQJ-UHFFFAOYSA-N 1 2 350.375 2.130 20 5 FEBDLO CCc1cc(N)nc(SCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000279091822 330174810 /nfs/dbraw/zinc/17/48/10/330174810.db2.gz NQSJORROWDWGJA-UHFFFAOYSA-N 1 2 368.440 2.095 20 5 FEBDLO CC(C)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nncn1C ZINC000286429478 330184662 /nfs/dbraw/zinc/18/46/62/330184662.db2.gz MSXMPBWAQIMSQN-OAHLLOKOSA-N 1 2 369.385 2.036 20 5 FEBDLO CSc1ccc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000367087150 330215541 /nfs/dbraw/zinc/21/55/41/330215541.db2.gz WRNZQJLLQLPYNX-AWEZNQCLSA-N 1 2 358.423 2.498 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(O)(C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000426241376 330271500 /nfs/dbraw/zinc/27/15/00/330271500.db2.gz CWNNMJNBZNNYIX-SNVBAGLBSA-N 1 2 373.356 2.022 20 5 FEBDLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)nn1 ZINC000359971564 534305066 /nfs/dbraw/zinc/30/50/66/534305066.db2.gz CFRNWNDKHJTRDR-LBPRGKRZSA-N 1 2 365.777 2.073 20 5 FEBDLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)nn1 ZINC000359971564 534305067 /nfs/dbraw/zinc/30/50/67/534305067.db2.gz CFRNWNDKHJTRDR-LBPRGKRZSA-N 1 2 365.777 2.073 20 5 FEBDLO CC(C)C(=O)NCC[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000157648792 545764350 /nfs/dbraw/zinc/76/43/50/545764350.db2.gz PBGJQTASLPZKQB-LBPRGKRZSA-N 1 2 361.402 2.410 20 5 FEBDLO CC(C)C(=O)NCC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000157648792 545764357 /nfs/dbraw/zinc/76/43/57/545764357.db2.gz PBGJQTASLPZKQB-LBPRGKRZSA-N 1 2 361.402 2.410 20 5 FEBDLO O=C(NCCCNc1cccc[nH+]1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000157683883 545770861 /nfs/dbraw/zinc/77/08/61/545770861.db2.gz HQUUXGPJGRVPFC-UHFFFAOYSA-N 1 2 366.381 2.408 20 5 FEBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCOCC1 ZINC000180711787 547164092 /nfs/dbraw/zinc/16/40/92/547164092.db2.gz GDLCBIBWPPOIIB-UHFFFAOYSA-N 1 2 353.444 2.157 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000483051437 561265982 /nfs/dbraw/zinc/26/59/82/561265982.db2.gz MNGOZHDCLSKNNQ-HNNXBMFYSA-N 1 2 363.414 2.112 20 5 FEBDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000181565209 547337423 /nfs/dbraw/zinc/33/74/23/547337423.db2.gz GNUVRTKBWWMDPC-AWEZNQCLSA-N 1 2 355.460 2.232 20 5 FEBDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000181565209 547337427 /nfs/dbraw/zinc/33/74/27/547337427.db2.gz GNUVRTKBWWMDPC-AWEZNQCLSA-N 1 2 355.460 2.232 20 5 FEBDLO O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000483852043 561285147 /nfs/dbraw/zinc/28/51/47/561285147.db2.gz CSBJCOCJXFQCEX-UHFFFAOYSA-N 1 2 352.354 2.017 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000483936596 561287425 /nfs/dbraw/zinc/28/74/25/561287425.db2.gz ARMGMWCILOUCST-IAQYHMDHSA-N 1 2 352.366 2.061 20 5 FEBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183645510 547694456 /nfs/dbraw/zinc/69/44/56/547694456.db2.gz IZWCVCKQBFDHHR-CYBMUJFWSA-N 1 2 356.386 2.296 20 5 FEBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000184410593 547823419 /nfs/dbraw/zinc/82/34/19/547823419.db2.gz PNROIOCKAYXLPL-CYBMUJFWSA-N 1 2 355.398 2.091 20 5 FEBDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000485649647 561324891 /nfs/dbraw/zinc/32/48/91/561324891.db2.gz PTVFMGSSPKXHOJ-RHSMWYFYSA-N 1 2 369.425 2.290 20 5 FEBDLO Cc1cc(NC(=O)NCc2ccc[nH+]c2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000193657269 548393285 /nfs/dbraw/zinc/39/32/85/548393285.db2.gz HTOLBSOOCKKLLC-UHFFFAOYSA-N 1 2 371.397 2.457 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000193947855 548412123 /nfs/dbraw/zinc/41/21/23/548412123.db2.gz KWXMUAQNTMYPOZ-UHFFFAOYSA-N 1 2 359.386 2.064 20 5 FEBDLO O=[N+]([O-])c1cnc2ccccc2c1NCc1ccc[nH+]c1N1CCOCC1 ZINC000487930396 561379110 /nfs/dbraw/zinc/37/91/10/561379110.db2.gz MXEMFCRNHGKLNX-UHFFFAOYSA-N 1 2 365.393 2.409 20 5 FEBDLO COCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCO[C@@H]1C ZINC000488844187 561398039 /nfs/dbraw/zinc/39/80/39/561398039.db2.gz NRDVYTTZEHUXCD-UKRRQHHQSA-N 1 2 374.397 2.047 20 5 FEBDLO O=C(NCc1cn2ccsc2n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000247322147 549318059 /nfs/dbraw/zinc/31/80/59/549318059.db2.gz MFIZVDCWUSXIQD-UHFFFAOYSA-N 1 2 368.378 2.420 20 5 FEBDLO C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1n1cc[nH+]c1 ZINC000247665307 549370665 /nfs/dbraw/zinc/37/06/65/549370665.db2.gz QJEKCRPJFLYQEK-BXUZGUMPSA-N 1 2 368.390 2.202 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248336300 549419472 /nfs/dbraw/zinc/41/94/72/549419472.db2.gz GZACZMJWQMZRGM-AWEZNQCLSA-N 1 2 353.444 2.070 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000248336300 549419475 /nfs/dbraw/zinc/41/94/75/549419475.db2.gz GZACZMJWQMZRGM-AWEZNQCLSA-N 1 2 353.444 2.070 20 5 FEBDLO COCC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCO[C@@H]1C ZINC000489490175 561412569 /nfs/dbraw/zinc/41/25/69/561412569.db2.gz YGFWMCHINNSWPH-DOMZBBRYSA-N 1 2 362.386 2.271 20 5 FEBDLO COCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCO[C@@H]1C ZINC000489490175 561412570 /nfs/dbraw/zinc/41/25/70/561412570.db2.gz YGFWMCHINNSWPH-DOMZBBRYSA-N 1 2 362.386 2.271 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000249099874 549551093 /nfs/dbraw/zinc/55/10/93/549551093.db2.gz PFURTZUKCYROPL-SMDDNHRTSA-N 1 2 360.370 2.276 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000249099874 549551095 /nfs/dbraw/zinc/55/10/95/549551095.db2.gz PFURTZUKCYROPL-SMDDNHRTSA-N 1 2 360.370 2.276 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000249158714 549562811 /nfs/dbraw/zinc/56/28/11/549562811.db2.gz ZJZFNAFMXSIENK-ZYHUDNBSSA-N 1 2 369.805 2.318 20 5 FEBDLO 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FEBDLO CC(C)[C@@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000289040293 552256764 /nfs/dbraw/zinc/25/67/64/552256764.db2.gz XGCPRMTWPDAVAX-CQSZACIVSA-N 1 2 352.416 2.177 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289688370 552362584 /nfs/dbraw/zinc/36/25/84/552362584.db2.gz ODKDYJOSCCFPMD-SWLSCSKDSA-N 1 2 371.384 2.491 20 5 FEBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2c([N+](=O)[O-])cnn2C)C[C@H](C)O1 ZINC000501099065 561590019 /nfs/dbraw/zinc/59/00/19/561590019.db2.gz JXAFEGHYCKTDKD-STQMWFEESA-N 1 2 373.413 2.190 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000291755152 552658524 /nfs/dbraw/zinc/65/85/24/552658524.db2.gz YVGOLDFMINFLAO-HZPDHXFCSA-N 1 2 361.442 2.455 20 5 FEBDLO O=C(C[NH+]1CCC2(CC1)OCCCO2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000293054494 552784277 /nfs/dbraw/zinc/78/42/77/552784277.db2.gz RVPILRBJCRTUCJ-UHFFFAOYSA-N 1 2 369.805 2.416 20 5 FEBDLO CC(C)[C@H]1C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000293360879 552815455 /nfs/dbraw/zinc/81/54/55/552815455.db2.gz ZWPBVIYVNXHJSL-MRXNPFEDSA-N 1 2 356.444 2.115 20 5 FEBDLO CC(C)[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000293360879 552815456 /nfs/dbraw/zinc/81/54/56/552815456.db2.gz ZWPBVIYVNXHJSL-MRXNPFEDSA-N 1 2 356.444 2.115 20 5 FEBDLO O=c1nc([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)[nH][nH]1 ZINC000293440932 552823952 /nfs/dbraw/zinc/82/39/52/552823952.db2.gz BWEVJAIOMIBAFG-VIFPVBQESA-N 1 2 371.319 2.405 20 5 FEBDLO O=c1nc([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)[nH][nH]1 ZINC000293440932 552823953 /nfs/dbraw/zinc/82/39/53/552823953.db2.gz BWEVJAIOMIBAFG-VIFPVBQESA-N 1 2 371.319 2.405 20 5 FEBDLO COc1cc[nH+]cc1CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000294355624 552899733 /nfs/dbraw/zinc/89/97/33/552899733.db2.gz UYLHSRGEHYMNKJ-UHFFFAOYSA-N 1 2 371.397 2.030 20 5 FEBDLO CC(C)OCC[NH+]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000294855736 552939130 /nfs/dbraw/zinc/93/91/30/552939130.db2.gz FZFULQJDGWTNRV-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC[NH+](C2CCC2)CC1 ZINC000294860618 552939482 /nfs/dbraw/zinc/93/94/82/552939482.db2.gz AUCGDRJGOVUSDE-UHFFFAOYSA-N 1 2 355.398 2.295 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000295202521 552969218 /nfs/dbraw/zinc/96/92/18/552969218.db2.gz FLODWSHEEZHIRY-ZDUSSCGKSA-N 1 2 350.400 2.100 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295600844 553031937 /nfs/dbraw/zinc/03/19/37/553031937.db2.gz NBOHUYROZSKDLK-CHWSQXEVSA-N 1 2 364.402 2.084 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295600844 553031938 /nfs/dbraw/zinc/03/19/38/553031938.db2.gz NBOHUYROZSKDLK-CHWSQXEVSA-N 1 2 364.402 2.084 20 5 FEBDLO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000295721700 553050142 /nfs/dbraw/zinc/05/01/42/553050142.db2.gz VHNKAXQZSIZNFQ-ZJWNCGCPSA-N 1 2 368.455 2.432 20 5 FEBDLO Cc1ccc2[nH+]c(CN3CCN(c4ncccc4[N+](=O)[O-])CC3)cn2c1 ZINC000295931164 553077445 /nfs/dbraw/zinc/07/74/45/553077445.db2.gz FYRSAUUOQBMQSI-UHFFFAOYSA-N 1 2 352.398 2.268 20 5 FEBDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000298429031 553423911 /nfs/dbraw/zinc/42/39/11/553423911.db2.gz OFTGVRPLQRUCGL-UHFFFAOYSA-N 1 2 358.398 2.466 20 5 FEBDLO CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000298728559 553464755 /nfs/dbraw/zinc/46/47/55/553464755.db2.gz GJOPJSAUNIBWLC-TZMCWYRMSA-N 1 2 364.402 2.132 20 5 FEBDLO CCOC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000298728559 553464757 /nfs/dbraw/zinc/46/47/57/553464757.db2.gz GJOPJSAUNIBWLC-TZMCWYRMSA-N 1 2 364.402 2.132 20 5 FEBDLO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000299471206 553567886 /nfs/dbraw/zinc/56/78/86/553567886.db2.gz YMMODDAPZSNDRP-HNNXBMFYSA-N 1 2 371.397 2.192 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000299496775 553571589 /nfs/dbraw/zinc/57/15/89/553571589.db2.gz JVZKWLXIFKHFFY-UHFFFAOYSA-N 1 2 368.397 2.051 20 5 FEBDLO COC1(c2ccccc2)C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000504679773 561661232 /nfs/dbraw/zinc/66/12/32/561661232.db2.gz FASWEPFYNPNGIX-KRWDZBQOSA-N 1 2 358.394 2.192 20 5 FEBDLO COc1cc(F)c([N+](=O)[O-])c(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c1 ZINC000301599709 553664572 /nfs/dbraw/zinc/66/45/72/553664572.db2.gz UNWUNYMGCQWHLN-SNVBAGLBSA-N 1 2 354.407 2.356 20 5 FEBDLO CS(=O)(=O)c1ccc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000301628807 553667139 /nfs/dbraw/zinc/66/71/39/553667139.db2.gz HWDDNDKTRNLQDA-ZDUSSCGKSA-N 1 2 363.395 2.051 20 5 FEBDLO COc1cc(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)c([N+](=O)[O-])cc1F ZINC000301633362 553667218 /nfs/dbraw/zinc/66/72/18/553667218.db2.gz KCSNSQUWTYAPLB-JTQLQIEISA-N 1 2 354.407 2.356 20 5 FEBDLO Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000301757689 553677298 /nfs/dbraw/zinc/67/72/98/553677298.db2.gz AUTKWJUMUOQGHX-CYBMUJFWSA-N 1 2 373.369 2.390 20 5 FEBDLO O=[N+]([O-])c1cnc2ccc(N3CC[NH+](Cc4cccc(F)c4)CC3)nn21 ZINC000301920510 553691856 /nfs/dbraw/zinc/69/18/56/553691856.db2.gz FOADHIQHTQYWEE-UHFFFAOYSA-N 1 2 356.361 2.099 20 5 FEBDLO CC(C)c1nc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc(N(C)C)[nH+]1 ZINC000301918780 553691908 /nfs/dbraw/zinc/69/19/08/553691908.db2.gz JWGXUFYHQXFCRB-UHFFFAOYSA-N 1 2 371.445 2.296 20 5 FEBDLO CC(C)c1nc(N(C)C)nc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)[nH+]1 ZINC000301918780 553691910 /nfs/dbraw/zinc/69/19/10/553691910.db2.gz JWGXUFYHQXFCRB-UHFFFAOYSA-N 1 2 371.445 2.296 20 5 FEBDLO CC(C)c1nc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)nc(N(C)C)[nH+]1 ZINC000301941266 553693467 /nfs/dbraw/zinc/69/34/67/553693467.db2.gz USCVXFLVNDOTTA-UHFFFAOYSA-N 1 2 371.445 2.296 20 5 FEBDLO CC(C)c1nc(N(C)C)nc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000301941266 553693470 /nfs/dbraw/zinc/69/34/70/553693470.db2.gz USCVXFLVNDOTTA-UHFFFAOYSA-N 1 2 371.445 2.296 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000302102879 553704282 /nfs/dbraw/zinc/70/42/82/553704282.db2.gz QMFOLKULHCFDPA-UHFFFAOYSA-N 1 2 356.382 2.099 20 5 FEBDLO NS(=O)(=O)c1cccc(NCc2ccccc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000302153884 553707400 /nfs/dbraw/zinc/70/74/00/553707400.db2.gz LRTIMYURJVDVRW-UHFFFAOYSA-N 1 2 373.394 2.040 20 5 FEBDLO C[C@@H](O)C[NH+]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000302505163 553718800 /nfs/dbraw/zinc/71/88/00/553718800.db2.gz DPGZPMHTPUKGCV-OAHLLOKOSA-N 1 2 369.421 2.329 20 5 FEBDLO CCOC1CC(CNc2cc(F)ccc2[N+](=O)[O-])([NH+]2CCOCC2)C1 ZINC000302823018 553734770 /nfs/dbraw/zinc/73/47/70/553734770.db2.gz UHGAGAWVROBDKN-UHFFFAOYSA-N 1 2 353.394 2.416 20 5 FEBDLO COC(=O)[C@H]1CC12CC[NH+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC2 ZINC000506251961 561693945 /nfs/dbraw/zinc/69/39/45/561693945.db2.gz ATVRQDCKJKWOBY-CYBMUJFWSA-N 1 2 361.398 2.117 20 5 FEBDLO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000331436487 554264403 /nfs/dbraw/zinc/26/44/03/554264403.db2.gz CWZZTQNUZDAEMK-BXKDBHETSA-N 1 2 359.835 2.009 20 5 FEBDLO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000331436487 554264408 /nfs/dbraw/zinc/26/44/08/554264408.db2.gz CWZZTQNUZDAEMK-BXKDBHETSA-N 1 2 359.835 2.009 20 5 FEBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000511127894 561858264 /nfs/dbraw/zinc/85/82/64/561858264.db2.gz XRKBWPFIUYXZKK-UHFFFAOYSA-N 1 2 371.353 2.351 20 5 FEBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000511127894 561858266 /nfs/dbraw/zinc/85/82/66/561858266.db2.gz XRKBWPFIUYXZKK-UHFFFAOYSA-N 1 2 371.353 2.351 20 5 FEBDLO CNc1nc(-c2nc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000351090376 554835821 /nfs/dbraw/zinc/83/58/21/554835821.db2.gz MREJJPZCDDIHON-GWCFXTLKSA-N 1 2 360.374 2.007 20 5 FEBDLO CNc1nc(-c2nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000351090376 554835825 /nfs/dbraw/zinc/83/58/25/554835825.db2.gz MREJJPZCDDIHON-GWCFXTLKSA-N 1 2 360.374 2.007 20 5 FEBDLO CCCC(=O)N1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000363640229 555153160 /nfs/dbraw/zinc/15/31/60/555153160.db2.gz WGIKWOYLGJCZLX-UHFFFAOYSA-N 1 2 362.430 2.176 20 5 FEBDLO CCCC(=O)N1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000363640229 555153161 /nfs/dbraw/zinc/15/31/61/555153161.db2.gz WGIKWOYLGJCZLX-UHFFFAOYSA-N 1 2 362.430 2.176 20 5 FEBDLO CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H](c1[nH+]ccn1C)c1cccnc1 ZINC000364409359 555308028 /nfs/dbraw/zinc/30/80/28/555308028.db2.gz XUHJCJLDEZIYQT-INIZCTEOSA-N 1 2 366.381 2.370 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000364636238 555359428 /nfs/dbraw/zinc/35/94/28/555359428.db2.gz VTJCSMPOOYPGAR-FUHWJXTLSA-N 1 2 358.394 2.408 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000364636238 555359432 /nfs/dbraw/zinc/35/94/32/555359432.db2.gz VTJCSMPOOYPGAR-FUHWJXTLSA-N 1 2 358.394 2.408 20 5 FEBDLO CCOc1cccc(N2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000364902464 555432082 /nfs/dbraw/zinc/43/20/82/555432082.db2.gz CTXGUGXIRCEYEO-MRXNPFEDSA-N 1 2 362.474 2.457 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCC([C@@H]3CCOC3)CC2)cc1 ZINC000365033614 555469738 /nfs/dbraw/zinc/46/97/38/555469738.db2.gz AKERHTWTZZGYLC-OAHLLOKOSA-N 1 2 368.455 2.117 20 5 FEBDLO COc1ccc(NC(=O)C[NH+]2CCC(n3ccc(C)n3)CC2)c([N+](=O)[O-])c1 ZINC000365127030 555490947 /nfs/dbraw/zinc/49/09/47/555490947.db2.gz SUBYVROGZJZZRQ-UHFFFAOYSA-N 1 2 373.413 2.384 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000365190629 555506336 /nfs/dbraw/zinc/50/63/36/555506336.db2.gz IAMOBMJFEKVBLB-CYBMUJFWSA-N 1 2 356.382 2.397 20 5 FEBDLO Cc1[nH+]c2ccc(C(=O)N3CCC[C@H](n4cc([N+](=O)[O-])cn4)C3)cc2n1C ZINC000365413333 555568760 /nfs/dbraw/zinc/56/87/60/555568760.db2.gz XQLXXJZMACKWIF-AWEZNQCLSA-N 1 2 368.397 2.464 20 5 FEBDLO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365492008 555589339 /nfs/dbraw/zinc/58/93/39/555589339.db2.gz DSFUDLJKOFSFOW-CYBMUJFWSA-N 1 2 371.349 2.055 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)C2 ZINC000365593578 555617585 /nfs/dbraw/zinc/61/75/85/555617585.db2.gz WOXXRSMNAZMFSS-ZDUSSCGKSA-N 1 2 364.427 2.010 20 5 FEBDLO Cc1cn2c([nH+]1)CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])CC2 ZINC000365632972 555627514 /nfs/dbraw/zinc/62/75/14/555627514.db2.gz KULZPRQFUWBTMF-UHFFFAOYSA-N 1 2 352.753 2.477 20 5 FEBDLO C[C@H](C(=O)Nc1c[nH+]ccc1-n1ccnn1)c1ccc([N+](=O)[O-])cc1F ZINC000367376645 556032506 /nfs/dbraw/zinc/03/25/06/556032506.db2.gz CHTNKHFSHRYBCB-JTQLQIEISA-N 1 2 356.317 2.452 20 5 FEBDLO O=[N+]([O-])c1ccc(CN2CCCC[C@H]2C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000367456288 556055020 /nfs/dbraw/zinc/05/50/20/556055020.db2.gz BGRKHYWTMLAMKI-INIZCTEOSA-N 1 2 364.402 2.190 20 5 FEBDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000368363323 556288265 /nfs/dbraw/zinc/28/82/65/556288265.db2.gz RQUMDTFQTCGFMQ-KRWDZBQOSA-N 1 2 374.441 2.132 20 5 FEBDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000368363323 556288266 /nfs/dbraw/zinc/28/82/66/556288266.db2.gz RQUMDTFQTCGFMQ-KRWDZBQOSA-N 1 2 374.441 2.132 20 5 FEBDLO Cc1c(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000371349810 557156134 /nfs/dbraw/zinc/15/61/34/557156134.db2.gz MRIDNFWILXCYHY-JTQLQIEISA-N 1 2 359.342 2.130 20 5 FEBDLO Cc1c(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000371349810 557156137 /nfs/dbraw/zinc/15/61/37/557156137.db2.gz MRIDNFWILXCYHY-JTQLQIEISA-N 1 2 359.342 2.130 20 5 FEBDLO C[C@H](c1cccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000518792380 562118736 /nfs/dbraw/zinc/11/87/36/562118736.db2.gz HDACUCPCGXJQIT-GFCCVEGCSA-N 1 2 371.397 2.218 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)CCC2 ZINC000372243160 557420048 /nfs/dbraw/zinc/42/00/48/557420048.db2.gz QDGBKJCAPBGOSC-GFCCVEGCSA-N 1 2 362.361 2.311 20 5 FEBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)NCCc1ccccc1[N+](=O)[O-] ZINC000372646203 557528863 /nfs/dbraw/zinc/52/88/63/557528863.db2.gz YVJJQMVONNYHOR-UHFFFAOYSA-N 1 2 357.414 2.212 20 5 FEBDLO O=[N+]([O-])c1ccc(NCc2ccccc2OCC[NH+]2CCOCC2)cn1 ZINC000519668689 562139288 /nfs/dbraw/zinc/13/92/88/562139288.db2.gz OSZROWLIGQUCHZ-UHFFFAOYSA-N 1 2 358.398 2.313 20 5 FEBDLO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000374316464 557864026 /nfs/dbraw/zinc/86/40/26/557864026.db2.gz PCJFGNWYTBBWIW-INIZCTEOSA-N 1 2 369.356 2.397 20 5 FEBDLO COC(=O)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H](OC)C1 ZINC000521052046 562168675 /nfs/dbraw/zinc/16/86/75/562168675.db2.gz KMTRVMKKOXSINY-DJIMGWMZSA-N 1 2 350.415 2.474 20 5 FEBDLO Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375388828 558019348 /nfs/dbraw/zinc/01/93/48/558019348.db2.gz DZTINIQJLILLFT-MRXNPFEDSA-N 1 2 357.414 2.053 20 5 FEBDLO Cc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375388828 558019350 /nfs/dbraw/zinc/01/93/50/558019350.db2.gz DZTINIQJLILLFT-MRXNPFEDSA-N 1 2 357.414 2.053 20 5 FEBDLO O=C(N1CC[NH+]([C@H]2CCSC2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000375831253 558086386 /nfs/dbraw/zinc/08/63/86/558086386.db2.gz SCXHTTBHWGUULO-AWEZNQCLSA-N 1 2 371.409 2.336 20 5 FEBDLO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000376090527 558125760 /nfs/dbraw/zinc/12/57/60/558125760.db2.gz FPJXZIMRMOYZER-GUYCJALGSA-N 1 2 356.382 2.118 20 5 FEBDLO C[N@H+]1CC[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000376090527 558125762 /nfs/dbraw/zinc/12/57/62/558125762.db2.gz FPJXZIMRMOYZER-GUYCJALGSA-N 1 2 356.382 2.118 20 5 FEBDLO CSc1cccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000376169861 558135973 /nfs/dbraw/zinc/13/59/73/558135973.db2.gz CXNLOPVXSJIIQK-CHWSQXEVSA-N 1 2 365.455 2.252 20 5 FEBDLO COC(=O)c1cc(C)nc(N(C)Cc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000376391774 558167314 /nfs/dbraw/zinc/16/73/14/558167314.db2.gz NSNPLHYISNXKAV-UHFFFAOYSA-N 1 2 359.386 2.254 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000377319324 558314468 /nfs/dbraw/zinc/31/44/68/558314468.db2.gz ZRZRVRCOOSUAEI-QGZVFWFLSA-N 1 2 368.393 2.145 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000377319324 558314471 /nfs/dbraw/zinc/31/44/71/558314471.db2.gz ZRZRVRCOOSUAEI-QGZVFWFLSA-N 1 2 368.393 2.145 20 5 FEBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3[nH+]c(C)cn3C2)cc1OC ZINC000377373709 558328577 /nfs/dbraw/zinc/32/85/77/558328577.db2.gz NQZNHQOYKHUUGW-GFCCVEGCSA-N 1 2 374.397 2.252 20 5 FEBDLO O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000377442346 558341516 /nfs/dbraw/zinc/34/15/16/558341516.db2.gz WELUURTUSWMHJG-HUUCEWRRSA-N 1 2 371.359 2.451 20 5 FEBDLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000377784431 558419077 /nfs/dbraw/zinc/41/90/77/558419077.db2.gz QHGZOASFRXAMIG-UHFFFAOYSA-N 1 2 353.338 2.120 20 5 FEBDLO CC(C)(C)c1ccc(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000378033784 558466917 /nfs/dbraw/zinc/46/69/17/558466917.db2.gz YFJMDGUOBWVFQG-UHFFFAOYSA-N 1 2 371.397 2.070 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000408181164 558654357 /nfs/dbraw/zinc/65/43/57/558654357.db2.gz ACOPTENQJASEEX-KBPBESRZSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000408181164 558654358 /nfs/dbraw/zinc/65/43/58/558654358.db2.gz ACOPTENQJASEEX-KBPBESRZSA-N 1 2 353.444 2.151 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000408182934 558654659 /nfs/dbraw/zinc/65/46/59/558654659.db2.gz OCFQZHOONMIICC-CZUORRHYSA-N 1 2 367.471 2.405 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000408182934 558654661 /nfs/dbraw/zinc/65/46/61/558654661.db2.gz OCFQZHOONMIICC-CZUORRHYSA-N 1 2 367.471 2.405 20 5 FEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000408315042 558665691 /nfs/dbraw/zinc/66/56/91/558665691.db2.gz FCYOORFCBVYZEU-QWRGUYRKSA-N 1 2 359.423 2.146 20 5 FEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000408315042 558665694 /nfs/dbraw/zinc/66/56/94/558665694.db2.gz FCYOORFCBVYZEU-QWRGUYRKSA-N 1 2 359.423 2.146 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000408338111 558668422 /nfs/dbraw/zinc/66/84/22/558668422.db2.gz JEMWXLAROKOUHW-UHFFFAOYSA-N 1 2 353.444 2.070 20 5 FEBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000411205822 558853097 /nfs/dbraw/zinc/85/30/97/558853097.db2.gz JBYGWIPILOICQB-RBUKOAKNSA-N 1 2 366.421 2.438 20 5 FEBDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413157500 559083816 /nfs/dbraw/zinc/08/38/16/559083816.db2.gz HTXUYNBZNYLJGF-UHFFFAOYSA-N 1 2 358.398 2.218 20 5 FEBDLO CCOC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413157500 559083817 /nfs/dbraw/zinc/08/38/17/559083817.db2.gz HTXUYNBZNYLJGF-UHFFFAOYSA-N 1 2 358.398 2.218 20 5 FEBDLO C[C@@H](O)[C@H]1CCN(c2cc(N(C)CCc3ccccc3[N+](=O)[O-])[nH+]cn2)C1 ZINC000413282780 559095336 /nfs/dbraw/zinc/09/53/36/559095336.db2.gz QOLJWRASPFOWAN-ZBFHGGJFSA-N 1 2 371.441 2.271 20 5 FEBDLO C[C@@H](O)[C@H]1CCN(c2cc(N(C)CCc3ccccc3[N+](=O)[O-])nc[nH+]2)C1 ZINC000413282780 559095337 /nfs/dbraw/zinc/09/53/37/559095337.db2.gz QOLJWRASPFOWAN-ZBFHGGJFSA-N 1 2 371.441 2.271 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413286489 559095701 /nfs/dbraw/zinc/09/57/01/559095701.db2.gz ZASUUKZWQGHXJC-CMPLNLGQSA-N 1 2 360.336 2.308 20 5 FEBDLO Cc1cc(N[C@@H]2C[C@H]3CCCCN3C2=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413372354 559102927 /nfs/dbraw/zinc/10/29/27/559102927.db2.gz HKVVMVDRWZXCFO-HZPDHXFCSA-N 1 2 367.409 2.347 20 5 FEBDLO Cc1cc(NCC2([NH+]3CCOCC3)CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000413413428 559106139 /nfs/dbraw/zinc/10/61/39/559106139.db2.gz SYJVTUPQYZYXJG-UHFFFAOYSA-N 1 2 353.394 2.336 20 5 FEBDLO COc1cc(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1C ZINC000414041090 559148402 /nfs/dbraw/zinc/14/84/02/559148402.db2.gz MHKVHMXPRZTIER-UHFFFAOYSA-N 1 2 365.430 2.095 20 5 FEBDLO COc1ccc(-c2ccc(C[N@@H+]3CCO[C@H]([C@@H](C)O)C3)o2)c([N+](=O)[O-])c1 ZINC000414584888 559173572 /nfs/dbraw/zinc/17/35/72/559173572.db2.gz NERPCWXILFOZEO-XIKOKIGWSA-N 1 2 362.382 2.445 20 5 FEBDLO COc1ccc(-c2ccc(C[N@H+]3CCO[C@H]([C@@H](C)O)C3)o2)c([N+](=O)[O-])c1 ZINC000414584888 559173573 /nfs/dbraw/zinc/17/35/73/559173573.db2.gz NERPCWXILFOZEO-XIKOKIGWSA-N 1 2 362.382 2.445 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H](CCO)CC1 ZINC000422057422 559563140 /nfs/dbraw/zinc/56/31/40/559563140.db2.gz ODGIPNWSHKENKA-AWEZNQCLSA-N 1 2 358.398 2.405 20 5 FEBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000427941031 559765769 /nfs/dbraw/zinc/76/57/69/559765769.db2.gz YISSEKRXJRBUDG-UHFFFAOYSA-N 1 2 355.394 2.301 20 5 FEBDLO COc1ccc(C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000428840939 559784684 /nfs/dbraw/zinc/78/46/84/559784684.db2.gz PJSWIAFBRPZMOO-CQSZACIVSA-N 1 2 356.444 2.393 20 5 FEBDLO COc1ccc(C[N@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000428840939 559784685 /nfs/dbraw/zinc/78/46/85/559784685.db2.gz PJSWIAFBRPZMOO-CQSZACIVSA-N 1 2 356.444 2.393 20 5 FEBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000430250951 559816284 /nfs/dbraw/zinc/81/62/84/559816284.db2.gz WCPIDMBQOSUOOU-AWEZNQCLSA-N 1 2 355.398 2.480 20 5 FEBDLO CCc1cc(NC[C@@H]2CCCC(=O)N2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000432930869 559868054 /nfs/dbraw/zinc/86/80/54/559868054.db2.gz HBNIESGYWPYBBG-AWEZNQCLSA-N 1 2 355.398 2.117 20 5 FEBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCN(c2cncc3ncnn32)CC1 ZINC000434868569 559911145 /nfs/dbraw/zinc/91/11/45/559911145.db2.gz JQFAVGVMVXMBLG-UHFFFAOYSA-N 1 2 373.804 2.008 20 5 FEBDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCCO1 ZINC000439476010 559995028 /nfs/dbraw/zinc/99/50/28/559995028.db2.gz ZGEJFYPKXQPQTQ-CHWSQXEVSA-N 1 2 351.403 2.431 20 5 FEBDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCCO1 ZINC000439476010 559995029 /nfs/dbraw/zinc/99/50/29/559995029.db2.gz ZGEJFYPKXQPQTQ-CHWSQXEVSA-N 1 2 351.403 2.431 20 5 FEBDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000442828630 560058731 /nfs/dbraw/zinc/05/87/31/560058731.db2.gz RYTSZJFCSDEYQE-SFHVURJKSA-N 1 2 363.414 2.131 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000443949877 560097152 /nfs/dbraw/zinc/09/71/52/560097152.db2.gz UDQOHTBQOGGGGO-UHFFFAOYSA-N 1 2 372.429 2.295 20 5 FEBDLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000447393384 560161547 /nfs/dbraw/zinc/16/15/47/560161547.db2.gz JPKLYFAJSWIGFD-CHWSQXEVSA-N 1 2 358.822 2.094 20 5 FEBDLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000447393384 560161548 /nfs/dbraw/zinc/16/15/48/560161548.db2.gz JPKLYFAJSWIGFD-CHWSQXEVSA-N 1 2 358.822 2.094 20 5 FEBDLO CSc1cccc(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000447659754 560166059 /nfs/dbraw/zinc/16/60/59/560166059.db2.gz PRVGTXUWKTZVHR-UHFFFAOYSA-N 1 2 367.471 2.500 20 5 FEBDLO CSc1cccc(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000447659754 560166060 /nfs/dbraw/zinc/16/60/60/560166060.db2.gz PRVGTXUWKTZVHR-UHFFFAOYSA-N 1 2 367.471 2.500 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCCO[C@H]1CCOC1 ZINC000447818633 560170015 /nfs/dbraw/zinc/17/00/15/560170015.db2.gz YEHJFXIUPHTVGO-INIZCTEOSA-N 1 2 365.430 2.035 20 5 FEBDLO COc1cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])cc1F ZINC000448669874 560193424 /nfs/dbraw/zinc/19/34/24/560193424.db2.gz HWPJDGPEPDIQNW-UHFFFAOYSA-N 1 2 362.361 2.248 20 5 FEBDLO CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)[C@@H]1C[NH+]2CCC1CC2 ZINC000448957560 560208629 /nfs/dbraw/zinc/20/86/29/560208629.db2.gz WJVPVPZWNQOLNS-QGZVFWFLSA-N 1 2 355.398 2.151 20 5 FEBDLO CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H]2CCO[C@@H]21 ZINC000449928127 560245511 /nfs/dbraw/zinc/24/55/11/560245511.db2.gz PQMYRMNAUDHNPO-WQVCFCJDSA-N 1 2 356.382 2.324 20 5 FEBDLO CO[C@@H]1COCC[C@@H]1CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450687862 560270103 /nfs/dbraw/zinc/27/01/03/560270103.db2.gz BMRHVRWWYMDDLT-GDBMZVCRSA-N 1 2 358.398 2.246 20 5 FEBDLO O=C(NC[C@H]1CC12CCOCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450825827 560274834 /nfs/dbraw/zinc/27/48/34/560274834.db2.gz FNKULKQHKIITHB-CQSZACIVSA-N 1 2 356.382 2.327 20 5 FEBDLO COc1ccc2c(c1)C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CCO2 ZINC000451644324 560318909 /nfs/dbraw/zinc/31/89/09/560318909.db2.gz SKPQWXNQJJNQOJ-HNNXBMFYSA-N 1 2 374.393 2.238 20 5 FEBDLO COc1ccc2c(c1)C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CCO2 ZINC000451644324 560318910 /nfs/dbraw/zinc/31/89/10/560318910.db2.gz SKPQWXNQJJNQOJ-HNNXBMFYSA-N 1 2 374.393 2.238 20 5 FEBDLO COc1ccc(N2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)nc1 ZINC000452062057 560348811 /nfs/dbraw/zinc/34/88/11/560348811.db2.gz XCCZXOOMSCHLTH-UHFFFAOYSA-N 1 2 369.381 2.462 20 5 FEBDLO CN(C)[C@@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)c1c[nH+]cn1C ZINC000456155328 560508902 /nfs/dbraw/zinc/50/89/02/560508902.db2.gz XQRVHMAKCCMBDD-CRAIPNDOSA-N 1 2 371.441 2.337 20 5 FEBDLO CCOCC[N@@H+]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000458083549 560602482 /nfs/dbraw/zinc/60/24/82/560602482.db2.gz LKHOPNCCVJBFLP-LBPRGKRZSA-N 1 2 355.822 2.431 20 5 FEBDLO CCOCC[N@H+]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000458083549 560602483 /nfs/dbraw/zinc/60/24/83/560602483.db2.gz LKHOPNCCVJBFLP-LBPRGKRZSA-N 1 2 355.822 2.431 20 5 FEBDLO Cc1c(C(=O)Nc2cccc3[nH+]ccn32)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000460334786 560741603 /nfs/dbraw/zinc/74/16/03/560741603.db2.gz ZNDOJLXCCVFKMG-UHFFFAOYSA-N 1 2 363.337 2.384 20 5 FEBDLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000460380966 560742815 /nfs/dbraw/zinc/74/28/15/560742815.db2.gz WKJRREQMAPSZDC-UHFFFAOYSA-N 1 2 367.365 2.347 20 5 FEBDLO Cc1cc(NCC[NH+]2CCN(c3ncccn3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461789461 560783870 /nfs/dbraw/zinc/78/38/70/560783870.db2.gz UWUZZDMGEYNOPP-UHFFFAOYSA-N 1 2 360.393 2.066 20 5 FEBDLO Cc1nn(Cc2ccc(C(=O)NCCc3[nH]cc[nH+]3)cc2)c(C)c1[N+](=O)[O-] ZINC000468828274 560939908 /nfs/dbraw/zinc/93/99/08/560939908.db2.gz CWJRITRTCMEPAT-UHFFFAOYSA-N 1 2 368.397 2.152 20 5 FEBDLO Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000476071977 561110809 /nfs/dbraw/zinc/11/08/09/561110809.db2.gz PIPQRWFDADVLOV-UHFFFAOYSA-N 1 2 358.402 2.034 20 5 FEBDLO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@@H]1n1cc[nH+]c1 ZINC000531834568 562458367 /nfs/dbraw/zinc/45/83/67/562458367.db2.gz GXVDZIPVJSVIRU-DOMZBBRYSA-N 1 2 372.381 2.286 20 5 FEBDLO CC(C)c1n[nH]c(C(=O)N2CC[NH+](Cc3ccsc3)CC2)c1[N+](=O)[O-] ZINC000533817947 562519074 /nfs/dbraw/zinc/51/90/74/562519074.db2.gz RMWRETAQMZVOBF-UHFFFAOYSA-N 1 2 363.443 2.461 20 5 FEBDLO Cc1cc[nH+]cc1N1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000534094631 562525164 /nfs/dbraw/zinc/52/51/64/562525164.db2.gz SDSISRQAQAPLIP-HNNXBMFYSA-N 1 2 369.425 2.447 20 5 FEBDLO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000541619367 562616697 /nfs/dbraw/zinc/61/66/97/562616697.db2.gz RREVUYVMPDVIGU-KRWDZBQOSA-N 1 2 357.410 2.405 20 5 FEBDLO Cc1cccc(C)c1OC[C@@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000541619367 562616698 /nfs/dbraw/zinc/61/66/98/562616698.db2.gz RREVUYVMPDVIGU-KRWDZBQOSA-N 1 2 357.410 2.405 20 5 FEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000541817452 562620529 /nfs/dbraw/zinc/62/05/29/562620529.db2.gz GKKYSSYFOFVLAL-STQMWFEESA-N 1 2 355.460 2.315 20 5 FEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000541817452 562620530 /nfs/dbraw/zinc/62/05/30/562620530.db2.gz GKKYSSYFOFVLAL-STQMWFEESA-N 1 2 355.460 2.315 20 5 FEBDLO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000542046062 562625992 /nfs/dbraw/zinc/62/59/92/562625992.db2.gz UZXIJLVWPMEYGF-UHFFFAOYSA-N 1 2 373.394 2.040 20 5 FEBDLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000568522716 568046113 /nfs/dbraw/zinc/04/61/13/568046113.db2.gz ZIZOAFZEPPPZLO-PRHODGIISA-N 1 2 362.167 2.155 20 5 FEBDLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000568522716 568046114 /nfs/dbraw/zinc/04/61/14/568046114.db2.gz ZIZOAFZEPPPZLO-PRHODGIISA-N 1 2 362.167 2.155 20 5 FEBDLO Cc1noc([C@@H](C)N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000569738265 568415312 /nfs/dbraw/zinc/41/53/12/568415312.db2.gz ACYYUINVXZIIQR-SNVBAGLBSA-N 1 2 356.342 2.305 20 5 FEBDLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826184086 607942690 /nfs/dbraw/zinc/94/26/90/607942690.db2.gz KHLFCXJWPAGKEK-UHFFFAOYSA-N 1 2 366.381 2.342 20 5 FEBDLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826184086 607942691 /nfs/dbraw/zinc/94/26/91/607942691.db2.gz KHLFCXJWPAGKEK-UHFFFAOYSA-N 1 2 366.381 2.342 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000564356499 675000553 /nfs/dbraw/zinc/00/05/53/675000553.db2.gz PMUQZSUJEJLGTI-KBPBESRZSA-N 1 2 365.455 2.009 20 5 FEBDLO Cc1cc(S(=O)(=O)Nc2cnn(-c3cc[nH+]cc3)c2)ccc1[N+](=O)[O-] ZINC000609657839 675931039 /nfs/dbraw/zinc/93/10/39/675931039.db2.gz UYEREIPEWYFBCO-UHFFFAOYSA-N 1 2 359.367 2.285 20 5 FEBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(OCCO)CC2)ccc1Br ZINC000128886015 672054292 /nfs/dbraw/zinc/05/42/92/672054292.db2.gz FGYKOHOVIHXXDK-UHFFFAOYSA-N 1 2 359.220 2.331 20 5 FEBDLO CSC[C@@H](CCO)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000611560932 676044433 /nfs/dbraw/zinc/04/44/33/676044433.db2.gz OJRBEKXCNMAISD-UKRRQHHQSA-N 1 2 350.444 2.121 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000613749188 676145354 /nfs/dbraw/zinc/14/53/54/676145354.db2.gz WDPXWILBNGGUSV-UHFFFAOYSA-N 1 2 365.455 2.440 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCSC2(CCOCC2)C1 ZINC000613749188 676145356 /nfs/dbraw/zinc/14/53/56/676145356.db2.gz WDPXWILBNGGUSV-UHFFFAOYSA-N 1 2 365.455 2.440 20 5 FEBDLO CSc1cccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000597993277 673527588 /nfs/dbraw/zinc/52/75/88/673527588.db2.gz FOTZONYEDXVVNA-NEPJUHHUSA-N 1 2 353.444 2.156 20 5 FEBDLO CSc1cccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000597993277 673527595 /nfs/dbraw/zinc/52/75/95/673527595.db2.gz FOTZONYEDXVVNA-NEPJUHHUSA-N 1 2 353.444 2.156 20 5 FEBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCn2c[nH+]cc2C1 ZINC000598946281 673624340 /nfs/dbraw/zinc/62/43/40/673624340.db2.gz FQGHFWXPZPYZHD-LBPRGKRZSA-N 1 2 364.789 2.345 20 5 FEBDLO C[N@H+](CC(F)F)C1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000742237159 673715323 /nfs/dbraw/zinc/71/53/23/673715323.db2.gz ILYQNQHFVUJWNW-UHFFFAOYSA-N 1 2 357.357 2.162 20 5 FEBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000742237159 673715326 /nfs/dbraw/zinc/71/53/26/673715326.db2.gz ILYQNQHFVUJWNW-UHFFFAOYSA-N 1 2 357.357 2.162 20 5 FEBDLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)nn1 ZINC000546224542 673797830 /nfs/dbraw/zinc/79/78/30/673797830.db2.gz BKLVQJOAEBVQEI-GFCCVEGCSA-N 1 2 365.777 2.073 20 5 FEBDLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)nn1 ZINC000546224542 673797833 /nfs/dbraw/zinc/79/78/33/673797833.db2.gz BKLVQJOAEBVQEI-GFCCVEGCSA-N 1 2 365.777 2.073 20 5 FEBDLO Cc1cc(S(=O)(=O)N(C)c2ccc[nH+]c2N(C)C)c([N+](=O)[O-])s1 ZINC000601367011 673849420 /nfs/dbraw/zinc/84/94/20/673849420.db2.gz SGYVPWUSRGHQGN-UHFFFAOYSA-N 1 2 356.429 2.251 20 5 FEBDLO C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C[C@@H]1COCCO1 ZINC000602710334 673910014 /nfs/dbraw/zinc/91/00/14/673910014.db2.gz SHWBSGCHHSEUHN-MRVPVSSYSA-N 1 2 351.222 2.266 20 5 FEBDLO C[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C[C@@H]1COCCO1 ZINC000602710334 673910017 /nfs/dbraw/zinc/91/00/17/673910017.db2.gz SHWBSGCHHSEUHN-MRVPVSSYSA-N 1 2 351.222 2.266 20 5 FEBDLO Cn1cc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)c([N+](=O)[O-])n1 ZINC000602835382 673911707 /nfs/dbraw/zinc/91/17/07/673911707.db2.gz BARLZWPKYDACTF-LBPRGKRZSA-N 1 2 373.182 2.053 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000764942785 680824976 /nfs/dbraw/zinc/82/49/76/680824976.db2.gz YKEBXVAHBCRSAD-INIZCTEOSA-N 1 2 351.407 2.082 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000764942785 680824977 /nfs/dbraw/zinc/82/49/77/680824977.db2.gz YKEBXVAHBCRSAD-INIZCTEOSA-N 1 2 351.407 2.082 20 5 FEBDLO CNC(=O)NC1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000840975031 680858250 /nfs/dbraw/zinc/85/82/50/680858250.db2.gz SCADHBCJSGBFGB-UHFFFAOYSA-N 1 2 371.235 2.251 20 5 FEBDLO O=[N+]([O-])c1nn(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)cc1Br ZINC000754779384 680377167 /nfs/dbraw/zinc/37/71/67/680377167.db2.gz WMPRWBZUSJVVJT-LLVKDONJSA-N 1 2 359.224 2.260 20 5 FEBDLO O=[N+]([O-])c1nn(C[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1Br ZINC000754779384 680377171 /nfs/dbraw/zinc/37/71/71/680377171.db2.gz WMPRWBZUSJVVJT-LLVKDONJSA-N 1 2 359.224 2.260 20 5 FEBDLO O=C(NC1CC[NH+](Cc2ccc(F)cc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002781410 680507938 /nfs/dbraw/zinc/50/79/38/680507938.db2.gz BLAWQOOPEFBRAZ-UKRRQHHQSA-N 1 2 355.797 2.225 20 5 FEBDLO COc1cc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ccc1Cl ZINC001002787424 680508489 /nfs/dbraw/zinc/50/84/89/680508489.db2.gz KOHVNFMGTPHKDC-UKRRQHHQSA-N 1 2 367.833 2.094 20 5 FEBDLO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC001045436042 680629358 /nfs/dbraw/zinc/62/93/58/680629358.db2.gz FKFJPQXSGIBXMG-HUUCEWRRSA-N 1 2 353.369 2.101 20 5 FEBDLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000842961368 680977386 /nfs/dbraw/zinc/97/73/86/680977386.db2.gz HQJLYECTOVVVFJ-AAEUAGOBSA-N 1 2 372.805 2.141 20 5 FEBDLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000842961368 680977388 /nfs/dbraw/zinc/97/73/88/680977388.db2.gz HQJLYECTOVVVFJ-AAEUAGOBSA-N 1 2 372.805 2.141 20 5 FEBDLO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](C)[NH+]1CCOCC1 ZINC000770021168 681003192 /nfs/dbraw/zinc/00/31/92/681003192.db2.gz SWDYKOLZNZGDKR-QWRGUYRKSA-N 1 2 356.810 2.479 20 5 FEBDLO Cc1nn(C[N@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000779868387 681762536 /nfs/dbraw/zinc/76/25/36/681762536.db2.gz OTWJDIDKJCYQLO-AAEUAGOBSA-N 1 2 353.423 2.292 20 5 FEBDLO Cc1nn(C[N@@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000779868387 681762542 /nfs/dbraw/zinc/76/25/42/681762542.db2.gz OTWJDIDKJCYQLO-AAEUAGOBSA-N 1 2 353.423 2.292 20 5 FEBDLO COC(=O)CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000918741110 685541798 /nfs/dbraw/zinc/54/17/98/685541798.db2.gz RJPBXSWAICCJRF-UHFFFAOYSA-N 1 2 369.805 2.462 20 5 FEBDLO C[S@](=O)CC[NH+]1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000853368447 682409171 /nfs/dbraw/zinc/40/91/71/682409171.db2.gz JSOSWCNTONQBBO-DEOSSOPVSA-N 1 2 365.377 2.114 20 5 FEBDLO Cc1cc(F)cc(C(=O)NCc2nc(C[NH+](C)C)cs2)c1[N+](=O)[O-] ZINC000927769449 683308872 /nfs/dbraw/zinc/30/88/72/683308872.db2.gz UJFLZWUXUOYWMN-UHFFFAOYSA-N 1 2 352.391 2.490 20 5 FEBDLO COc1cc(C(=O)NCc2nc(C[NH+](C)C)cs2)ccc1[N+](=O)[O-] ZINC000927770717 683309496 /nfs/dbraw/zinc/30/94/96/683309496.db2.gz BROXXWYEMOUEIM-UHFFFAOYSA-N 1 2 350.400 2.052 20 5 FEBDLO CO[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCSC1 ZINC000928495221 683461588 /nfs/dbraw/zinc/46/15/88/683461588.db2.gz MSESSNGNERAWBC-MRXNPFEDSA-N 1 2 362.411 2.032 20 5 FEBDLO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000862142370 683536542 /nfs/dbraw/zinc/53/65/42/683536542.db2.gz YVKCXWAWTNRKJY-UTUOFQBUSA-N 1 2 355.822 2.476 20 5 FEBDLO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000862142370 683536545 /nfs/dbraw/zinc/53/65/45/683536545.db2.gz YVKCXWAWTNRKJY-UTUOFQBUSA-N 1 2 355.822 2.476 20 5 FEBDLO NC(=O)[C@@H](F)C1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000931222338 684243275 /nfs/dbraw/zinc/24/32/75/684243275.db2.gz YZGLTSIAUAVKBE-ZDUSSCGKSA-N 1 2 374.210 2.393 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000931297312 684257268 /nfs/dbraw/zinc/25/72/68/684257268.db2.gz HSIQFQKFKOHUJX-NSHDSACASA-N 1 2 356.810 2.433 20 5 FEBDLO COC1(OC)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1O ZINC000931636358 684316721 /nfs/dbraw/zinc/31/67/21/684316721.db2.gz VQFKITOMLAQNIS-CYBMUJFWSA-N 1 2 364.320 2.169 20 5 FEBDLO COC1(OC)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1O ZINC000931636358 684316723 /nfs/dbraw/zinc/31/67/23/684316723.db2.gz VQFKITOMLAQNIS-CYBMUJFWSA-N 1 2 364.320 2.169 20 5 FEBDLO NC(=O)[C@@H](F)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000879042200 686722390 /nfs/dbraw/zinc/72/23/90/686722390.db2.gz WTFMKEISPXQSDX-ZDUSSCGKSA-N 1 2 374.210 2.393 20 5 FEBDLO CO[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@](C)(CO)C1 ZINC000879262732 686782548 /nfs/dbraw/zinc/78/25/48/686782548.db2.gz YWPGMTJTDWBUQX-FZMZJTMJSA-N 1 2 359.220 2.329 20 5 FEBDLO CO[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@](C)(CO)C1 ZINC000879262732 686782556 /nfs/dbraw/zinc/78/25/56/686782556.db2.gz YWPGMTJTDWBUQX-FZMZJTMJSA-N 1 2 359.220 2.329 20 5 FEBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000879502570 686839452 /nfs/dbraw/zinc/83/94/52/686839452.db2.gz ZJQSULFDRYACHT-LLVKDONJSA-N 1 2 356.810 2.481 20 5 FEBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000879502570 686839461 /nfs/dbraw/zinc/83/94/61/686839461.db2.gz ZJQSULFDRYACHT-LLVKDONJSA-N 1 2 356.810 2.481 20 5 FEBDLO Cc1nn(C)c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1Cl ZINC000892079017 689147570 /nfs/dbraw/zinc/14/75/70/689147570.db2.gz WHVFFPCXJPIMQB-LLVKDONJSA-N 1 2 350.810 2.372 20 5 FEBDLO Cc1nn(C)c(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1Cl ZINC000892079017 689147572 /nfs/dbraw/zinc/14/75/72/689147572.db2.gz WHVFFPCXJPIMQB-LLVKDONJSA-N 1 2 350.810 2.372 20 5 FEBDLO O=C(Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000905233436 691086900 /nfs/dbraw/zinc/08/69/00/691086900.db2.gz VOROIQBLZNKEIQ-RISCZKNCSA-N 1 2 369.805 2.067 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906177157 691239479 /nfs/dbraw/zinc/23/94/79/691239479.db2.gz RGIIYNVTCNQVFA-GFCCVEGCSA-N 1 2 355.822 2.018 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2cn3ccccc3[nH+]2)c1C ZINC000007322741 539454911 /nfs/dbraw/zinc/45/49/11/539454911.db2.gz SFKUVOCJDYLKNL-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO CCCCNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000022810221 539700131 /nfs/dbraw/zinc/70/01/31/539700131.db2.gz JLDNHYFHGXKFQA-UHFFFAOYSA-N 1 2 371.441 2.181 20 5 FEBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000032355139 539935252 /nfs/dbraw/zinc/93/52/52/539935252.db2.gz LTFAVPVHCRMMGS-UHFFFAOYSA-N 1 2 366.381 2.396 20 5 FEBDLO CCOC(=O)c1cc(C(=O)NCc2ccc[nH+]c2N(C)C)cc([N+](=O)[O-])c1 ZINC000032686370 539947919 /nfs/dbraw/zinc/94/79/19/539947919.db2.gz SFRCVWUXXAGHPC-UHFFFAOYSA-N 1 2 372.381 2.163 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000042157624 540053641 /nfs/dbraw/zinc/05/36/41/540053641.db2.gz XWCBVMZUSFBHEY-ZDUSSCGKSA-N 1 2 353.400 2.077 20 5 FEBDLO C[C@@H]1CN(c2ccc(CNC(=O)c3csc([N+](=O)[O-])c3)c[nH+]2)CCO1 ZINC000044552981 540130493 /nfs/dbraw/zinc/13/04/93/540130493.db2.gz YMIOTKIHGKZANI-LLVKDONJSA-N 1 2 362.411 2.206 20 5 FEBDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000044735647 540139047 /nfs/dbraw/zinc/13/90/47/540139047.db2.gz DJNZNKDYUNKYAD-CQSZACIVSA-N 1 2 364.421 2.257 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000046033830 540238496 /nfs/dbraw/zinc/23/84/96/540238496.db2.gz LHQLCUHKLHFCOF-ZDUSSCGKSA-N 1 2 353.400 2.077 20 5 FEBDLO O=C(c1cccs1)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046037780 540239318 /nfs/dbraw/zinc/23/93/18/540239318.db2.gz MBAQLCKFRZYUSV-UHFFFAOYSA-N 1 2 361.423 2.493 20 5 FEBDLO NC(=O)c1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000046577463 540262342 /nfs/dbraw/zinc/26/23/42/540262342.db2.gz XCQZQANKECSKLI-QGZVFWFLSA-N 1 2 359.357 2.406 20 5 FEBDLO NC(=O)c1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000046577463 540262347 /nfs/dbraw/zinc/26/23/47/540262347.db2.gz XCQZQANKECSKLI-QGZVFWFLSA-N 1 2 359.357 2.406 20 5 FEBDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000047123460 540291081 /nfs/dbraw/zinc/29/10/81/540291081.db2.gz KFPDMNJHTHOGFG-UHFFFAOYSA-N 1 2 366.381 2.265 20 5 FEBDLO Cc1cc(N2CC[NH+](CC(=O)NCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000051621459 540439580 /nfs/dbraw/zinc/43/95/80/540439580.db2.gz QCTKFXSXSQIWIK-UHFFFAOYSA-N 1 2 368.437 2.342 20 5 FEBDLO CNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000051877327 540447086 /nfs/dbraw/zinc/44/70/86/540447086.db2.gz YUEHJEWZDRHXIZ-QGZVFWFLSA-N 1 2 355.394 2.147 20 5 FEBDLO CNC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000051877327 540447088 /nfs/dbraw/zinc/44/70/88/540447088.db2.gz YUEHJEWZDRHXIZ-QGZVFWFLSA-N 1 2 355.394 2.147 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(CCO)Cc1ccccc1 ZINC000060657877 541119766 /nfs/dbraw/zinc/11/97/66/541119766.db2.gz HQDCEOXEKNCNSL-UHFFFAOYSA-N 1 2 366.377 2.415 20 5 FEBDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000065297549 541233645 /nfs/dbraw/zinc/23/36/45/541233645.db2.gz AXTAGEKOCHRBRY-MRXNPFEDSA-N 1 2 363.414 2.294 20 5 FEBDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000065297549 541233647 /nfs/dbraw/zinc/23/36/47/541233647.db2.gz AXTAGEKOCHRBRY-MRXNPFEDSA-N 1 2 363.414 2.294 20 5 FEBDLO O=C(CSc1ncccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000065692686 541253653 /nfs/dbraw/zinc/25/36/53/541253653.db2.gz XAUKXPBZGFVSER-UHFFFAOYSA-N 1 2 372.450 2.426 20 5 FEBDLO Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000068155383 541556194 /nfs/dbraw/zinc/55/61/94/541556194.db2.gz MXBWEVXAGIDGEM-NSHDSACASA-N 1 2 354.370 2.313 20 5 FEBDLO CCCc1n[nH]c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000068231965 541566227 /nfs/dbraw/zinc/56/62/27/541566227.db2.gz OYQHRYIXKMXSNA-UHFFFAOYSA-N 1 2 357.414 2.228 20 5 FEBDLO CCCc1[nH]nc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000068231965 541566228 /nfs/dbraw/zinc/56/62/28/541566228.db2.gz OYQHRYIXKMXSNA-UHFFFAOYSA-N 1 2 357.414 2.228 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000072583476 541835342 /nfs/dbraw/zinc/83/53/42/541835342.db2.gz CGKGYZVRFTVLOF-KRWDZBQOSA-N 1 2 374.441 2.319 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000072583476 541835346 /nfs/dbraw/zinc/83/53/46/541835346.db2.gz CGKGYZVRFTVLOF-KRWDZBQOSA-N 1 2 374.441 2.319 20 5 FEBDLO CC(=O)N1CC[NH+](CCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000080571017 542595100 /nfs/dbraw/zinc/59/51/00/542595100.db2.gz UMSZIRGVNUBBBF-UHFFFAOYSA-N 1 2 360.336 2.190 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000091978245 542834556 /nfs/dbraw/zinc/83/45/56/542834556.db2.gz QDRMZZKOEBKXOJ-UHFFFAOYSA-N 1 2 371.422 2.491 20 5 FEBDLO COc1ccccc1C[N@H+](CCO)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000103144018 543095051 /nfs/dbraw/zinc/09/50/51/543095051.db2.gz PMWUOGONUBTPFJ-UHFFFAOYSA-N 1 2 373.409 2.345 20 5 FEBDLO COc1ccccc1C[N@@H+](CCO)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000103144018 543095053 /nfs/dbraw/zinc/09/50/53/543095053.db2.gz PMWUOGONUBTPFJ-UHFFFAOYSA-N 1 2 373.409 2.345 20 5 FEBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@H]1CCCO1 ZINC000110850319 543370073 /nfs/dbraw/zinc/37/00/73/543370073.db2.gz QOPSYOWNLYEJPT-LLVKDONJSA-N 1 2 372.219 2.407 20 5 FEBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@H]1CCCO1 ZINC000110850319 543370076 /nfs/dbraw/zinc/37/00/76/543370076.db2.gz QOPSYOWNLYEJPT-LLVKDONJSA-N 1 2 372.219 2.407 20 5 FEBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000113943626 543499325 /nfs/dbraw/zinc/49/93/25/543499325.db2.gz WWADZGXJLJGMBB-HNNXBMFYSA-N 1 2 367.402 2.315 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCS[C@H]4COCC[C@H]43)n2)c1 ZINC000247494499 549343517 /nfs/dbraw/zinc/34/35/17/549343517.db2.gz ZVMUYADJBYYWML-KGLIPLIRSA-N 1 2 362.411 2.351 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCS[C@H]4COCC[C@H]43)n2)c1 ZINC000247494499 549343520 /nfs/dbraw/zinc/34/35/20/549343520.db2.gz ZVMUYADJBYYWML-KGLIPLIRSA-N 1 2 362.411 2.351 20 5 FEBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cnc(N3CCOCC3)s1)C2 ZINC000126969540 543965867 /nfs/dbraw/zinc/96/58/67/543965867.db2.gz BOCBBKZWYIYJMQ-UHFFFAOYSA-N 1 2 360.439 2.446 20 5 FEBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cnc(N3CCOCC3)s1)C2 ZINC000126969540 543965871 /nfs/dbraw/zinc/96/58/71/543965871.db2.gz BOCBBKZWYIYJMQ-UHFFFAOYSA-N 1 2 360.439 2.446 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c3cccnc13)C2 ZINC000132304117 544226644 /nfs/dbraw/zinc/22/66/44/544226644.db2.gz CGSBQDPIJYMYPS-GFCCVEGCSA-N 1 2 351.366 2.393 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135736830 544360059 /nfs/dbraw/zinc/36/00/59/544360059.db2.gz IDTQTGOHAQUILJ-AWEZNQCLSA-N 1 2 373.862 2.248 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135736830 544360061 /nfs/dbraw/zinc/36/00/61/544360061.db2.gz IDTQTGOHAQUILJ-AWEZNQCLSA-N 1 2 373.862 2.248 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000147028109 544444073 /nfs/dbraw/zinc/44/40/73/544444073.db2.gz VLDVYOKBAFWTGD-UHFFFAOYSA-N 1 2 356.382 2.397 20 5 FEBDLO COc1cc(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000152483069 544660034 /nfs/dbraw/zinc/66/00/34/544660034.db2.gz UDTRADSLAMWBSZ-AWEZNQCLSA-N 1 2 356.382 2.397 20 5 FEBDLO O=[N+]([O-])c1ccc2oc(CN3CC[NH+](Cc4ccncc4)CC3)nc2c1 ZINC000153203279 544746659 /nfs/dbraw/zinc/74/66/59/544746659.db2.gz ZXTKDNFFFYHERR-UHFFFAOYSA-N 1 2 353.382 2.449 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)ccc1Cl ZINC000154731526 544942709 /nfs/dbraw/zinc/94/27/09/544942709.db2.gz UIESMNLSGFSXAA-ZDUSSCGKSA-N 1 2 373.862 2.248 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)ccc1Cl ZINC000154731526 544942712 /nfs/dbraw/zinc/94/27/12/544942712.db2.gz UIESMNLSGFSXAA-ZDUSSCGKSA-N 1 2 373.862 2.248 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000180399655 327684380 /nfs/dbraw/zinc/68/43/80/327684380.db2.gz KTNNVGRPIIOROQ-UHFFFAOYSA-N 1 2 365.393 2.201 20 5 FEBDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000191172969 328252801 /nfs/dbraw/zinc/25/28/01/328252801.db2.gz ZCHBCJWSEPIJEV-INWMFGNUSA-N 1 2 372.381 2.418 20 5 FEBDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000191172969 328252802 /nfs/dbraw/zinc/25/28/02/328252802.db2.gz ZCHBCJWSEPIJEV-INWMFGNUSA-N 1 2 372.381 2.418 20 5 FEBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000192129532 328301311 /nfs/dbraw/zinc/30/13/11/328301311.db2.gz WLJNGLPJNPPORD-UHFFFAOYSA-N 1 2 373.413 2.231 20 5 FEBDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000079954226 325111533 /nfs/dbraw/zinc/11/15/33/325111533.db2.gz PGHFZHBONVUEOS-KRWDZBQOSA-N 1 2 374.485 2.156 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000080279928 325127035 /nfs/dbraw/zinc/12/70/35/325127035.db2.gz GGBGENPCYSXHAM-UHFFFAOYSA-N 1 2 350.400 2.189 20 5 FEBDLO CC(C)C(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000108181253 325638435 /nfs/dbraw/zinc/63/84/35/325638435.db2.gz UMUSAXJPHVYTND-CYBMUJFWSA-N 1 2 362.430 2.158 20 5 FEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000110563334 325689195 /nfs/dbraw/zinc/68/91/95/325689195.db2.gz JDPBORSKSHGQLN-UHFFFAOYSA-N 1 2 364.409 2.498 20 5 FEBDLO COCC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(F)F ZINC000117339121 326058422 /nfs/dbraw/zinc/05/84/22/326058422.db2.gz XMQSGKKFSCXNCB-UHFFFAOYSA-N 1 2 359.329 2.106 20 5 FEBDLO COCC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(F)F ZINC000117339121 326058424 /nfs/dbraw/zinc/05/84/24/326058424.db2.gz XMQSGKKFSCXNCB-UHFFFAOYSA-N 1 2 359.329 2.106 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000120819292 326290771 /nfs/dbraw/zinc/29/07/71/326290771.db2.gz XMVWAZAHUKNBCD-UHFFFAOYSA-N 1 2 370.409 2.370 20 5 FEBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121401847 326335823 /nfs/dbraw/zinc/33/58/23/326335823.db2.gz IYQVDUWNLGQKEV-CQSZACIVSA-N 1 2 361.329 2.188 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000121775139 326365871 /nfs/dbraw/zinc/36/58/71/326365871.db2.gz KDRLHHSKEZBAOL-ZDUSSCGKSA-N 1 2 371.397 2.279 20 5 FEBDLO COCCCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000122439448 326396731 /nfs/dbraw/zinc/39/67/31/326396731.db2.gz KLHMULRWXTZHLR-AWEZNQCLSA-N 1 2 365.430 2.439 20 5 FEBDLO Cc1c([N+](=O)[O-])cc(C(=O)NCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000127073100 326499796 /nfs/dbraw/zinc/49/97/96/326499796.db2.gz CFJWVUDIDIQAER-UHFFFAOYSA-N 1 2 359.342 2.438 20 5 FEBDLO Cc1nn(C)c(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1[N+](=O)[O-] ZINC000128649254 326527521 /nfs/dbraw/zinc/52/75/21/326527521.db2.gz QSALUKMBHXMJTP-LBPRGKRZSA-N 1 2 363.443 2.217 20 5 FEBDLO CCc1n[nH]c(C(=O)NCCCn2c(C)[nH+]c3ccccc32)c1[N+](=O)[O-] ZINC000171371440 327135234 /nfs/dbraw/zinc/13/52/34/327135234.db2.gz HVGHXXOXBRLETP-UHFFFAOYSA-N 1 2 356.386 2.359 20 5 FEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000172740621 327216058 /nfs/dbraw/zinc/21/60/58/327216058.db2.gz CYHUSIBBHWWNCY-LJQANCHMSA-N 1 2 369.421 2.327 20 5 FEBDLO CNC(=O)CC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000175029404 327369251 /nfs/dbraw/zinc/36/92/51/327369251.db2.gz ZQOIIJWCXUJYRB-UHFFFAOYSA-N 1 2 368.821 2.035 20 5 FEBDLO CCCc1n[nH]c(C(=O)NCC[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000264678569 329047682 /nfs/dbraw/zinc/04/76/82/329047682.db2.gz OLLZOUWZVPSOQQ-UHFFFAOYSA-N 1 2 363.443 2.120 20 5 FEBDLO CCCc1n[nH]c(C(=O)NCC[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000264678569 329047683 /nfs/dbraw/zinc/04/76/83/329047683.db2.gz OLLZOUWZVPSOQQ-UHFFFAOYSA-N 1 2 363.443 2.120 20 5 FEBDLO CC1(C)C[NH+]=C(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)S1 ZINC000265768144 329158362 /nfs/dbraw/zinc/15/83/62/329158362.db2.gz DJSCIRYAMVZUFZ-UHFFFAOYSA-N 1 2 366.418 2.373 20 5 FEBDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)S1 ZINC000266714885 329252213 /nfs/dbraw/zinc/25/22/13/329252213.db2.gz RHTRWWUDUNWPHP-SNVBAGLBSA-N 1 2 368.846 2.497 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267579869 329339925 /nfs/dbraw/zinc/33/99/25/329339925.db2.gz QOLPPRNRITUMQD-UHFFFAOYSA-N 1 2 350.400 2.195 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000268084000 329383461 /nfs/dbraw/zinc/38/34/61/329383461.db2.gz WLXFFDMKAVCEEK-GFCCVEGCSA-N 1 2 350.400 2.195 20 5 FEBDLO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000272424241 329780338 /nfs/dbraw/zinc/78/03/38/329780338.db2.gz FKIUBINTRPQRLF-AWEZNQCLSA-N 1 2 364.427 2.070 20 5 FEBDLO Cc1cc(N2CCOC[C@@H]2C[C@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000274303663 329936288 /nfs/dbraw/zinc/93/62/88/329936288.db2.gz ORLRQXJKIWXMAW-BBRMVZONSA-N 1 2 358.398 2.336 20 5 FEBDLO CCOC(=O)N1CC[C@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000274517329 329956790 /nfs/dbraw/zinc/95/67/90/329956790.db2.gz XGZKSMWZKQZJGC-HOCLYGCPSA-N 1 2 373.413 2.238 20 5 FEBDLO Cc1noc(C)c1C[NH+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000275376322 330041491 /nfs/dbraw/zinc/04/14/91/330041491.db2.gz OGIYDPJEYCLLCL-UHFFFAOYSA-N 1 2 357.414 2.490 20 5 FEBDLO CSc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000367087151 330215517 /nfs/dbraw/zinc/21/55/17/330215517.db2.gz WRNZQJLLQLPYNX-CQSZACIVSA-N 1 2 358.423 2.498 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000377939672 330253721 /nfs/dbraw/zinc/25/37/21/330253721.db2.gz KFMXTAKBPGKRMN-UHFFFAOYSA-N 1 2 369.223 2.124 20 5 FEBDLO CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(C)(C)C[NH+]1CCOCC1 ZINC000414055063 330258196 /nfs/dbraw/zinc/25/81/96/330258196.db2.gz WMLHBCSYGRLPQQ-UHFFFAOYSA-N 1 2 360.414 2.259 20 5 FEBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(O)(C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000426246411 330271680 /nfs/dbraw/zinc/27/16/80/330271680.db2.gz RSNIHGLMXLWJSP-UHFFFAOYSA-N 1 2 373.356 2.024 20 5 FEBDLO CCOCCO[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000157586762 545757448 /nfs/dbraw/zinc/75/74/48/545757448.db2.gz WBELICVCMJAXJV-ZDUSSCGKSA-N 1 2 371.821 2.314 20 5 FEBDLO CCOCCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000157586762 545757453 /nfs/dbraw/zinc/75/74/53/545757453.db2.gz WBELICVCMJAXJV-ZDUSSCGKSA-N 1 2 371.821 2.314 20 5 FEBDLO CCOCCO[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000157633450 545763748 /nfs/dbraw/zinc/76/37/48/545763748.db2.gz AIHGUNWSNGLRII-ZDUSSCGKSA-N 1 2 371.821 2.314 20 5 FEBDLO CCOCCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000157633450 545763751 /nfs/dbraw/zinc/76/37/51/545763751.db2.gz AIHGUNWSNGLRII-ZDUSSCGKSA-N 1 2 371.821 2.314 20 5 FEBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000477715308 561151910 /nfs/dbraw/zinc/15/19/10/561151910.db2.gz XNEJHBDFUAPWNZ-UHFFFAOYSA-N 1 2 357.366 2.385 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(CSCC[NH+]3CCOCC3)n2)cc1 ZINC000160060858 546004728 /nfs/dbraw/zinc/00/47/28/546004728.db2.gz XIOHSCVOMZVGAG-UHFFFAOYSA-N 1 2 350.400 2.210 20 5 FEBDLO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000178028274 546725083 /nfs/dbraw/zinc/72/50/83/546725083.db2.gz CKPUHVBZWNSFIH-UHFFFAOYSA-N 1 2 373.756 2.151 20 5 FEBDLO CCOC(=O)[C@H](CC)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000481756376 561241010 /nfs/dbraw/zinc/24/10/10/561241010.db2.gz MVBQMHDUNNQSPK-HNNXBMFYSA-N 1 2 365.430 2.457 20 5 FEBDLO CC[C@H](C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(=O)OC(C)(C)C ZINC000179850016 547021144 /nfs/dbraw/zinc/02/11/44/547021144.db2.gz QDCHRWZKGUCQII-WFASDCNBSA-N 1 2 353.419 2.103 20 5 FEBDLO CCOC[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000182246774 547459875 /nfs/dbraw/zinc/45/98/75/547459875.db2.gz IQZMAQJSWNJZCT-CQSZACIVSA-N 1 2 356.444 2.117 20 5 FEBDLO CCOC[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000182246774 547459877 /nfs/dbraw/zinc/45/98/77/547459877.db2.gz IQZMAQJSWNJZCT-CQSZACIVSA-N 1 2 356.444 2.117 20 5 FEBDLO COc1cc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c([N+](=O)[O-])cc1F ZINC000184245199 547793396 /nfs/dbraw/zinc/79/33/96/547793396.db2.gz BAYARETWCGFMBP-UHFFFAOYSA-N 1 2 351.378 2.233 20 5 FEBDLO Cc1cnc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000185006311 547916475 /nfs/dbraw/zinc/91/64/75/547916475.db2.gz HMVDZWBYMLDGON-NSHDSACASA-N 1 2 355.441 2.484 20 5 FEBDLO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000185214864 547952787 /nfs/dbraw/zinc/95/27/87/547952787.db2.gz NSWPYKCQLDPYDF-NEPJUHHUSA-N 1 2 364.402 2.366 20 5 FEBDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486001954 561334726 /nfs/dbraw/zinc/33/47/26/561334726.db2.gz IEQGIXXEKQDQCQ-INIZCTEOSA-N 1 2 373.413 2.192 20 5 FEBDLO C[N@H+]1CCO[C@H](CN(CC2CC2)c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486001954 561334727 /nfs/dbraw/zinc/33/47/27/561334727.db2.gz IEQGIXXEKQDQCQ-INIZCTEOSA-N 1 2 373.413 2.192 20 5 FEBDLO O=C1C[C@H]([N@@H+]2CCc3sccc3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000194021154 548424074 /nfs/dbraw/zinc/42/40/74/548424074.db2.gz MRPONQZENLQXER-AWEZNQCLSA-N 1 2 357.391 2.347 20 5 FEBDLO O=C1C[C@H]([N@H+]2CCc3sccc3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000194021154 548424079 /nfs/dbraw/zinc/42/40/79/548424079.db2.gz MRPONQZENLQXER-AWEZNQCLSA-N 1 2 357.391 2.347 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1 ZINC000486630059 561352813 /nfs/dbraw/zinc/35/28/13/561352813.db2.gz UBPSSPIEVDBIEJ-OAHLLOKOSA-N 1 2 355.460 2.172 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1 ZINC000486630059 561352814 /nfs/dbraw/zinc/35/28/14/561352814.db2.gz UBPSSPIEVDBIEJ-OAHLLOKOSA-N 1 2 355.460 2.172 20 5 FEBDLO Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(N)[nH+]c2)ccc1[N+](=O)[O-] ZINC000237843974 548858329 /nfs/dbraw/zinc/85/83/29/548858329.db2.gz RRSZXJFMPVXFHV-HNNXBMFYSA-N 1 2 369.381 2.124 20 5 FEBDLO CCO[C@@H](C)c1noc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000245456905 548926091 /nfs/dbraw/zinc/92/60/91/548926091.db2.gz UDHMBWMXNNNJPC-NWDGAFQWSA-N 1 2 362.390 2.157 20 5 FEBDLO CCO[C@@H](C)c1noc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000245456905 548926094 /nfs/dbraw/zinc/92/60/94/548926094.db2.gz UDHMBWMXNNNJPC-NWDGAFQWSA-N 1 2 362.390 2.157 20 5 FEBDLO CN(Cc1ccccc1[N+](=O)[O-])c1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000248848214 549512647 /nfs/dbraw/zinc/51/26/47/549512647.db2.gz BDYXNAAUFYFZRP-HNNXBMFYSA-N 1 2 357.414 2.372 20 5 FEBDLO CN(Cc1ccccc1[N+](=O)[O-])c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000248848214 549512650 /nfs/dbraw/zinc/51/26/50/549512650.db2.gz BDYXNAAUFYFZRP-HNNXBMFYSA-N 1 2 357.414 2.372 20 5 FEBDLO CCc1n[nH]c(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000255670105 549707533 /nfs/dbraw/zinc/70/75/33/549707533.db2.gz RGTVKBNUQPVQTL-TWGQIWQCSA-N 1 2 369.425 2.352 20 5 FEBDLO CCc1[nH]nc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000255670105 549707539 /nfs/dbraw/zinc/70/75/39/549707539.db2.gz RGTVKBNUQPVQTL-TWGQIWQCSA-N 1 2 369.425 2.352 20 5 FEBDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000268443041 550066202 /nfs/dbraw/zinc/06/62/02/550066202.db2.gz HLLVLMYIWCDUSW-DGCLKSJQSA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000268443041 550066205 /nfs/dbraw/zinc/06/62/05/550066205.db2.gz HLLVLMYIWCDUSW-DGCLKSJQSA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000268443041 550066208 /nfs/dbraw/zinc/06/62/08/550066208.db2.gz HLLVLMYIWCDUSW-DGCLKSJQSA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000268443041 550066210 /nfs/dbraw/zinc/06/62/10/550066210.db2.gz HLLVLMYIWCDUSW-DGCLKSJQSA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)[nH]1 ZINC000268440461 550066643 /nfs/dbraw/zinc/06/66/43/550066643.db2.gz GTGJRAKSYXUMNW-ZDUSSCGKSA-N 1 2 358.402 2.148 20 5 FEBDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)[nH]1 ZINC000268440461 550066644 /nfs/dbraw/zinc/06/66/44/550066644.db2.gz GTGJRAKSYXUMNW-ZDUSSCGKSA-N 1 2 358.402 2.148 20 5 FEBDLO COc1ccc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000269983579 550241251 /nfs/dbraw/zinc/24/12/51/550241251.db2.gz QEBGXYSTARDYIG-CQSZACIVSA-N 1 2 371.397 2.077 20 5 FEBDLO CCS(=O)(=O)CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270226995 550254905 /nfs/dbraw/zinc/25/49/05/550254905.db2.gz OBEYDEPRCGDWIK-UHFFFAOYSA-N 1 2 350.400 2.207 20 5 FEBDLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271094423 550339666 /nfs/dbraw/zinc/33/96/66/550339666.db2.gz XZLQDKHVOLUGGU-LLVKDONJSA-N 1 2 358.354 2.350 20 5 FEBDLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271094423 550339667 /nfs/dbraw/zinc/33/96/67/550339667.db2.gz XZLQDKHVOLUGGU-LLVKDONJSA-N 1 2 358.354 2.350 20 5 FEBDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494176781 561463925 /nfs/dbraw/zinc/46/39/25/561463925.db2.gz RRSDBAVTYPXJPT-NSHDSACASA-N 1 2 361.851 2.152 20 5 FEBDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494176781 561463926 /nfs/dbraw/zinc/46/39/26/561463926.db2.gz RRSDBAVTYPXJPT-NSHDSACASA-N 1 2 361.851 2.152 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494290955 561466579 /nfs/dbraw/zinc/46/65/79/561466579.db2.gz RENJBGHLKGVLQN-UHFFFAOYSA-N 1 2 361.373 2.475 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494290955 561466580 /nfs/dbraw/zinc/46/65/80/561466580.db2.gz RENJBGHLKGVLQN-UHFFFAOYSA-N 1 2 361.373 2.475 20 5 FEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272093154 550422205 /nfs/dbraw/zinc/42/22/05/550422205.db2.gz JJLGNZIIAHSLEC-LLVKDONJSA-N 1 2 351.794 2.375 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(CCCO)CC1 ZINC000272822247 550472250 /nfs/dbraw/zinc/47/22/50/550472250.db2.gz KIPNVFPTDRKGHS-UHFFFAOYSA-N 1 2 358.398 2.405 20 5 FEBDLO COc1ccc(NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1[N+](=O)[O-] ZINC000273624430 550505904 /nfs/dbraw/zinc/50/59/04/550505904.db2.gz OEPWENSZEQAQPX-UHFFFAOYSA-N 1 2 372.385 2.056 20 5 FEBDLO O=[N+]([O-])c1ccccc1OCc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000278227552 550762894 /nfs/dbraw/zinc/76/28/94/550762894.db2.gz YEMQGZYBBZNZNF-SWLSCSKDSA-N 1 2 360.370 2.483 20 5 FEBDLO O=[N+]([O-])c1ccccc1OCc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000278227552 550762895 /nfs/dbraw/zinc/76/28/95/550762895.db2.gz YEMQGZYBBZNZNF-SWLSCSKDSA-N 1 2 360.370 2.483 20 5 FEBDLO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000278282644 550768588 /nfs/dbraw/zinc/76/85/88/550768588.db2.gz KFQNFASAWOKXRM-WFASDCNBSA-N 1 2 358.822 2.094 20 5 FEBDLO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000278282644 550768589 /nfs/dbraw/zinc/76/85/89/550768589.db2.gz KFQNFASAWOKXRM-WFASDCNBSA-N 1 2 358.822 2.094 20 5 FEBDLO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)CCn1cc([N+](=O)[O-])cn1)CCCC2 ZINC000279238863 550868313 /nfs/dbraw/zinc/86/83/13/550868313.db2.gz RIVMDDMZCGKXJL-INIZCTEOSA-N 1 2 372.429 2.157 20 5 FEBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H](C2CC2)O1 ZINC000279313340 550876658 /nfs/dbraw/zinc/87/66/58/550876658.db2.gz FIZFKVAEOTYPBD-SJCJKPOMSA-N 1 2 356.382 2.420 20 5 FEBDLO C[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC2(CCOCC2)O1 ZINC000279831274 550933833 /nfs/dbraw/zinc/93/38/33/550933833.db2.gz RAWOHPXXXQGWQA-ZDUSSCGKSA-N 1 2 374.397 2.415 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC2(CCOCC2)O1 ZINC000279831274 550933835 /nfs/dbraw/zinc/93/38/35/550933835.db2.gz RAWOHPXXXQGWQA-ZDUSSCGKSA-N 1 2 374.397 2.415 20 5 FEBDLO Cc1cc(NC[C@@H](CO)[C@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000280157999 550966273 /nfs/dbraw/zinc/96/62/73/550966273.db2.gz ALFPHQSNJVPVAA-GJZGRUSLSA-N 1 2 358.398 2.417 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000280250999 550974383 /nfs/dbraw/zinc/97/43/83/550974383.db2.gz BXXDEGBXXNAZIM-DEYYWGMASA-N 1 2 363.414 2.110 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCO[C@@]3(CCO[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000280250999 550974384 /nfs/dbraw/zinc/97/43/84/550974384.db2.gz BXXDEGBXXNAZIM-DEYYWGMASA-N 1 2 363.414 2.110 20 5 FEBDLO Cc1[nH]nc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000282805978 551272429 /nfs/dbraw/zinc/27/24/29/551272429.db2.gz OMTGNMWXQVZDIO-GFCCVEGCSA-N 1 2 358.402 2.179 20 5 FEBDLO Cc1n[nH]c(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000282805978 551272431 /nfs/dbraw/zinc/27/24/31/551272431.db2.gz OMTGNMWXQVZDIO-GFCCVEGCSA-N 1 2 358.402 2.179 20 5 FEBDLO CCOc1cc(N2CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000282900230 551283250 /nfs/dbraw/zinc/28/32/50/551283250.db2.gz WTXPWAQAWZAEAC-ZZXKWVIFSA-N 1 2 371.397 2.079 20 5 FEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284294440 551517080 /nfs/dbraw/zinc/51/70/80/551517080.db2.gz ZODFRQDRYRPAPX-MAZHCROVSA-N 1 2 365.455 2.007 20 5 FEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284294440 551517081 /nfs/dbraw/zinc/51/70/81/551517081.db2.gz ZODFRQDRYRPAPX-MAZHCROVSA-N 1 2 365.455 2.007 20 5 FEBDLO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000286277864 551868862 /nfs/dbraw/zinc/86/88/62/551868862.db2.gz DUTBRKTYURDPKU-MNOVXSKESA-N 1 2 359.473 2.123 20 5 FEBDLO O=[N+]([O-])c1cc2c(ncnc2NCc2ccc[nH+]c2N2CCOCC2)s1 ZINC000286278670 551869147 /nfs/dbraw/zinc/86/91/47/551869147.db2.gz WYFKOKUOONOFIP-UHFFFAOYSA-N 1 2 372.410 2.443 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000287429944 552003293 /nfs/dbraw/zinc/00/32/93/552003293.db2.gz QPGZTHMIFXXQED-DOMZBBRYSA-N 1 2 367.833 2.112 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000289355910 552306455 /nfs/dbraw/zinc/30/64/55/552306455.db2.gz MBMDYRDIVLESQR-DGCLKSJQSA-N 1 2 353.806 2.183 20 5 FEBDLO C[C@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCC1(F)F ZINC000289730419 552368868 /nfs/dbraw/zinc/36/88/68/552368868.db2.gz IZRFMLDVXSYGFQ-VIFPVBQESA-N 1 2 357.313 2.239 20 5 FEBDLO C[C@H]1C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCC1(F)F ZINC000289730419 552368872 /nfs/dbraw/zinc/36/88/72/552368872.db2.gz IZRFMLDVXSYGFQ-VIFPVBQESA-N 1 2 357.313 2.239 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000290079207 552424258 /nfs/dbraw/zinc/42/42/58/552424258.db2.gz YVVFFKQKVAQWCB-HIFRSBDPSA-N 1 2 373.413 2.382 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000290079207 552424261 /nfs/dbraw/zinc/42/42/61/552424261.db2.gz YVVFFKQKVAQWCB-HIFRSBDPSA-N 1 2 373.413 2.382 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000291664619 552648630 /nfs/dbraw/zinc/64/86/30/552648630.db2.gz FZINHOUHRZNXJS-ZDUSSCGKSA-N 1 2 359.386 2.076 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000291664619 552648631 /nfs/dbraw/zinc/64/86/31/552648631.db2.gz FZINHOUHRZNXJS-ZDUSSCGKSA-N 1 2 359.386 2.076 20 5 FEBDLO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293730279 552851043 /nfs/dbraw/zinc/85/10/43/552851043.db2.gz ZFQIZCMGBPHBFI-SNVBAGLBSA-N 1 2 366.361 2.480 20 5 FEBDLO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293730279 552851044 /nfs/dbraw/zinc/85/10/44/552851044.db2.gz ZFQIZCMGBPHBFI-SNVBAGLBSA-N 1 2 366.361 2.480 20 5 FEBDLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000294377213 552901518 /nfs/dbraw/zinc/90/15/18/552901518.db2.gz NQHXSXJIZCSLPE-UHFFFAOYSA-N 1 2 368.393 2.302 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000295202519 552969227 /nfs/dbraw/zinc/96/92/27/552969227.db2.gz FLODWSHEEZHIRY-CYBMUJFWSA-N 1 2 350.400 2.100 20 5 FEBDLO Cn1c(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000501948532 561608805 /nfs/dbraw/zinc/60/88/05/561608805.db2.gz PKVXFJPLSCFFEK-UHFFFAOYSA-N 1 2 355.354 2.461 20 5 FEBDLO CC(C)CN1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1=O ZINC000501980213 561609271 /nfs/dbraw/zinc/60/92/71/561609271.db2.gz VGAUKLIXFRRWDV-AWEZNQCLSA-N 1 2 362.430 2.112 20 5 FEBDLO CC(C)CN1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1=O ZINC000501980213 561609272 /nfs/dbraw/zinc/60/92/72/561609272.db2.gz VGAUKLIXFRRWDV-AWEZNQCLSA-N 1 2 362.430 2.112 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295491749 553015670 /nfs/dbraw/zinc/01/56/70/553015670.db2.gz GYGJDOYWVWMELP-CQSZACIVSA-N 1 2 364.402 2.004 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295491749 553015672 /nfs/dbraw/zinc/01/56/72/553015672.db2.gz GYGJDOYWVWMELP-CQSZACIVSA-N 1 2 364.402 2.004 20 5 FEBDLO CCc1nnc(C[NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])[nH]1 ZINC000296027917 553091831 /nfs/dbraw/zinc/09/18/31/553091831.db2.gz MZRFXLWAPGHMLV-UHFFFAOYSA-N 1 2 371.344 2.218 20 5 FEBDLO COc1cc(OCC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000296060411 553097993 /nfs/dbraw/zinc/09/79/93/553097993.db2.gz ZSXMTYLOPYFEQX-INIZCTEOSA-N 1 2 374.397 2.325 20 5 FEBDLO COC(=O)Cc1ccc(N2CC[NH+](Cc3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000296639792 553192003 /nfs/dbraw/zinc/19/20/03/553192003.db2.gz WKLSWWWOGNMICH-UHFFFAOYSA-N 1 2 359.382 2.226 20 5 FEBDLO COC(=O)c1cc(NC(=O)C2CC[NH+](CC(F)F)CC2)cc([N+](=O)[O-])c1 ZINC000297843102 553346175 /nfs/dbraw/zinc/34/61/75/553346175.db2.gz URGIEVYNDWAWOL-UHFFFAOYSA-N 1 2 371.340 2.297 20 5 FEBDLO CCCNC(=O)C[N@H+](CCC)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298078174 553381065 /nfs/dbraw/zinc/38/10/65/553381065.db2.gz JWSSQJZVEJDIEI-CYBMUJFWSA-N 1 2 350.419 2.160 20 5 FEBDLO CCCNC(=O)C[N@@H+](CCC)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298078174 553381066 /nfs/dbraw/zinc/38/10/66/553381066.db2.gz JWSSQJZVEJDIEI-CYBMUJFWSA-N 1 2 350.419 2.160 20 5 FEBDLO CCn1cc[nH+]c1CNC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000298419017 553423025 /nfs/dbraw/zinc/42/30/25/553423025.db2.gz LDEYPQQSGHEXOI-UHFFFAOYSA-N 1 2 360.418 2.421 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000301162460 553627264 /nfs/dbraw/zinc/62/72/64/553627264.db2.gz BVRKCEDMKZFNES-UHFFFAOYSA-N 1 2 360.458 2.474 20 5 FEBDLO Cc1cc(N2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301170598 553627940 /nfs/dbraw/zinc/62/79/40/553627940.db2.gz DZQDPAZIUHTCGD-HNNXBMFYSA-N 1 2 360.458 2.473 20 5 FEBDLO Cc1cc(N(C)CCN2CCCC2=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301221231 553632174 /nfs/dbraw/zinc/63/21/74/553632174.db2.gz BJGUORQPUGQNGD-UHFFFAOYSA-N 1 2 355.398 2.419 20 5 FEBDLO Cc1ccc(N2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000301431756 553651561 /nfs/dbraw/zinc/65/15/61/553651561.db2.gz GZXHIMSHENVFJK-HNNXBMFYSA-N 1 2 360.458 2.473 20 5 FEBDLO Cc1cc(N[C@@H](C)C(=O)N2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301842251 553684606 /nfs/dbraw/zinc/68/46/06/553684606.db2.gz ZTHCIBASOLSAOT-ZDUSSCGKSA-N 1 2 371.397 2.019 20 5 FEBDLO O=[N+]([O-])c1cnc2ccc(NC[C@@H](c3cccs3)[NH+]3CCOCC3)nn21 ZINC000301839460 553684840 /nfs/dbraw/zinc/68/48/40/553684840.db2.gz OFBLNBBLIPDLDM-LBPRGKRZSA-N 1 2 374.426 2.184 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2cn3ccccc3[nH+]2)s1 ZINC000301918043 553691892 /nfs/dbraw/zinc/69/18/92/553691892.db2.gz HXMYKFFJKLGPPU-UHFFFAOYSA-N 1 2 352.397 2.320 20 5 FEBDLO CC(C)Cn1cc[nH+]c1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000302677509 553724869 /nfs/dbraw/zinc/72/48/69/553724869.db2.gz VAUFQBMVTUWFOZ-UHFFFAOYSA-N 1 2 352.416 2.463 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000303041542 553743506 /nfs/dbraw/zinc/74/35/06/553743506.db2.gz PZKDQKZJGBIAGJ-UHFFFAOYSA-N 1 2 368.397 2.051 20 5 FEBDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505742611 561678990 /nfs/dbraw/zinc/67/89/90/561678990.db2.gz UUFRPEQUSRQBDZ-UHFFFAOYSA-N 1 2 352.350 2.475 20 5 FEBDLO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509121804 561785702 /nfs/dbraw/zinc/78/57/02/561785702.db2.gz BBYZMBGTOHMUBX-PWSUYJOCSA-N 1 2 358.341 2.416 20 5 FEBDLO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509121804 561785703 /nfs/dbraw/zinc/78/57/03/561785703.db2.gz BBYZMBGTOHMUBX-PWSUYJOCSA-N 1 2 358.341 2.416 20 5 FEBDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000331645900 554300833 /nfs/dbraw/zinc/30/08/33/554300833.db2.gz VKKDQFYWFWPEEL-QBIMZIAESA-N 1 2 363.414 2.192 20 5 FEBDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000331645900 554300838 /nfs/dbraw/zinc/30/08/38/554300838.db2.gz VKKDQFYWFWPEEL-QBIMZIAESA-N 1 2 363.414 2.192 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000332530836 554464535 /nfs/dbraw/zinc/46/45/35/554464535.db2.gz FYVGELYGXLTBDA-CQSZACIVSA-N 1 2 353.444 2.070 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000332530836 554464537 /nfs/dbraw/zinc/46/45/37/554464537.db2.gz FYVGELYGXLTBDA-CQSZACIVSA-N 1 2 353.444 2.070 20 5 FEBDLO CCNc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000511207382 561861252 /nfs/dbraw/zinc/86/12/52/561861252.db2.gz RBKWCVVLLWJALH-AWEZNQCLSA-N 1 2 355.398 2.430 20 5 FEBDLO O=C(CCNc1ccccc1[N+](=O)[O-])NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000363183442 555048062 /nfs/dbraw/zinc/04/80/62/555048062.db2.gz WRDYDLCWKMJTCO-UHFFFAOYSA-N 1 2 366.381 2.294 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN([C@@H](CC)C(=O)OC)CC1 ZINC000511872439 561883600 /nfs/dbraw/zinc/88/36/00/561883600.db2.gz IMWIBYPHMSZCPJ-INIZCTEOSA-N 1 2 365.430 2.063 20 5 FEBDLO O=[N+]([O-])c1c(NC[C@]2([NH+]3CCOCC3)CCCOC2)ccc2ncccc21 ZINC000363840671 555196761 /nfs/dbraw/zinc/19/67/61/555196761.db2.gz FUNLLHSPCBCMBG-LJQANCHMSA-N 1 2 372.425 2.436 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]Cc3nnc4n3CCOC4)o2)c1 ZINC000365163785 555499412 /nfs/dbraw/zinc/49/94/12/555499412.db2.gz PYUDDVGUSLUQHP-UHFFFAOYSA-N 1 2 355.354 2.266 20 5 FEBDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000366098580 555751047 /nfs/dbraw/zinc/75/10/47/555751047.db2.gz VSJXCDAFBKHFSR-QGZVFWFLSA-N 1 2 369.425 2.363 20 5 FEBDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000366098580 555751049 /nfs/dbraw/zinc/75/10/49/555751049.db2.gz VSJXCDAFBKHFSR-QGZVFWFLSA-N 1 2 369.425 2.363 20 5 FEBDLO CCC(=O)N1CC[C@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000513702960 561947112 /nfs/dbraw/zinc/94/71/12/561947112.db2.gz OXSOHFKDXZVBNH-YOEHRIQHSA-N 1 2 357.414 2.018 20 5 FEBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000366477509 555855554 /nfs/dbraw/zinc/85/55/54/555855554.db2.gz NUSRYVQOUOPZEL-SCLBCKFNSA-N 1 2 366.414 2.382 20 5 FEBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000366477509 555855556 /nfs/dbraw/zinc/85/55/56/555855556.db2.gz NUSRYVQOUOPZEL-SCLBCKFNSA-N 1 2 366.414 2.382 20 5 FEBDLO CC[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@]2(CCOC2)O1 ZINC000366585563 555883734 /nfs/dbraw/zinc/88/37/34/555883734.db2.gz GVWAIELBXGJQPO-CRAIPNDOSA-N 1 2 374.397 2.415 20 5 FEBDLO CC[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@]2(CCOC2)O1 ZINC000366585563 555883737 /nfs/dbraw/zinc/88/37/37/555883737.db2.gz GVWAIELBXGJQPO-CRAIPNDOSA-N 1 2 374.397 2.415 20 5 FEBDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000366766648 555928737 /nfs/dbraw/zinc/92/87/37/555928737.db2.gz RPLSRPVQZMDTOY-KRWDZBQOSA-N 1 2 361.423 2.201 20 5 FEBDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000366766648 555928741 /nfs/dbraw/zinc/92/87/41/555928741.db2.gz RPLSRPVQZMDTOY-KRWDZBQOSA-N 1 2 361.423 2.201 20 5 FEBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000367443374 556050695 /nfs/dbraw/zinc/05/06/95/556050695.db2.gz QGZQMMTWQICJJJ-KRWDZBQOSA-N 1 2 365.455 2.417 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000368069078 556210209 /nfs/dbraw/zinc/21/02/09/556210209.db2.gz DMMLBTAJPVZUCL-UONOGXRCSA-N 1 2 373.413 2.382 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000368069078 556210210 /nfs/dbraw/zinc/21/02/10/556210210.db2.gz DMMLBTAJPVZUCL-UONOGXRCSA-N 1 2 373.413 2.382 20 5 FEBDLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368116956 556223538 /nfs/dbraw/zinc/22/35/38/556223538.db2.gz ZJFAKALKQDMZHK-CYBMUJFWSA-N 1 2 355.358 2.308 20 5 FEBDLO COCC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000515918886 562025531 /nfs/dbraw/zinc/02/55/31/562025531.db2.gz ZBIKDLMJZNKFLX-HNNXBMFYSA-N 1 2 370.471 2.354 20 5 FEBDLO COCC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000515918886 562025532 /nfs/dbraw/zinc/02/55/32/562025532.db2.gz ZBIKDLMJZNKFLX-HNNXBMFYSA-N 1 2 370.471 2.354 20 5 FEBDLO C[NH+]1CCN(C[C@H]2CCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000369311654 556571899 /nfs/dbraw/zinc/57/18/99/556571899.db2.gz XWXJUKUCXSZVNM-AHKGRUIUSA-N 1 2 372.469 2.094 20 5 FEBDLO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cn2)CC1 ZINC000370374751 556854075 /nfs/dbraw/zinc/85/40/75/556854075.db2.gz ORVFXBAMZQKFQF-UHFFFAOYSA-N 1 2 372.381 2.421 20 5 FEBDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000370865747 556995868 /nfs/dbraw/zinc/99/58/68/556995868.db2.gz YPZYDCJBZREHQJ-CYBMUJFWSA-N 1 2 361.851 2.150 20 5 FEBDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000370865747 556995870 /nfs/dbraw/zinc/99/58/70/556995870.db2.gz YPZYDCJBZREHQJ-CYBMUJFWSA-N 1 2 361.851 2.150 20 5 FEBDLO Cn1cc[nH+]c1-c1cccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000371385897 557169432 /nfs/dbraw/zinc/16/94/32/557169432.db2.gz ZIRKZQHOJMPSMG-UHFFFAOYSA-N 1 2 372.406 2.474 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000371815128 557301056 /nfs/dbraw/zinc/30/10/56/557301056.db2.gz QLWCDOVYIUENCP-QGZVFWFLSA-N 1 2 355.394 2.494 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000371815128 557301059 /nfs/dbraw/zinc/30/10/59/557301059.db2.gz QLWCDOVYIUENCP-QGZVFWFLSA-N 1 2 355.394 2.494 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000371896364 557323511 /nfs/dbraw/zinc/32/35/11/557323511.db2.gz SSNUDIVVOVCEKO-GFCCVEGCSA-N 1 2 350.400 2.195 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)CCC2 ZINC000372243165 557420063 /nfs/dbraw/zinc/42/00/63/557420063.db2.gz QDGBKJCAPBGOSC-LBPRGKRZSA-N 1 2 362.361 2.311 20 5 FEBDLO O=C1NC[C@]2(CCC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)O1 ZINC000372611430 557520500 /nfs/dbraw/zinc/52/05/00/557520500.db2.gz HNBQLHOYENMJAQ-KRWDZBQOSA-N 1 2 358.354 2.324 20 5 FEBDLO O=C1NC[C@]2(CCC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)O1 ZINC000372611430 557520504 /nfs/dbraw/zinc/52/05/04/557520504.db2.gz HNBQLHOYENMJAQ-KRWDZBQOSA-N 1 2 358.354 2.324 20 5 FEBDLO O=C(N[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1)C1CCC1 ZINC000373099818 557628337 /nfs/dbraw/zinc/62/83/37/557628337.db2.gz PECDGNITSFORMP-CQSZACIVSA-N 1 2 371.397 2.135 20 5 FEBDLO O=C(N[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1)C1CCC1 ZINC000373099818 557628338 /nfs/dbraw/zinc/62/83/38/557628338.db2.gz PECDGNITSFORMP-CQSZACIVSA-N 1 2 371.397 2.135 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCCOC(C)(C)C1 ZINC000374244077 557849690 /nfs/dbraw/zinc/84/96/90/557849690.db2.gz UFROACJWHGGRKQ-LBPRGKRZSA-N 1 2 351.403 2.431 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCCOC(C)(C)C1 ZINC000374244077 557849691 /nfs/dbraw/zinc/84/96/91/557849691.db2.gz UFROACJWHGGRKQ-LBPRGKRZSA-N 1 2 351.403 2.431 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@](F)(c3ccccc3Cl)C2)c1 ZINC000374525126 557895141 /nfs/dbraw/zinc/89/51/41/557895141.db2.gz XZKFGBMCGLRGLH-XJKSGUPXSA-N 1 2 368.796 2.376 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@](F)(c3ccccc3Cl)C2)c1 ZINC000374525126 557895143 /nfs/dbraw/zinc/89/51/43/557895143.db2.gz XZKFGBMCGLRGLH-XJKSGUPXSA-N 1 2 368.796 2.376 20 5 FEBDLO CCOC(=O)c1cc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000375660184 558063641 /nfs/dbraw/zinc/06/36/41/558063641.db2.gz ZWTWWZMQQFTEAA-MRXNPFEDSA-N 1 2 374.397 2.445 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000376217068 558143068 /nfs/dbraw/zinc/14/30/68/558143068.db2.gz WKFVTRIDIRGSDQ-OAHLLOKOSA-N 1 2 373.413 2.293 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000376217068 558143070 /nfs/dbraw/zinc/14/30/70/558143070.db2.gz WKFVTRIDIRGSDQ-OAHLLOKOSA-N 1 2 373.413 2.293 20 5 FEBDLO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000376604076 558196568 /nfs/dbraw/zinc/19/65/68/558196568.db2.gz KYRCZFCIFCOKJA-HOTGVXAUSA-N 1 2 351.378 2.107 20 5 FEBDLO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000376604078 558196640 /nfs/dbraw/zinc/19/66/40/558196640.db2.gz KYRCZFCIFCOKJA-JKSUJKDBSA-N 1 2 351.378 2.107 20 5 FEBDLO O=C(NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000376626315 558199815 /nfs/dbraw/zinc/19/98/15/558199815.db2.gz JRHOBNJVOMHWET-HNNXBMFYSA-N 1 2 370.409 2.337 20 5 FEBDLO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000376626315 558199816 /nfs/dbraw/zinc/19/98/16/558199816.db2.gz JRHOBNJVOMHWET-HNNXBMFYSA-N 1 2 370.409 2.337 20 5 FEBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3ncc([N+](=O)[O-])cc3C)CC2)no1 ZINC000376686350 558208540 /nfs/dbraw/zinc/20/85/40/558208540.db2.gz DHXLIYUDWXUMDF-AWEZNQCLSA-N 1 2 360.418 2.481 20 5 FEBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3ncc([N+](=O)[O-])cc3C)CC2)no1 ZINC000376686350 558208541 /nfs/dbraw/zinc/20/85/41/558208541.db2.gz DHXLIYUDWXUMDF-AWEZNQCLSA-N 1 2 360.418 2.481 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000377662759 558390039 /nfs/dbraw/zinc/39/00/39/558390039.db2.gz RWGKFFQWSOTFQF-WMLDXEAASA-N 1 2 374.441 2.399 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000377662759 558390041 /nfs/dbraw/zinc/39/00/41/558390041.db2.gz RWGKFFQWSOTFQF-WMLDXEAASA-N 1 2 374.441 2.399 20 5 FEBDLO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408182438 558654560 /nfs/dbraw/zinc/65/45/60/558654560.db2.gz KQMXWQDLLAVRAB-YPMHNXCESA-N 1 2 373.862 2.496 20 5 FEBDLO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408182438 558654562 /nfs/dbraw/zinc/65/45/62/558654562.db2.gz KQMXWQDLLAVRAB-YPMHNXCESA-N 1 2 373.862 2.496 20 5 FEBDLO COC(=O)C1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCCC1 ZINC000411409917 558889847 /nfs/dbraw/zinc/88/98/47/558889847.db2.gz UVBQXNBKEAMIIT-UHFFFAOYSA-N 1 2 365.386 2.007 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H]2CCCn3cc[nH+]c32)c1F ZINC000412202716 559019552 /nfs/dbraw/zinc/01/95/52/559019552.db2.gz LDXGXJBRJXNXDP-NSHDSACASA-N 1 2 362.361 2.175 20 5 FEBDLO C[C@H](O)[C@H]1CCN(c2cc(N(C)Cc3ccccc3[N+](=O)[O-])nc[nH+]2)C1 ZINC000413052344 559073011 /nfs/dbraw/zinc/07/30/11/559073011.db2.gz MCRMXGGFAFRANS-KBPBESRZSA-N 1 2 357.414 2.228 20 5 FEBDLO C[C@H](O)[C@H]1CCN(c2cc(N(C)Cc3ccccc3[N+](=O)[O-])[nH+]cn2)C1 ZINC000413052344 559073012 /nfs/dbraw/zinc/07/30/12/559073012.db2.gz MCRMXGGFAFRANS-KBPBESRZSA-N 1 2 357.414 2.228 20 5 FEBDLO CC(=O)c1cc(NCC2([NH+]3CCOCC3)CCOCC2)ccc1[N+](=O)[O-] ZINC000413402306 559105213 /nfs/dbraw/zinc/10/52/13/559105213.db2.gz JSWPULGFELXWLS-UHFFFAOYSA-N 1 2 363.414 2.091 20 5 FEBDLO Cc1cc(S(=O)(=O)NC[C@@H](C)Cn2cc[nH+]c2)c(C)cc1[N+](=O)[O-] ZINC000414462950 559165887 /nfs/dbraw/zinc/16/58/87/559165887.db2.gz VBYNCZIQTYUBRQ-LLVKDONJSA-N 1 2 352.416 2.023 20 5 FEBDLO Cc1cc(S(=O)(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c(C)cc1[N+](=O)[O-] ZINC000416495218 559317546 /nfs/dbraw/zinc/31/75/46/559317546.db2.gz MCYIMKQSUIYQTA-VXGBXAGGSA-N 1 2 350.400 2.392 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000417074640 559346718 /nfs/dbraw/zinc/34/67/18/559346718.db2.gz KYDQYYXBWYGLIL-UHFFFAOYSA-N 1 2 366.418 2.226 20 5 FEBDLO COC(=O)CNC(=O)c1ccc(NCc2cc(C)[nH+]c(C)c2)c([N+](=O)[O-])c1 ZINC000420647025 559495056 /nfs/dbraw/zinc/49/50/56/559495056.db2.gz BPIWGQQQTUYBDO-UHFFFAOYSA-N 1 2 372.381 2.122 20 5 FEBDLO COC1([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCOCC1 ZINC000421727275 559551033 /nfs/dbraw/zinc/55/10/33/559551033.db2.gz VZWDIWXMYNUVOT-CYBMUJFWSA-N 1 2 374.397 2.094 20 5 FEBDLO Cc1cc(CNC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000421912055 559556232 /nfs/dbraw/zinc/55/62/32/559556232.db2.gz DBQUWDGOHCQHPA-CYBMUJFWSA-N 1 2 356.382 2.041 20 5 FEBDLO Cc1cc(NCCCCS(C)(=O)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000425261983 559693923 /nfs/dbraw/zinc/69/39/23/559693923.db2.gz FTZNWENSDLFXSC-UHFFFAOYSA-N 1 2 364.427 2.019 20 5 FEBDLO NC(=O)CC1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425399421 559700172 /nfs/dbraw/zinc/70/01/72/559700172.db2.gz BFLPVHNMDKZMSU-UHFFFAOYSA-N 1 2 356.220 2.445 20 5 FEBDLO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1SC ZINC000427995756 559767182 /nfs/dbraw/zinc/76/71/82/559767182.db2.gz WXXQNVIYBAPWSQ-SNVBAGLBSA-N 1 2 362.411 2.267 20 5 FEBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428367207 559773973 /nfs/dbraw/zinc/77/39/73/559773973.db2.gz PBEDNHHYLOWWAO-ZYHUDNBSSA-N 1 2 364.789 2.343 20 5 FEBDLO COc1cc[nH+]cc1CNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000431565990 559841476 /nfs/dbraw/zinc/84/14/76/559841476.db2.gz RMIATQWLRRMBNZ-UHFFFAOYSA-N 1 2 351.384 2.094 20 5 FEBDLO Cc1cc(NCC2([NH+]3CCOCC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000433794463 559887931 /nfs/dbraw/zinc/88/79/31/559887931.db2.gz SSWNAKBXOSHPRE-UHFFFAOYSA-N 1 2 369.425 2.059 20 5 FEBDLO COc1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc([N+](=O)[O-])c1OC ZINC000433967613 559891672 /nfs/dbraw/zinc/89/16/72/559891672.db2.gz DXFIWICURDGDEC-CQSZACIVSA-N 1 2 373.365 2.301 20 5 FEBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437211265 559961917 /nfs/dbraw/zinc/96/19/17/559961917.db2.gz BYRDBVXMBHALKU-SNVBAGLBSA-N 1 2 361.320 2.064 20 5 FEBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437211265 559961918 /nfs/dbraw/zinc/96/19/18/559961918.db2.gz BYRDBVXMBHALKU-SNVBAGLBSA-N 1 2 361.320 2.064 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000439871486 560001175 /nfs/dbraw/zinc/00/11/75/560001175.db2.gz PDAVXFKAJIZYIX-OLZOCXBDSA-N 1 2 366.418 2.224 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)CCC2 ZINC000443761114 560092132 /nfs/dbraw/zinc/09/21/32/560092132.db2.gz SGKJSIGSVPFVQC-JTQLQIEISA-N 1 2 356.429 2.017 20 5 FEBDLO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444670901 560118072 /nfs/dbraw/zinc/11/80/72/560118072.db2.gz BLSUWIWTIBSWRS-OLZOCXBDSA-N 1 2 362.386 2.014 20 5 FEBDLO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444670901 560118073 /nfs/dbraw/zinc/11/80/73/560118073.db2.gz BLSUWIWTIBSWRS-OLZOCXBDSA-N 1 2 362.386 2.014 20 5 FEBDLO CCOC(=O)[C@@H](C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447803652 560169395 /nfs/dbraw/zinc/16/93/95/560169395.db2.gz UFLXUCAMRFGYTR-ZDUSSCGKSA-N 1 2 351.403 2.038 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H]2COCC[C@H]21 ZINC000450142139 560251958 /nfs/dbraw/zinc/25/19/58/560251958.db2.gz BCCQYLOUKQUSGH-LSDHHAIUSA-N 1 2 356.382 2.422 20 5 FEBDLO O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450224289 560254414 /nfs/dbraw/zinc/25/44/14/560254414.db2.gz UHKYYXNFKYSJHG-KBRIMQKVSA-N 1 2 368.393 2.468 20 5 FEBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450248816 560255555 /nfs/dbraw/zinc/25/55/55/560255555.db2.gz YOUSIQGXVIVIIR-AWEZNQCLSA-N 1 2 371.441 2.180 20 5 FEBDLO C[C@@H]1C[N@H+](CCO)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000450959220 560280102 /nfs/dbraw/zinc/28/01/02/560280102.db2.gz XWQQMLQVMPWPAA-OAHLLOKOSA-N 1 2 369.421 2.329 20 5 FEBDLO C[C@@H]1C[N@@H+](CCO)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000450959220 560280103 /nfs/dbraw/zinc/28/01/03/560280103.db2.gz XWQQMLQVMPWPAA-OAHLLOKOSA-N 1 2 369.421 2.329 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)Nc1nc(C2CC2)no1 ZINC000451553159 560314495 /nfs/dbraw/zinc/31/44/95/560314495.db2.gz XRDUMQZWXPGTIB-CQSZACIVSA-N 1 2 371.397 2.095 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)Nc1nc(C2CC2)no1 ZINC000451553159 560314496 /nfs/dbraw/zinc/31/44/96/560314496.db2.gz XRDUMQZWXPGTIB-CQSZACIVSA-N 1 2 371.397 2.095 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCSC[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000451645396 560319100 /nfs/dbraw/zinc/31/91/00/560319100.db2.gz AFSBACVRAKGOCU-OAHLLOKOSA-N 1 2 351.428 2.369 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCSC[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000451645396 560319101 /nfs/dbraw/zinc/31/91/01/560319101.db2.gz AFSBACVRAKGOCU-OAHLLOKOSA-N 1 2 351.428 2.369 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451891825 560335231 /nfs/dbraw/zinc/33/52/31/560335231.db2.gz OSSLLHONPPFDOS-NRUUGDAUSA-N 1 2 361.320 2.167 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451891825 560335232 /nfs/dbraw/zinc/33/52/32/560335232.db2.gz OSSLLHONPPFDOS-NRUUGDAUSA-N 1 2 361.320 2.167 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000451933529 560338786 /nfs/dbraw/zinc/33/87/86/560338786.db2.gz CBNVNASHFUEHDH-WCQYABFASA-N 1 2 350.400 2.392 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cc1C ZINC000451945210 560339897 /nfs/dbraw/zinc/33/98/97/560339897.db2.gz HXNCWXUHDLCGIK-RYUDHWBXSA-N 1 2 350.400 2.392 20 5 FEBDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000451976160 560341661 /nfs/dbraw/zinc/34/16/61/560341661.db2.gz XPPCCZNDPYXDKN-AWEZNQCLSA-N 1 2 355.460 2.316 20 5 FEBDLO C[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000452182084 560354961 /nfs/dbraw/zinc/35/49/61/560354961.db2.gz GLLLPMAUUMRMNK-AWEZNQCLSA-N 1 2 370.409 2.313 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000453986188 560419627 /nfs/dbraw/zinc/41/96/27/560419627.db2.gz VTVPJXJGXYVCAW-PWSUYJOCSA-N 1 2 357.370 2.169 20 5 FEBDLO CCN1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000455102497 560470221 /nfs/dbraw/zinc/47/02/21/560470221.db2.gz IVPCGBIAWDQXCH-BBRMVZONSA-N 1 2 372.429 2.467 20 5 FEBDLO CC1(C)C[C@H](O)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000456547467 560524076 /nfs/dbraw/zinc/52/40/76/560524076.db2.gz YORYPIGBEPZYTH-CQSZACIVSA-N 1 2 358.398 2.404 20 5 FEBDLO CCN1CC[NH+](CC(C)(C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000456894816 560536067 /nfs/dbraw/zinc/53/60/67/560536067.db2.gz IGTSRGNBLYJOOK-UHFFFAOYSA-N 1 2 368.865 2.394 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000457962452 560596708 /nfs/dbraw/zinc/59/67/08/560596708.db2.gz QEYBEBFWNOEGDZ-RHSMWYFYSA-N 1 2 368.393 2.422 20 5 FEBDLO CCOC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000459721934 560704596 /nfs/dbraw/zinc/70/45/96/560704596.db2.gz UFZNDURPVQELQC-AWEZNQCLSA-N 1 2 351.403 2.433 20 5 FEBDLO CCOC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000459721934 560704597 /nfs/dbraw/zinc/70/45/97/560704597.db2.gz UFZNDURPVQELQC-AWEZNQCLSA-N 1 2 351.403 2.433 20 5 FEBDLO O=C(C1CC[NH+](CC(F)F)CC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461394660 560769611 /nfs/dbraw/zinc/76/96/11/560769611.db2.gz NDDSFSBHZYHXOQ-UHFFFAOYSA-N 1 2 369.368 2.293 20 5 FEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000470173617 560975977 /nfs/dbraw/zinc/97/59/77/560975977.db2.gz DPTXIEZZEGYNBL-NZHZHZHDSA-N 1 2 359.426 2.321 20 5 FEBDLO CCN1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000474232685 561068894 /nfs/dbraw/zinc/06/88/94/561068894.db2.gz PUJGTAQISGOHOY-XJKSGUPXSA-N 1 2 372.429 2.467 20 5 FEBDLO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000475293004 561094333 /nfs/dbraw/zinc/09/43/33/561094333.db2.gz IZZROIMELWSUDB-SJKOYZFVSA-N 1 2 364.398 2.146 20 5 FEBDLO COC(=O)COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000475293004 561094334 /nfs/dbraw/zinc/09/43/34/561094334.db2.gz IZZROIMELWSUDB-SJKOYZFVSA-N 1 2 364.398 2.146 20 5 FEBDLO COC(=O)COc1ccc(C[N@@H+]2CCOC[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000475724594 561103576 /nfs/dbraw/zinc/10/35/76/561103576.db2.gz KXFWTENRJOZZRS-HNNXBMFYSA-N 1 2 366.414 2.394 20 5 FEBDLO COC(=O)COc1ccc(C[N@H+]2CCOC[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000475724594 561103577 /nfs/dbraw/zinc/10/35/77/561103577.db2.gz KXFWTENRJOZZRS-HNNXBMFYSA-N 1 2 366.414 2.394 20 5 FEBDLO Cc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C)[nH+]1 ZINC000531523171 562448563 /nfs/dbraw/zinc/44/85/63/562448563.db2.gz XTEWOMBVXDMPOK-UHFFFAOYSA-N 1 2 356.386 2.356 20 5 FEBDLO Cc1[nH]c2ccc(NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)cc2[nH+]1 ZINC000531686733 562454168 /nfs/dbraw/zinc/45/41/68/562454168.db2.gz DTXAIZDINPGNJX-UHFFFAOYSA-N 1 2 374.378 2.435 20 5 FEBDLO Cc1[nH]c2cc(NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)ccc2[nH+]1 ZINC000531686733 562454169 /nfs/dbraw/zinc/45/41/69/562454169.db2.gz DTXAIZDINPGNJX-UHFFFAOYSA-N 1 2 374.378 2.435 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000534111671 562525733 /nfs/dbraw/zinc/52/57/33/562525733.db2.gz XDXVYYPXGWTYQW-QWHCGFSZSA-N 1 2 351.403 2.025 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000534111671 562525734 /nfs/dbraw/zinc/52/57/34/562525734.db2.gz XDXVYYPXGWTYQW-QWHCGFSZSA-N 1 2 351.403 2.025 20 5 FEBDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000560603715 674603049 /nfs/dbraw/zinc/60/30/49/674603049.db2.gz YHOZJRAYEBHKOX-RISCZKNCSA-N 1 2 367.768 2.286 20 5 FEBDLO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000560603715 674603052 /nfs/dbraw/zinc/60/30/52/674603052.db2.gz YHOZJRAYEBHKOX-RISCZKNCSA-N 1 2 367.768 2.286 20 5 FEBDLO CC(C)(CCC(=O)OCc1cccc(C[NH+]2CCOCC2)c1)[N+](=O)[O-] ZINC000817189359 675110524 /nfs/dbraw/zinc/11/05/24/675110524.db2.gz WKEDBVXAQOIRPN-UHFFFAOYSA-N 1 2 350.415 2.398 20 5 FEBDLO Cn1ccnc1[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000565780627 675151068 /nfs/dbraw/zinc/15/10/68/675151068.db2.gz DMMVSNDNVLDEKG-MQNRADLISA-N 1 2 362.455 2.309 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000572757295 671041194 /nfs/dbraw/zinc/04/11/94/671041194.db2.gz IIOHXDIDLXBHJE-OAHLLOKOSA-N 1 2 361.423 2.253 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000572757295 671041199 /nfs/dbraw/zinc/04/11/99/671041199.db2.gz IIOHXDIDLXBHJE-OAHLLOKOSA-N 1 2 361.423 2.253 20 5 FEBDLO CCC[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000170904314 672326987 /nfs/dbraw/zinc/32/69/87/672326987.db2.gz XLVNNHPBUDVESB-ZDUSSCGKSA-N 1 2 353.423 2.470 20 5 FEBDLO CCC[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000170904314 672326989 /nfs/dbraw/zinc/32/69/89/672326989.db2.gz XLVNNHPBUDVESB-ZDUSSCGKSA-N 1 2 353.423 2.470 20 5 FEBDLO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000181043775 672421136 /nfs/dbraw/zinc/42/11/36/672421136.db2.gz UPXOWPLKUGCCLW-LLVKDONJSA-N 1 2 367.402 2.493 20 5 FEBDLO COc1cc(CN2CCn3c[nH+]cc3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000589520717 672530296 /nfs/dbraw/zinc/53/02/96/672530296.db2.gz VHRCKYPHZCCZLU-UHFFFAOYSA-N 1 2 354.313 2.417 20 5 FEBDLO CNS(=O)(=O)c1ccc(NCCc2[nH+]cc(C)cc2C)c([N+](=O)[O-])c1 ZINC000594596302 673104445 /nfs/dbraw/zinc/10/44/45/673104445.db2.gz RUYJJVMBXMKXIN-UHFFFAOYSA-N 1 2 364.427 2.169 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000596167703 673364782 /nfs/dbraw/zinc/36/47/82/673364782.db2.gz KHOAYAPCXOCKAZ-BFHYXJOUSA-N 1 2 350.419 2.064 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000596167703 673364785 /nfs/dbraw/zinc/36/47/85/673364785.db2.gz KHOAYAPCXOCKAZ-BFHYXJOUSA-N 1 2 350.419 2.064 20 5 FEBDLO C[C@@H](NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[C@H](C)[NH+]1CCOCC1 ZINC000597095012 673447044 /nfs/dbraw/zinc/44/70/44/673447044.db2.gz NFRYWBISWNIJEV-ZJUUUORDSA-N 1 2 371.825 2.061 20 5 FEBDLO NS(=O)(=O)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000735493346 673494733 /nfs/dbraw/zinc/49/47/33/673494733.db2.gz WWDGEGRXZIVYRP-UHFFFAOYSA-N 1 2 361.832 2.247 20 5 FEBDLO O=[N+]([O-])c1nn(CN2CCC[C@H](n3cc[nH+]c3)C2)cc1Br ZINC000738147241 673604294 /nfs/dbraw/zinc/60/42/94/673604294.db2.gz BZESKPYMZFYJRD-JTQLQIEISA-N 1 2 355.196 2.045 20 5 FEBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ccc([N+](=O)[O-])cc1Br ZINC000598948427 673624450 /nfs/dbraw/zinc/62/44/50/673624450.db2.gz PMRUBUARZHXHLZ-VIFPVBQESA-N 1 2 365.187 2.299 20 5 FEBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccc([N+](=O)[O-])cc1Br ZINC000598948425 673624458 /nfs/dbraw/zinc/62/44/58/673624458.db2.gz PMRUBUARZHXHLZ-SECBINFHSA-N 1 2 365.187 2.299 20 5 FEBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000598950026 673624725 /nfs/dbraw/zinc/62/47/25/673624725.db2.gz ZTQHHAWQZAKXMP-JTQLQIEISA-N 1 2 352.297 2.138 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000599552719 673690686 /nfs/dbraw/zinc/69/06/86/673690686.db2.gz IFFOCZVSPBMMII-KGLIPLIRSA-N 1 2 356.469 2.338 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000599552719 673690690 /nfs/dbraw/zinc/69/06/90/673690690.db2.gz IFFOCZVSPBMMII-KGLIPLIRSA-N 1 2 356.469 2.338 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000544146742 673694246 /nfs/dbraw/zinc/69/42/46/673694246.db2.gz UEWJMWZRDPCTKD-KRWDZBQOSA-N 1 2 368.455 2.261 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000544146742 673694248 /nfs/dbraw/zinc/69/42/48/673694248.db2.gz UEWJMWZRDPCTKD-KRWDZBQOSA-N 1 2 368.455 2.261 20 5 FEBDLO C[N@H+](CC(F)F)C1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000742239417 673715632 /nfs/dbraw/zinc/71/56/32/673715632.db2.gz UCZDMDQFPUYHQB-UHFFFAOYSA-N 1 2 357.357 2.162 20 5 FEBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000742239417 673715635 /nfs/dbraw/zinc/71/56/35/673715635.db2.gz UCZDMDQFPUYHQB-UHFFFAOYSA-N 1 2 357.357 2.162 20 5 FEBDLO C[C@@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000601187143 673831512 /nfs/dbraw/zinc/83/15/12/673831512.db2.gz OZEQDHYHPOLGHL-LPEHRKFASA-N 1 2 365.356 2.257 20 5 FEBDLO C[C@@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000601187143 673831515 /nfs/dbraw/zinc/83/15/15/673831515.db2.gz OZEQDHYHPOLGHL-LPEHRKFASA-N 1 2 365.356 2.257 20 5 FEBDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H](C)CO1 ZINC000823252689 675539477 /nfs/dbraw/zinc/53/94/77/675539477.db2.gz DYUSKTZGXITKIL-WDEREUQCSA-N 1 2 356.810 2.479 20 5 FEBDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H](C)CO1 ZINC000823252689 675539480 /nfs/dbraw/zinc/53/94/80/675539480.db2.gz DYUSKTZGXITKIL-WDEREUQCSA-N 1 2 356.810 2.479 20 5 FEBDLO COC[C@]1(CO)CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000825158730 675639272 /nfs/dbraw/zinc/63/92/72/675639272.db2.gz XQTCOZDHFPRMSQ-CQSZACIVSA-N 1 2 359.220 2.188 20 5 FEBDLO COC[C@]1(CO)CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000825158730 675639274 /nfs/dbraw/zinc/63/92/74/675639274.db2.gz XQTCOZDHFPRMSQ-CQSZACIVSA-N 1 2 359.220 2.188 20 5 FEBDLO CNC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839666131 680770216 /nfs/dbraw/zinc/77/02/16/680770216.db2.gz MBFCXYAGERNISM-UHFFFAOYSA-N 1 2 371.235 2.251 20 5 FEBDLO CCCc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001001399891 680460471 /nfs/dbraw/zinc/46/04/71/680460471.db2.gz OBUKHGWSKAUOMW-HUUCEWRRSA-N 1 2 366.487 2.089 20 5 FEBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC([N@H+](C)CC(F)F)CC1 ZINC000771156309 681044119 /nfs/dbraw/zinc/04/41/19/681044119.db2.gz WGTQCISYNXZFIL-UHFFFAOYSA-N 1 2 356.373 2.120 20 5 FEBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000771156309 681044123 /nfs/dbraw/zinc/04/41/23/681044123.db2.gz WGTQCISYNXZFIL-UHFFFAOYSA-N 1 2 356.373 2.120 20 5 FEBDLO O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCCn1cc[nH+]c1 ZINC000771849134 681072301 /nfs/dbraw/zinc/07/23/01/681072301.db2.gz XBIHOWSVNDZOND-UHFFFAOYSA-N 1 2 358.276 2.465 20 5 FEBDLO C[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847180725 681340863 /nfs/dbraw/zinc/34/08/63/681340863.db2.gz UEVYLDIHOHCOCZ-SDDRHHMPSA-N 1 2 355.822 2.476 20 5 FEBDLO C[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847180725 681340867 /nfs/dbraw/zinc/34/08/67/681340867.db2.gz UEVYLDIHOHCOCZ-SDDRHHMPSA-N 1 2 355.822 2.476 20 5 FEBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848292690 681508922 /nfs/dbraw/zinc/50/89/22/681508922.db2.gz OZFDLNIKWBELQY-UTUOFQBUSA-N 1 2 353.394 2.270 20 5 FEBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848292690 681508927 /nfs/dbraw/zinc/50/89/27/681508927.db2.gz OZFDLNIKWBELQY-UTUOFQBUSA-N 1 2 353.394 2.270 20 5 FEBDLO Cc1noc(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)c1[N+](=O)[O-] ZINC000851920515 682185425 /nfs/dbraw/zinc/18/54/25/682185425.db2.gz ASDFLWGEQYKHIN-VIFPVBQESA-N 1 2 354.388 2.114 20 5 FEBDLO Cc1cc(Cl)c(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000855405891 682666316 /nfs/dbraw/zinc/66/63/16/682666316.db2.gz AKKKIEDUCTUCGO-NWDGAFQWSA-N 1 2 355.822 2.396 20 5 FEBDLO Cc1cc(Cl)c(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000855405891 682666319 /nfs/dbraw/zinc/66/63/19/682666319.db2.gz AKKKIEDUCTUCGO-NWDGAFQWSA-N 1 2 355.822 2.396 20 5 FEBDLO CC1(C)C[N@H+](CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCO1 ZINC000790615108 682688321 /nfs/dbraw/zinc/68/83/21/682688321.db2.gz PUDJFYYBGALFNI-UHFFFAOYSA-N 1 2 373.812 2.157 20 5 FEBDLO CC1(C)C[N@@H+](CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCO1 ZINC000790615108 682688322 /nfs/dbraw/zinc/68/83/22/682688322.db2.gz PUDJFYYBGALFNI-UHFFFAOYSA-N 1 2 373.812 2.157 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[N@H+]2CC=CCC2)c1 ZINC000795278095 683034539 /nfs/dbraw/zinc/03/45/39/683034539.db2.gz JLGLLXIAYUICAB-UHFFFAOYSA-N 1 2 359.835 2.097 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[N@@H+]2CC=CCC2)c1 ZINC000795278095 683034541 /nfs/dbraw/zinc/03/45/41/683034541.db2.gz JLGLLXIAYUICAB-UHFFFAOYSA-N 1 2 359.835 2.097 20 5 FEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)[C@@H](C)C1 ZINC000796070710 683124750 /nfs/dbraw/zinc/12/47/50/683124750.db2.gz FDYPXTMWFGNDLJ-NSHDSACASA-N 1 2 361.851 2.271 20 5 FEBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)[C@@H](C)C1 ZINC000796070710 683124752 /nfs/dbraw/zinc/12/47/52/683124752.db2.gz FDYPXTMWFGNDLJ-NSHDSACASA-N 1 2 361.851 2.271 20 5 FEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](CCO)Cc2cccnc2Cl)c1 ZINC000796562448 683171656 /nfs/dbraw/zinc/17/16/56/683171656.db2.gz VTZAULJWXCOCMG-OAHLLOKOSA-N 1 2 351.790 2.171 20 5 FEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](CCO)Cc2cccnc2Cl)c1 ZINC000796562448 683171658 /nfs/dbraw/zinc/17/16/58/683171658.db2.gz VTZAULJWXCOCMG-OAHLLOKOSA-N 1 2 351.790 2.171 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861669785 683452935 /nfs/dbraw/zinc/45/29/35/683452935.db2.gz CSKNFICRJQGKAA-RYUDHWBXSA-N 1 2 353.806 2.183 20 5 FEBDLO COC(=O)[C@]1(OC)CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000862473552 683594090 /nfs/dbraw/zinc/59/40/90/683594090.db2.gz AHPHAOVAGSLKSK-AWEZNQCLSA-N 1 2 373.203 2.121 20 5 FEBDLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000862473552 683594096 /nfs/dbraw/zinc/59/40/96/683594096.db2.gz AHPHAOVAGSLKSK-AWEZNQCLSA-N 1 2 373.203 2.121 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000929648005 683622778 /nfs/dbraw/zinc/62/27/78/683622778.db2.gz YOAKCQYNALJBRQ-HNNXBMFYSA-N 1 2 367.471 2.403 20 5 FEBDLO COC(=O)[C@]1(OC)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000931172407 683845509 /nfs/dbraw/zinc/84/55/09/683845509.db2.gz BNMUODOJEGBRJC-AWEZNQCLSA-N 1 2 373.203 2.121 20 5 FEBDLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000931172407 683845514 /nfs/dbraw/zinc/84/55/14/683845514.db2.gz BNMUODOJEGBRJC-AWEZNQCLSA-N 1 2 373.203 2.121 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000931627293 684315329 /nfs/dbraw/zinc/31/53/29/684315329.db2.gz ZIMAHTFMYHDBDH-LLVKDONJSA-N 1 2 356.810 2.399 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000931627293 684315332 /nfs/dbraw/zinc/31/53/32/684315332.db2.gz ZIMAHTFMYHDBDH-LLVKDONJSA-N 1 2 356.810 2.399 20 5 FEBDLO CO[C@H]1C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@](C)(CO)C1 ZINC000879261147 686782589 /nfs/dbraw/zinc/78/25/89/686782589.db2.gz FYKYSBDWCKJHQZ-RISCZKNCSA-N 1 2 359.220 2.329 20 5 FEBDLO CO[C@H]1C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@](C)(CO)C1 ZINC000879261147 686782591 /nfs/dbraw/zinc/78/25/91/686782591.db2.gz FYKYSBDWCKJHQZ-RISCZKNCSA-N 1 2 359.220 2.329 20 5 FEBDLO CCOC(=O)[C@@]1(F)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1CC ZINC000886877379 688330765 /nfs/dbraw/zinc/33/07/65/688330765.db2.gz ACGRPMCTMZPRAN-JLJPHGGASA-N 1 2 354.378 2.241 20 5 FEBDLO CCOC(=O)[C@@]1(F)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1CC ZINC000886877379 688330768 /nfs/dbraw/zinc/33/07/68/688330768.db2.gz ACGRPMCTMZPRAN-JLJPHGGASA-N 1 2 354.378 2.241 20 5 FEBDLO COc1c(O)ccc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000892138343 689155577 /nfs/dbraw/zinc/15/55/77/689155577.db2.gz IYFGLKRBFPNLKP-CQSZACIVSA-N 1 2 364.320 2.444 20 5 FEBDLO Cn1ncc([N+](=O)[O-])c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000893057550 689289745 /nfs/dbraw/zinc/28/97/45/689289745.db2.gz ZJOPLLMPSBZCLV-GJZGRUSLSA-N 1 2 365.821 2.466 20 5 FEBDLO Cn1ncc([N+](=O)[O-])c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000893057550 689289747 /nfs/dbraw/zinc/28/97/47/689289747.db2.gz ZJOPLLMPSBZCLV-GJZGRUSLSA-N 1 2 365.821 2.466 20 5 FEBDLO C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000895246115 689683541 /nfs/dbraw/zinc/68/35/41/689683541.db2.gz LMTYKZVICHFYTN-HZMBPMFUSA-N 1 2 357.252 2.404 20 5 FEBDLO C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000895246115 689683542 /nfs/dbraw/zinc/68/35/42/689683542.db2.gz LMTYKZVICHFYTN-HZMBPMFUSA-N 1 2 357.252 2.404 20 5 FEBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1nc(C[NH+](C)C)cs1 ZINC000895478890 689723768 /nfs/dbraw/zinc/72/37/68/689723768.db2.gz GZENOTVJIYMVHE-UHFFFAOYSA-N 1 2 364.353 2.477 20 5 FEBDLO COC(=O)Cc1ccc(NCc2nc(C[NH+](C)C)cs2)c([N+](=O)[O-])c1 ZINC000895481875 689724304 /nfs/dbraw/zinc/72/43/04/689724304.db2.gz ZFRUGOAGLVFOCD-UHFFFAOYSA-N 1 2 364.427 2.441 20 5 FEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800201654 674032675 /nfs/dbraw/zinc/03/26/75/674032675.db2.gz KCYCRDYDFHQQEB-ZBFHGGJFSA-N 1 2 350.415 2.427 20 5 FEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800201654 674032679 /nfs/dbraw/zinc/03/26/79/674032679.db2.gz KCYCRDYDFHQQEB-ZBFHGGJFSA-N 1 2 350.415 2.427 20 5 FEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1cccc(F)c1 ZINC000024016687 539724019 /nfs/dbraw/zinc/72/40/19/539724019.db2.gz UFNOYJHBOVEAIR-HNNXBMFYSA-N 1 2 357.345 2.325 20 5 FEBDLO COc1ccccc1N1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000027270290 539803746 /nfs/dbraw/zinc/80/37/46/539803746.db2.gz DPDNZCKKOZSTDH-UHFFFAOYSA-N 1 2 370.409 2.025 20 5 FEBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000027483241 539807908 /nfs/dbraw/zinc/80/79/08/539807908.db2.gz AJIQXGRRWWYXJD-UHFFFAOYSA-N 1 2 353.382 2.151 20 5 FEBDLO CNC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000029929600 539868992 /nfs/dbraw/zinc/86/89/92/539868992.db2.gz ODLXWCHQXUQDNW-UHFFFAOYSA-N 1 2 370.409 2.333 20 5 FEBDLO CNC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000029929600 539868994 /nfs/dbraw/zinc/86/89/94/539868994.db2.gz ODLXWCHQXUQDNW-UHFFFAOYSA-N 1 2 370.409 2.333 20 5 FEBDLO CNC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000029929595 539869001 /nfs/dbraw/zinc/86/90/01/539869001.db2.gz LRNHEEXRCACHKH-UHFFFAOYSA-N 1 2 370.409 2.333 20 5 FEBDLO CNC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000029929595 539869003 /nfs/dbraw/zinc/86/90/03/539869003.db2.gz LRNHEEXRCACHKH-UHFFFAOYSA-N 1 2 370.409 2.333 20 5 FEBDLO O=C(CC[NH+]1CCN(CC(F)(F)F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000041896820 540039127 /nfs/dbraw/zinc/03/91/27/540039127.db2.gz VUIAJOLFUFRSSZ-UHFFFAOYSA-N 1 2 360.336 2.103 20 5 FEBDLO COc1ccc(NC(=O)NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000043784127 540109501 /nfs/dbraw/zinc/10/95/01/540109501.db2.gz CXGYWCZMGDAKER-UHFFFAOYSA-N 1 2 372.381 2.384 20 5 FEBDLO COc1ccc(NC(=O)NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000043784127 540109503 /nfs/dbraw/zinc/10/95/03/540109503.db2.gz CXGYWCZMGDAKER-UHFFFAOYSA-N 1 2 372.381 2.384 20 5 FEBDLO COc1ccc(CSCC(=O)N(C)Cc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000046167240 540245457 /nfs/dbraw/zinc/24/54/57/540245457.db2.gz TZDLPILSFIIUKO-UHFFFAOYSA-N 1 2 364.427 2.229 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000046341256 540252586 /nfs/dbraw/zinc/25/25/86/540252586.db2.gz HRJPIBVYMLMDNR-OKILXGFUSA-N 1 2 373.413 2.039 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000046341256 540252588 /nfs/dbraw/zinc/25/25/88/540252588.db2.gz HRJPIBVYMLMDNR-OKILXGFUSA-N 1 2 373.413 2.039 20 5 FEBDLO Nc1ccc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000047417488 540308759 /nfs/dbraw/zinc/30/87/59/540308759.db2.gz ADVVFPPLEJMHGS-UHFFFAOYSA-N 1 2 355.398 2.492 20 5 FEBDLO O=C(C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)NC(C1CC1)C1CC1 ZINC000052844671 540493674 /nfs/dbraw/zinc/49/36/74/540493674.db2.gz BHTNJBIQTJVTQJ-UHFFFAOYSA-N 1 2 358.442 2.022 20 5 FEBDLO CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000052868073 540496026 /nfs/dbraw/zinc/49/60/26/540496026.db2.gz GJOPJSAUNIBWLC-JSGCOSHPSA-N 1 2 364.402 2.132 20 5 FEBDLO CCOC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000052868073 540496027 /nfs/dbraw/zinc/49/60/27/540496027.db2.gz GJOPJSAUNIBWLC-JSGCOSHPSA-N 1 2 364.402 2.132 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH+](Cc2ccco2)CC1 ZINC000053813853 540555770 /nfs/dbraw/zinc/55/57/70/540555770.db2.gz OSMYPVKMNKNMRU-UHFFFAOYSA-N 1 2 358.398 2.253 20 5 FEBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000054646096 540599525 /nfs/dbraw/zinc/59/95/25/540599525.db2.gz NPYVPKMOJWWFOG-UHFFFAOYSA-N 1 2 358.398 2.258 20 5 FEBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000054636401 540599847 /nfs/dbraw/zinc/59/98/47/540599847.db2.gz CYEHAJFVPTUQDB-AWEZNQCLSA-N 1 2 371.441 2.180 20 5 FEBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000055214426 540635780 /nfs/dbraw/zinc/63/57/80/540635780.db2.gz UTEVKHUTSAVQMX-ZDUSSCGKSA-N 1 2 373.431 2.377 20 5 FEBDLO CC(C)C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000055971438 540691357 /nfs/dbraw/zinc/69/13/57/540691357.db2.gz SCWVXVDCIXTLAY-UHFFFAOYSA-N 1 2 361.851 2.211 20 5 FEBDLO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[NH+]2CCOCC2)cc1 ZINC000056343194 540719889 /nfs/dbraw/zinc/71/98/89/540719889.db2.gz NMLAXIRDQPKWAD-QGZVFWFLSA-N 1 2 358.398 2.035 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000060391697 541109761 /nfs/dbraw/zinc/10/97/61/541109761.db2.gz ZFOSXEKLDLKSOP-ZDUSSCGKSA-N 1 2 353.806 2.185 20 5 FEBDLO CCOC1CC[NH+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000060485471 541114136 /nfs/dbraw/zinc/11/41/36/541114136.db2.gz PLQGXUSAGKHMOK-GFCCVEGCSA-N 1 2 351.403 2.431 20 5 FEBDLO O=C(c1cccs1)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065208844 541229114 /nfs/dbraw/zinc/22/91/14/541229114.db2.gz MGLYVGYRCHPRMK-UHFFFAOYSA-N 1 2 361.423 2.493 20 5 FEBDLO CC(C)c1nc(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000541626499 541237115 /nfs/dbraw/zinc/23/71/15/541237115.db2.gz KZOYZEMEPYOLIC-UHFFFAOYSA-N 1 2 350.400 2.394 20 5 FEBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCCc1cn2c([nH+]1)CCCC2 ZINC000069063154 541652936 /nfs/dbraw/zinc/65/29/36/541652936.db2.gz RBFIXQIRDPODRU-UHFFFAOYSA-N 1 2 373.413 2.048 20 5 FEBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000801799584 674149873 /nfs/dbraw/zinc/14/98/73/674149873.db2.gz ZTZOBQYCKPHHII-UHFFFAOYSA-N 1 2 364.402 2.336 20 5 FEBDLO CCC(=O)N1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000077389570 542377169 /nfs/dbraw/zinc/37/71/69/542377169.db2.gz JRUSWNRSDXICBU-CQSZACIVSA-N 1 2 362.430 2.175 20 5 FEBDLO CCC(=O)N1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000077389570 542377172 /nfs/dbraw/zinc/37/71/72/542377172.db2.gz JRUSWNRSDXICBU-CQSZACIVSA-N 1 2 362.430 2.175 20 5 FEBDLO CCc1cc(NC[C@H](O)c2cnn(C)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000078374817 542458457 /nfs/dbraw/zinc/45/84/57/542458457.db2.gz LXYQQRKMOPHKOF-INIZCTEOSA-N 1 2 368.397 2.493 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079562696 542526890 /nfs/dbraw/zinc/52/68/90/542526890.db2.gz MTHQNXZPRRVORW-SNVBAGLBSA-N 1 2 361.320 2.064 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(CC(N)=O)CC1 ZINC000080013895 542558074 /nfs/dbraw/zinc/55/80/74/542558074.db2.gz YZVRFUGBRUOXQK-SNVBAGLBSA-N 1 2 368.821 2.163 20 5 FEBDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000081017589 542625189 /nfs/dbraw/zinc/62/51/89/542625189.db2.gz VQUSTVJTEHBREC-UHFFFAOYSA-N 1 2 358.398 2.218 20 5 FEBDLO CCOC(=O)C[N@H+]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000081017589 542625193 /nfs/dbraw/zinc/62/51/93/542625193.db2.gz VQUSTVJTEHBREC-UHFFFAOYSA-N 1 2 358.398 2.218 20 5 FEBDLO NC(=O)c1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000115355516 132247100 /nfs/dbraw/zinc/24/71/00/132247100.db2.gz FSDXEUPIPHHGPD-UHFFFAOYSA-N 1 2 358.373 2.155 20 5 FEBDLO Cc1cc(N2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000071951380 132302990 /nfs/dbraw/zinc/30/29/90/132302990.db2.gz MWHRLDQRNSQVOL-SFHVURJKSA-N 1 2 354.410 2.252 20 5 FEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858765 543541866 /nfs/dbraw/zinc/54/18/66/543541866.db2.gz JMDJNGWTLKIYMX-SWLSCSKDSA-N 1 2 365.455 2.055 20 5 FEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114858765 543541868 /nfs/dbraw/zinc/54/18/68/543541868.db2.gz JMDJNGWTLKIYMX-SWLSCSKDSA-N 1 2 365.455 2.055 20 5 FEBDLO COCCCOC1CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000122726629 543720149 /nfs/dbraw/zinc/72/01/49/543720149.db2.gz IOFIDZPSCJOYJC-UHFFFAOYSA-N 1 2 365.430 2.359 20 5 FEBDLO COc1c(C)c[nH+]c(Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)c1C ZINC000126896164 543962238 /nfs/dbraw/zinc/96/22/38/543962238.db2.gz NZZMWACOIYUGSE-UHFFFAOYSA-N 1 2 356.338 2.480 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000127549753 544000326 /nfs/dbraw/zinc/00/03/26/544000326.db2.gz ZLVWQBKQCLMPNA-KBPBESRZSA-N 1 2 350.419 2.442 20 5 FEBDLO Cc1cc(N2CCOC[C@H]2C[C@@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000130014624 544135345 /nfs/dbraw/zinc/13/53/45/544135345.db2.gz ORLRQXJKIWXMAW-CZUORRHYSA-N 1 2 358.398 2.336 20 5 FEBDLO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2cn3ccccc3[nH+]2)C1=O ZINC000097604346 222198739 /nfs/dbraw/zinc/19/87/39/222198739.db2.gz IZNOBXOJLHZDFZ-GOSISDBHSA-N 1 2 365.349 2.210 20 5 FEBDLO Cn1ccnc1[C@@H](NCC[NH+]1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000552247223 674197462 /nfs/dbraw/zinc/19/74/62/674197462.db2.gz GYAYMBISDLYPQB-INIZCTEOSA-N 1 2 361.471 2.056 20 5 FEBDLO CN(CCCn1cc[nH+]c1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000133040003 544253598 /nfs/dbraw/zinc/25/35/98/544253598.db2.gz RKRYEHXAKDUISZ-UHFFFAOYSA-N 1 2 374.369 2.314 20 5 FEBDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000180313172 327681056 /nfs/dbraw/zinc/68/10/56/327681056.db2.gz DMEMILXNCHKAAO-UHFFFAOYSA-N 1 2 366.443 2.109 20 5 FEBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000180621395 327694128 /nfs/dbraw/zinc/69/41/28/327694128.db2.gz AHBBZLXUIFFGSS-UHFFFAOYSA-N 1 2 365.393 2.394 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183861521 327839718 /nfs/dbraw/zinc/83/97/18/327839718.db2.gz XGMYMETYCGIREB-UHFFFAOYSA-N 1 2 356.386 2.356 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000184507776 327870683 /nfs/dbraw/zinc/87/06/83/327870683.db2.gz PEIOGTCCTJMOHB-UHFFFAOYSA-N 1 2 371.397 2.164 20 5 FEBDLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cn1 ZINC000184681305 327878544 /nfs/dbraw/zinc/87/85/44/327878544.db2.gz SGDUIIGVMUPNJB-UHFFFAOYSA-N 1 2 353.338 2.120 20 5 FEBDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2)CC1 ZINC000187145956 328004863 /nfs/dbraw/zinc/00/48/63/328004863.db2.gz GXEJPRBTBNHTMX-UHFFFAOYSA-N 1 2 372.381 2.104 20 5 FEBDLO COc1cc(C(=O)N2CC[NH+](CCOC(C)C)CC2)cc([N+](=O)[O-])c1C ZINC000188655680 328101973 /nfs/dbraw/zinc/10/19/73/328101973.db2.gz WINJCOVXMQUUPM-UHFFFAOYSA-N 1 2 365.430 2.095 20 5 FEBDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000188788781 328110886 /nfs/dbraw/zinc/11/08/86/328110886.db2.gz GFPARPPYWSLYQV-NVXWUHKLSA-N 1 2 360.366 2.353 20 5 FEBDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000188788781 328110887 /nfs/dbraw/zinc/11/08/87/328110887.db2.gz GFPARPPYWSLYQV-NVXWUHKLSA-N 1 2 360.366 2.353 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)n1 ZINC000191764109 328280588 /nfs/dbraw/zinc/28/05/88/328280588.db2.gz OCLISUWKVDSKPR-UHFFFAOYSA-N 1 2 368.397 2.029 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N(C)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000192059668 328297589 /nfs/dbraw/zinc/29/75/89/328297589.db2.gz PNKPBIKKJHYWNQ-UHFFFAOYSA-N 1 2 352.416 2.119 20 5 FEBDLO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000193978853 328404963 /nfs/dbraw/zinc/40/49/63/328404963.db2.gz ONNKKTLWJHCCGL-UHFFFAOYSA-N 1 2 356.382 2.090 20 5 FEBDLO CCc1nsc(N2CC[NH+](Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)n1 ZINC000076063456 324917529 /nfs/dbraw/zinc/91/75/29/324917529.db2.gz ZLYPJDKQNDQZPI-UHFFFAOYSA-N 1 2 363.443 2.340 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)c2ccc[nH+]c2N(C)C)cc1C ZINC000080280109 325126901 /nfs/dbraw/zinc/12/69/01/325126901.db2.gz XIZUUGLDWVTDLP-UHFFFAOYSA-N 1 2 364.427 2.498 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091084557 325373960 /nfs/dbraw/zinc/37/39/60/325373960.db2.gz JXDSXSGPFMKPEB-LBPRGKRZSA-N 1 2 356.373 2.195 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCN(CC(F)F)CC1 ZINC000091084557 325373962 /nfs/dbraw/zinc/37/39/62/325373962.db2.gz JXDSXSGPFMKPEB-LBPRGKRZSA-N 1 2 356.373 2.195 20 5 FEBDLO Cc1nn(C)c(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1[N+](=O)[O-] ZINC000107178325 325620912 /nfs/dbraw/zinc/62/09/12/325620912.db2.gz NPKVRCBWCGLLGH-UHFFFAOYSA-N 1 2 372.429 2.342 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000120007243 326220485 /nfs/dbraw/zinc/22/04/85/326220485.db2.gz TVNCZZLUWVJFTO-OAHLLOKOSA-N 1 2 370.409 2.462 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000120007374 326220526 /nfs/dbraw/zinc/22/05/26/326220526.db2.gz TVNCZZLUWVJFTO-HNNXBMFYSA-N 1 2 370.409 2.462 20 5 FEBDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000121120130 326315070 /nfs/dbraw/zinc/31/50/70/326315070.db2.gz QAKYJGKVUIOSEY-LLVKDONJSA-N 1 2 363.805 2.490 20 5 FEBDLO O=C(C[NH+]1CCN(c2cccs2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000121339704 326330712 /nfs/dbraw/zinc/33/07/12/326330712.db2.gz QLUNZMVJJOCSNG-UHFFFAOYSA-N 1 2 372.450 2.368 20 5 FEBDLO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000121402228 326336140 /nfs/dbraw/zinc/33/61/40/326336140.db2.gz PPYVAHUZYPENHH-LLVKDONJSA-N 1 2 354.363 2.373 20 5 FEBDLO O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000121791023 326367380 /nfs/dbraw/zinc/36/73/80/326367380.db2.gz TZGQEIAVPMZMBN-UHFFFAOYSA-N 1 2 351.366 2.434 20 5 FEBDLO CCN(CC)C(=O)C[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000121915451 326375596 /nfs/dbraw/zinc/37/55/96/326375596.db2.gz OKCUPNUUOMEOQB-VQHVLOKHSA-N 1 2 360.458 2.094 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000125446685 326471852 /nfs/dbraw/zinc/47/18/52/326471852.db2.gz CLUFEGLZCJCZLT-UHFFFAOYSA-N 1 2 358.807 2.122 20 5 FEBDLO Cc1sc(S(=O)(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000125514291 326473071 /nfs/dbraw/zinc/47/30/71/326473071.db2.gz ZCRMCGQKXDAISB-GXFFZTMASA-N 1 2 370.456 2.433 20 5 FEBDLO CC[C@H](C)[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(=O)OC ZINC000130451110 326557155 /nfs/dbraw/zinc/55/71/55/326557155.db2.gz FFOREIBNUKWKMH-BONVTDFDSA-N 1 2 355.366 2.240 20 5 FEBDLO CCOC(=O)c1ccnc(NCc2cccnc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000133325080 326606674 /nfs/dbraw/zinc/60/66/74/326606674.db2.gz NRLWYTYYOPUPBA-UHFFFAOYSA-N 1 2 368.353 2.359 20 5 FEBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000154753577 326768074 /nfs/dbraw/zinc/76/80/74/326768074.db2.gz IUYHOIWLZPJYJH-UHFFFAOYSA-N 1 2 354.370 2.139 20 5 FEBDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000155168659 326779999 /nfs/dbraw/zinc/77/99/99/326779999.db2.gz GFBZWLBFMCNEDO-UHFFFAOYSA-N 1 2 354.370 2.139 20 5 FEBDLO Cc1nc(C2([NH2+]C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CCCC2)no1 ZINC000161587273 327003635 /nfs/dbraw/zinc/00/36/35/327003635.db2.gz IWBUWDACIBMQKX-CQSZACIVSA-N 1 2 362.386 2.085 20 5 FEBDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000170875129 327104691 /nfs/dbraw/zinc/10/46/91/327104691.db2.gz JFRMPNKAUBJOBZ-UHFFFAOYSA-N 1 2 356.810 2.481 20 5 FEBDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000170875129 327104692 /nfs/dbraw/zinc/10/46/92/327104692.db2.gz JFRMPNKAUBJOBZ-UHFFFAOYSA-N 1 2 356.810 2.481 20 5 FEBDLO COC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173471255 327259581 /nfs/dbraw/zinc/25/95/81/327259581.db2.gz ZZMSLYUROWWENV-YOEHRIQHSA-N 1 2 356.382 2.390 20 5 FEBDLO COC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173471255 327259582 /nfs/dbraw/zinc/25/95/82/327259582.db2.gz ZZMSLYUROWWENV-YOEHRIQHSA-N 1 2 356.382 2.390 20 5 FEBDLO Cc1cc(NC(=O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC000174248059 327315382 /nfs/dbraw/zinc/31/53/82/327315382.db2.gz ADKVDNSNHFGDMF-UHFFFAOYSA-N 1 2 360.370 2.373 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000175077894 327372498 /nfs/dbraw/zinc/37/24/98/327372498.db2.gz GZACZMJWQMZRGM-CQSZACIVSA-N 1 2 353.444 2.070 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000175077894 327372499 /nfs/dbraw/zinc/37/24/99/327372499.db2.gz GZACZMJWQMZRGM-CQSZACIVSA-N 1 2 353.444 2.070 20 5 FEBDLO CCc1cnc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000175516246 327397164 /nfs/dbraw/zinc/39/71/64/327397164.db2.gz WCBPZHLUVOGQCG-ZDUSSCGKSA-N 1 2 351.428 2.485 20 5 FEBDLO CCc1cnc(C[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000175516246 327397165 /nfs/dbraw/zinc/39/71/65/327397165.db2.gz WCBPZHLUVOGQCG-ZDUSSCGKSA-N 1 2 351.428 2.485 20 5 FEBDLO O=[N+]([O-])c1ccccc1NCCNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000264655057 329045126 /nfs/dbraw/zinc/04/51/26/329045126.db2.gz PTBACYAZSHDBDH-AWEZNQCLSA-N 1 2 372.429 2.118 20 5 FEBDLO O=[N+]([O-])c1ccccc1NCCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000264655057 329045127 /nfs/dbraw/zinc/04/51/27/329045127.db2.gz PTBACYAZSHDBDH-AWEZNQCLSA-N 1 2 372.429 2.118 20 5 FEBDLO CN(CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)CC(F)(F)F ZINC000264730636 329054088 /nfs/dbraw/zinc/05/40/88/329054088.db2.gz DAFYRMHHMQYMTC-UHFFFAOYSA-N 1 2 371.319 2.004 20 5 FEBDLO CC1(C)C[NH+]=C(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)S1 ZINC000265733987 329154961 /nfs/dbraw/zinc/15/49/61/329154961.db2.gz CVGKLGVAPVTAJQ-UHFFFAOYSA-N 1 2 354.457 2.296 20 5 FEBDLO COc1cc(N2CC[NH+](Cc3cc(C)no3)CC2)c(F)cc1[N+](=O)[O-] ZINC000270503561 329605721 /nfs/dbraw/zinc/60/57/21/329605721.db2.gz GYDBYBBPDPHDNR-UHFFFAOYSA-N 1 2 350.350 2.361 20 5 FEBDLO CCN1CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1=O ZINC000276374959 330146341 /nfs/dbraw/zinc/14/63/41/330146341.db2.gz XROBYGIHRRIOOG-UHFFFAOYSA-N 1 2 355.398 2.419 20 5 FEBDLO CCOc1ccc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000367085236 330215391 /nfs/dbraw/zinc/21/53/91/330215391.db2.gz PLWVAZKVLAVKJF-HNNXBMFYSA-N 1 2 356.382 2.175 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCOCC2(CCC2)C1 ZINC000375784061 330250969 /nfs/dbraw/zinc/25/09/69/330250969.db2.gz ARXUSCNMFFNZPX-ZDUSSCGKSA-N 1 2 363.414 2.433 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCOCC2(CCC2)C1 ZINC000375784061 330250971 /nfs/dbraw/zinc/25/09/71/330250971.db2.gz ARXUSCNMFFNZPX-ZDUSSCGKSA-N 1 2 363.414 2.433 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(O)(C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000426241375 330271409 /nfs/dbraw/zinc/27/14/09/330271409.db2.gz CWNNMJNBZNNYIX-JTQLQIEISA-N 1 2 373.356 2.022 20 5 FEBDLO COC(=O)C1(N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCC1 ZINC000156305589 545616702 /nfs/dbraw/zinc/61/67/02/545616702.db2.gz BDVMIPRIQCVSNF-UHFFFAOYSA-N 1 2 372.381 2.338 20 5 FEBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)[C@@H]2C1 ZINC000158291590 545845291 /nfs/dbraw/zinc/84/52/91/545845291.db2.gz KSZYMJNNHBQSLC-BZUAXINKSA-N 1 2 374.397 2.413 20 5 FEBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)[C@@H]2C1 ZINC000158291590 545845296 /nfs/dbraw/zinc/84/52/96/545845296.db2.gz KSZYMJNNHBQSLC-BZUAXINKSA-N 1 2 374.397 2.413 20 5 FEBDLO Cc1cc(=O)n(C)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177677833 546665214 /nfs/dbraw/zinc/66/52/14/546665214.db2.gz FCJPCLIXQVBDGJ-UHFFFAOYSA-N 1 2 353.338 2.040 20 5 FEBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177727398 546674759 /nfs/dbraw/zinc/67/47/59/546674759.db2.gz ANANKHWXYFKBBK-UHFFFAOYSA-N 1 2 366.786 2.374 20 5 FEBDLO Nc1c(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000178178169 546753042 /nfs/dbraw/zinc/75/30/42/546753042.db2.gz ZTEJUWFPDXBZHG-UHFFFAOYSA-N 1 2 356.382 2.262 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)cc1C ZINC000178404760 546788028 /nfs/dbraw/zinc/78/80/28/546788028.db2.gz CDLUIKMVRXBXHM-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000481986758 561246908 /nfs/dbraw/zinc/24/69/08/561246908.db2.gz ZPIZVKMMOKALLI-UHFFFAOYSA-N 1 2 364.427 2.151 20 5 FEBDLO C[C@@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@@H]1n1cc[nH+]c1 ZINC000182397559 547485177 /nfs/dbraw/zinc/48/51/77/547485177.db2.gz FEWNJMRVHBQUGM-RISCZKNCSA-N 1 2 358.354 2.243 20 5 FEBDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184650704 547860664 /nfs/dbraw/zinc/86/06/64/547860664.db2.gz JXIMISNCVKSSJH-UHFFFAOYSA-N 1 2 370.837 2.158 20 5 FEBDLO CC1(C)COCC[N@H+]1CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184650704 547860668 /nfs/dbraw/zinc/86/06/68/547860668.db2.gz JXIMISNCVKSSJH-UHFFFAOYSA-N 1 2 370.837 2.158 20 5 FEBDLO CN(CC(=O)N1CCCN(c2cccc[nH+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000186436698 548135382 /nfs/dbraw/zinc/13/53/82/548135382.db2.gz YHOFIXSSFALJIO-UHFFFAOYSA-N 1 2 369.425 2.165 20 5 FEBDLO Cc1nn(C)c(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)c1[N+](=O)[O-] ZINC000194087039 548434301 /nfs/dbraw/zinc/43/43/01/548434301.db2.gz PHIVSGPDWPNXTH-ZDUSSCGKSA-N 1 2 372.360 2.029 20 5 FEBDLO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000486650428 561353414 /nfs/dbraw/zinc/35/34/14/561353414.db2.gz YXBVCRNYUFEUBU-ZDUSSCGKSA-N 1 2 361.851 2.209 20 5 FEBDLO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000486650428 561353415 /nfs/dbraw/zinc/35/34/15/561353415.db2.gz YXBVCRNYUFEUBU-ZDUSSCGKSA-N 1 2 361.851 2.209 20 5 FEBDLO C[C@@H]1CN(CC[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](C)O1 ZINC000195316616 548620392 /nfs/dbraw/zinc/62/03/92/548620392.db2.gz YERINOLMPXZSJV-OKILXGFUSA-N 1 2 365.430 2.002 20 5 FEBDLO C[C@@H]1CN(CC[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](C)O1 ZINC000195316616 548620395 /nfs/dbraw/zinc/62/03/95/548620395.db2.gz YERINOLMPXZSJV-OKILXGFUSA-N 1 2 365.430 2.002 20 5 FEBDLO COCCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000245850402 549003819 /nfs/dbraw/zinc/00/38/19/549003819.db2.gz JEFJWUWHLMWVSC-LSDHHAIUSA-N 1 2 365.430 2.358 20 5 FEBDLO COCCO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000245850402 549003821 /nfs/dbraw/zinc/00/38/21/549003821.db2.gz JEFJWUWHLMWVSC-LSDHHAIUSA-N 1 2 365.430 2.358 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000489184212 561405262 /nfs/dbraw/zinc/40/52/62/561405262.db2.gz DXBIUNQPIIIMSN-OAHLLOKOSA-N 1 2 362.357 2.368 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCOc2ccc(F)cc2C1 ZINC000489184212 561405263 /nfs/dbraw/zinc/40/52/63/561405263.db2.gz DXBIUNQPIIIMSN-OAHLLOKOSA-N 1 2 362.357 2.368 20 5 FEBDLO COC[C@@H]1C[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)O1 ZINC000251504564 549646636 /nfs/dbraw/zinc/64/66/36/549646636.db2.gz BUOCXLBPCFVVGC-XUJVJEKNSA-N 1 2 362.386 2.442 20 5 FEBDLO COC[C@@H]1C[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)O1 ZINC000251504564 549646640 /nfs/dbraw/zinc/64/66/40/549646640.db2.gz BUOCXLBPCFVVGC-XUJVJEKNSA-N 1 2 362.386 2.442 20 5 FEBDLO CCCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000263696868 549921544 /nfs/dbraw/zinc/92/15/44/549921544.db2.gz HXUGUPNJMWEKBE-AWEZNQCLSA-N 1 2 362.430 2.162 20 5 FEBDLO CCCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000263696868 549921546 /nfs/dbraw/zinc/92/15/46/549921546.db2.gz HXUGUPNJMWEKBE-AWEZNQCLSA-N 1 2 362.430 2.162 20 5 FEBDLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000269219901 550168925 /nfs/dbraw/zinc/16/89/25/550168925.db2.gz ZZEKTUFQNSCVHV-GUTXKFCHSA-N 1 2 363.414 2.014 20 5 FEBDLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000269219901 550168927 /nfs/dbraw/zinc/16/89/27/550168927.db2.gz ZZEKTUFQNSCVHV-GUTXKFCHSA-N 1 2 363.414 2.014 20 5 FEBDLO CCOC(=O)c1ccnc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000269841775 550229733 /nfs/dbraw/zinc/22/97/33/550229733.db2.gz CGUATEJIDZMRMP-GFCCVEGCSA-N 1 2 357.370 2.252 20 5 FEBDLO COC(=O)/C=C/c1ccc(SCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000270539624 550281513 /nfs/dbraw/zinc/28/15/13/550281513.db2.gz WSEFWGINTXTLGU-HWKANZROSA-N 1 2 352.412 2.205 20 5 FEBDLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000271007683 550331260 /nfs/dbraw/zinc/33/12/60/550331260.db2.gz ZKLUYLLAUUNTEL-MRXNPFEDSA-N 1 2 356.382 2.447 20 5 FEBDLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000271007683 550331263 /nfs/dbraw/zinc/33/12/63/550331263.db2.gz ZKLUYLLAUUNTEL-MRXNPFEDSA-N 1 2 356.382 2.447 20 5 FEBDLO O=C(NC[C@@H]1COC2(CCCC2)O1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000271540625 550383588 /nfs/dbraw/zinc/38/35/88/550383588.db2.gz JXIDAUMSEAGDDQ-CQSZACIVSA-N 1 2 372.381 2.196 20 5 FEBDLO CN(C)c1ccc(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000272537510 550456545 /nfs/dbraw/zinc/45/65/45/550456545.db2.gz NHZGVYDICIJNQO-UHFFFAOYSA-N 1 2 350.325 2.464 20 5 FEBDLO Cn1ccnc1[C@H](NCC[NH+]1CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272549688 550457464 /nfs/dbraw/zinc/45/74/64/550457464.db2.gz RCVNKBGOMRVOAT-MRXNPFEDSA-N 1 2 361.471 2.056 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+]CCN1CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272549688 550457465 /nfs/dbraw/zinc/45/74/65/550457465.db2.gz RCVNKBGOMRVOAT-MRXNPFEDSA-N 1 2 361.471 2.056 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1nnc(C)s1 ZINC000273538083 550502071 /nfs/dbraw/zinc/50/20/71/550502071.db2.gz DMIKOUCKSVZHBM-DTWKUNHWSA-N 1 2 365.415 2.441 20 5 FEBDLO COc1ccc(OC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000276897283 550608261 /nfs/dbraw/zinc/60/82/61/550608261.db2.gz NWKADSKGYKPCPK-GOSISDBHSA-N 1 2 372.377 2.410 20 5 FEBDLO COc1ccc(OC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000276897283 550608262 /nfs/dbraw/zinc/60/82/62/550608262.db2.gz NWKADSKGYKPCPK-GOSISDBHSA-N 1 2 372.377 2.410 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000277672290 550699579 /nfs/dbraw/zinc/69/95/79/550699579.db2.gz FUCBHPPFMUXGON-QMTHXVAHSA-N 1 2 361.320 2.169 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000277672290 550699581 /nfs/dbraw/zinc/69/95/81/550699581.db2.gz FUCBHPPFMUXGON-QMTHXVAHSA-N 1 2 361.320 2.169 20 5 FEBDLO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000278282642 550768510 /nfs/dbraw/zinc/76/85/10/550768510.db2.gz KFQNFASAWOKXRM-SWLSCSKDSA-N 1 2 358.822 2.094 20 5 FEBDLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000278282642 550768511 /nfs/dbraw/zinc/76/85/11/550768511.db2.gz KFQNFASAWOKXRM-SWLSCSKDSA-N 1 2 358.822 2.094 20 5 FEBDLO O=C(NCCNc1cccc[nH+]1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000495242264 561485482 /nfs/dbraw/zinc/48/54/82/561485482.db2.gz WWTSZLJZRAMCBI-UHFFFAOYSA-N 1 2 352.297 2.433 20 5 FEBDLO CCOc1cc(N2CC[NH+](Cc3ccc(CO)o3)CC2)ccc1[N+](=O)[O-] ZINC000279661608 550914010 /nfs/dbraw/zinc/91/40/10/550914010.db2.gz GLVLLRYHXNZGMU-UHFFFAOYSA-N 1 2 361.398 2.401 20 5 FEBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C[C@@H](C)O2 ZINC000279666621 550914389 /nfs/dbraw/zinc/91/43/89/550914389.db2.gz DBUYWIWCHXLZSM-VFVRVIDISA-N 1 2 374.397 2.413 20 5 FEBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C[C@@H](C)O2 ZINC000279666621 550914391 /nfs/dbraw/zinc/91/43/91/550914391.db2.gz DBUYWIWCHXLZSM-VFVRVIDISA-N 1 2 374.397 2.413 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@]2(CCOC2)O1 ZINC000280242360 550973939 /nfs/dbraw/zinc/97/39/39/550973939.db2.gz AZTPPVDQLCJBNK-PXAZEXFGSA-N 1 2 360.370 2.025 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@]2(CCOC2)O1 ZINC000280242360 550973940 /nfs/dbraw/zinc/97/39/40/550973940.db2.gz AZTPPVDQLCJBNK-PXAZEXFGSA-N 1 2 360.370 2.025 20 5 FEBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000280522029 551003258 /nfs/dbraw/zinc/00/32/58/551003258.db2.gz RBOPGQYXIQZFQL-BFQNTYOBSA-N 1 2 351.359 2.271 20 5 FEBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000280522029 551003261 /nfs/dbraw/zinc/00/32/61/551003261.db2.gz RBOPGQYXIQZFQL-BFQNTYOBSA-N 1 2 351.359 2.271 20 5 FEBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000280684575 551021046 /nfs/dbraw/zinc/02/10/46/551021046.db2.gz BBFPTBVTEXIBFL-UHFFFAOYSA-N 1 2 357.366 2.385 20 5 FEBDLO CCC(=O)c1ccc(NC2CC[NH+](CC(=O)N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000280771021 551030516 /nfs/dbraw/zinc/03/05/16/551030516.db2.gz RUJZOIZAUNFIOY-UHFFFAOYSA-N 1 2 362.430 2.152 20 5 FEBDLO Cc1cc(OCC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)ccc1[N+](=O)[O-] ZINC000280841675 551037925 /nfs/dbraw/zinc/03/79/25/551037925.db2.gz QKMGCTGCCRFUCB-UHFFFAOYSA-N 1 2 362.411 2.365 20 5 FEBDLO Cc1cc(OCC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)ccc1[N+](=O)[O-] ZINC000280841675 551037926 /nfs/dbraw/zinc/03/79/26/551037926.db2.gz QKMGCTGCCRFUCB-UHFFFAOYSA-N 1 2 362.411 2.365 20 5 FEBDLO CN(C(=O)C[N@@H+]1CC[C@@H](OCc2ccncc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000281047415 551058049 /nfs/dbraw/zinc/05/80/49/551058049.db2.gz QOFYRCIIJBAQTH-GOSISDBHSA-N 1 2 370.409 2.244 20 5 FEBDLO CN(C(=O)C[N@H+]1CC[C@@H](OCc2ccncc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000281047415 551058051 /nfs/dbraw/zinc/05/80/51/551058051.db2.gz QOFYRCIIJBAQTH-GOSISDBHSA-N 1 2 370.409 2.244 20 5 FEBDLO O=C(C[N@@H+]1CC[C@H](OCc2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000281070579 551060235 /nfs/dbraw/zinc/06/02/35/551060235.db2.gz SWXNADXQTSETRS-HNNXBMFYSA-N 1 2 356.382 2.219 20 5 FEBDLO O=C(C[N@H+]1CC[C@H](OCc2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000281070579 551060237 /nfs/dbraw/zinc/06/02/37/551060237.db2.gz SWXNADXQTSETRS-HNNXBMFYSA-N 1 2 356.382 2.219 20 5 FEBDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000282184624 551191577 /nfs/dbraw/zinc/19/15/77/551191577.db2.gz NHTLQYJAWRXCCR-ZDUSSCGKSA-N 1 2 373.413 2.063 20 5 FEBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000282184624 551191578 /nfs/dbraw/zinc/19/15/78/551191578.db2.gz NHTLQYJAWRXCCR-ZDUSSCGKSA-N 1 2 373.413 2.063 20 5 FEBDLO CS(=O)(=O)c1cccc(N2CCC(c3c[nH]c[nH+]3)CC2)c1[N+](=O)[O-] ZINC000497538405 561503444 /nfs/dbraw/zinc/50/34/44/561503444.db2.gz JZURFYDLXAMYQU-UHFFFAOYSA-N 1 2 350.400 2.105 20 5 FEBDLO CS(=O)(=O)c1cccc(N2CCC(c3c[nH+]c[nH]3)CC2)c1[N+](=O)[O-] ZINC000497538405 561503445 /nfs/dbraw/zinc/50/34/45/561503445.db2.gz JZURFYDLXAMYQU-UHFFFAOYSA-N 1 2 350.400 2.105 20 5 FEBDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)CC2)cc1 ZINC000497998018 561513419 /nfs/dbraw/zinc/51/34/19/561513419.db2.gz FHJVQQZMTXILEV-UHFFFAOYSA-N 1 2 372.425 2.290 20 5 FEBDLO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1nc(-c2cccs2)no1 ZINC000285210358 551721159 /nfs/dbraw/zinc/72/11/59/551721159.db2.gz DNTWLXMVGLTQFO-UHFFFAOYSA-N 1 2 361.383 2.000 20 5 FEBDLO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1nc(-c2cccs2)no1 ZINC000285210358 551721160 /nfs/dbraw/zinc/72/11/60/551721160.db2.gz DNTWLXMVGLTQFO-UHFFFAOYSA-N 1 2 361.383 2.000 20 5 FEBDLO Cc1cc(NCCn2ccccc2=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000498932498 561538344 /nfs/dbraw/zinc/53/83/44/561538344.db2.gz VKKWZNLQEKVTEV-UHFFFAOYSA-N 1 2 351.366 2.056 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000285682721 551794622 /nfs/dbraw/zinc/79/46/22/551794622.db2.gz GLLFNHDVUOOWPC-DZGCQCFKSA-N 1 2 365.455 2.009 20 5 FEBDLO Cc1cc[nH+]cc1N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000500665826 561578886 /nfs/dbraw/zinc/57/88/86/561578886.db2.gz NWLDNFCLRWUETR-UHFFFAOYSA-N 1 2 358.373 2.329 20 5 FEBDLO NC(=O)c1ccnc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)c1[N+](=O)[O-] ZINC000290454979 552481659 /nfs/dbraw/zinc/48/16/59/552481659.db2.gz DNWWOQABIBYYCV-UHFFFAOYSA-N 1 2 366.381 2.349 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCn2c[nH+]cc2C1 ZINC000291115342 552588313 /nfs/dbraw/zinc/58/83/13/552588313.db2.gz MWQOOPGJYLXYGH-UHFFFAOYSA-N 1 2 355.398 2.438 20 5 FEBDLO CCn1cc[nH+]c1CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000295194107 552968829 /nfs/dbraw/zinc/96/88/29/552968829.db2.gz AWNPVPAXCFTZSH-UHFFFAOYSA-N 1 2 358.807 2.252 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1(C)C ZINC000296318264 553140400 /nfs/dbraw/zinc/14/04/00/553140400.db2.gz RTVNRCGQRQNYGA-MRXNPFEDSA-N 1 2 372.381 2.129 20 5 FEBDLO Cc1cc(F)c(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000296652481 553193590 /nfs/dbraw/zinc/19/35/90/553193590.db2.gz FONAMLBJTNRXJJ-QWHCGFSZSA-N 1 2 366.393 2.369 20 5 FEBDLO COc1cc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)c([N+](=O)[O-])cc1OC ZINC000503070243 561633638 /nfs/dbraw/zinc/63/36/38/561633638.db2.gz CGGKPCDTTFOBQJ-CYBMUJFWSA-N 1 2 372.443 2.011 20 5 FEBDLO COc1cc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)CC2)c([N+](=O)[O-])cc1OC ZINC000503070243 561633639 /nfs/dbraw/zinc/63/36/39/561633639.db2.gz CGGKPCDTTFOBQJ-CYBMUJFWSA-N 1 2 372.443 2.011 20 5 FEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000298081901 553381843 /nfs/dbraw/zinc/38/18/43/553381843.db2.gz LXVAIJRSNCQZDY-MRXNPFEDSA-N 1 2 362.817 2.499 20 5 FEBDLO O=C(C1CC1)N1CCN(c2ccc(Nc3ncccc3[N+](=O)[O-])c[nH+]2)CC1 ZINC000299663334 553599396 /nfs/dbraw/zinc/59/93/96/553599396.db2.gz YDPUNXOFBTTZKA-UHFFFAOYSA-N 1 2 368.397 2.187 20 5 FEBDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000301215505 553631737 /nfs/dbraw/zinc/63/17/37/553631737.db2.gz XNKHIXATMIEJJD-SNVBAGLBSA-N 1 2 364.356 2.128 20 5 FEBDLO Cc1cc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)ccc1[N+](=O)[O-] ZINC000301410329 553649680 /nfs/dbraw/zinc/64/96/80/553649680.db2.gz ORMSYUGGPMFZKU-SFHVURJKSA-N 1 2 362.474 2.134 20 5 FEBDLO Cc1ccc(N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000301461766 553653731 /nfs/dbraw/zinc/65/37/31/553653731.db2.gz ZWYPLPDVCNUNNG-INIZCTEOSA-N 1 2 360.458 2.426 20 5 FEBDLO COc1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c(F)cc1[N+](=O)[O-] ZINC000301873211 553687526 /nfs/dbraw/zinc/68/75/26/553687526.db2.gz JKHHFGCASPWCEE-INIZCTEOSA-N 1 2 371.434 2.362 20 5 FEBDLO Cc1cc(N2CC[N@H+](CCO)[C@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302660937 553724630 /nfs/dbraw/zinc/72/46/30/553724630.db2.gz IIHKBOPECUNRML-LLVKDONJSA-N 1 2 358.236 2.169 20 5 FEBDLO Cc1cc(N2CC[N@@H+](CCO)[C@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302660937 553724633 /nfs/dbraw/zinc/72/46/33/553724633.db2.gz IIHKBOPECUNRML-LLVKDONJSA-N 1 2 358.236 2.169 20 5 FEBDLO O=[N+]([O-])c1ccc(NCCNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)cc1 ZINC000302781935 553732773 /nfs/dbraw/zinc/73/27/73/553732773.db2.gz JWKNXNJTBCNBNO-INIZCTEOSA-N 1 2 372.429 2.260 20 5 FEBDLO O=[N+]([O-])c1ccc(NCCNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)cc1 ZINC000302781935 553732775 /nfs/dbraw/zinc/73/27/75/553732775.db2.gz JWKNXNJTBCNBNO-INIZCTEOSA-N 1 2 372.429 2.260 20 5 FEBDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)no1 ZINC000507148754 561719362 /nfs/dbraw/zinc/71/93/62/561719362.db2.gz HCXDYTIHKOCXTM-UHFFFAOYSA-N 1 2 372.385 2.186 20 5 FEBDLO CC(C)SCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000330418502 554119426 /nfs/dbraw/zinc/11/94/26/554119426.db2.gz DQJPRYDRBZQPSN-UHFFFAOYSA-N 1 2 373.500 2.043 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000331017080 554201387 /nfs/dbraw/zinc/20/13/87/554201387.db2.gz PQJUNYUZNCKTBH-XMMPIXPASA-N 1 2 353.444 2.075 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[S@@](=O)CC1(C)C ZINC000331017080 554201389 /nfs/dbraw/zinc/20/13/89/554201389.db2.gz PQJUNYUZNCKTBH-XMMPIXPASA-N 1 2 353.444 2.075 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])CCC2 ZINC000331733332 554317856 /nfs/dbraw/zinc/31/78/56/554317856.db2.gz SEAQTSUFECBONU-CYBMUJFWSA-N 1 2 364.427 2.264 20 5 FEBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000332300377 554420318 /nfs/dbraw/zinc/42/03/18/554420318.db2.gz LIDSFHDUIRCIHO-UHFFFAOYSA-N 1 2 350.400 2.027 20 5 FEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332527560 554463455 /nfs/dbraw/zinc/46/34/55/554463455.db2.gz DDINULAEKCDNPY-CABCVRRESA-N 1 2 365.455 2.252 20 5 FEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332527560 554463456 /nfs/dbraw/zinc/46/34/56/554463456.db2.gz DDINULAEKCDNPY-CABCVRRESA-N 1 2 365.455 2.252 20 5 FEBDLO COc1ccc(OCC[NH2+][C@H](c2nnc[nH]2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000363886604 555206972 /nfs/dbraw/zinc/20/69/72/555206972.db2.gz XQLZZXUKFUVQNY-KRWDZBQOSA-N 1 2 369.381 2.480 20 5 FEBDLO Cc1nn2c(C[N@@H+]3CCC[C@H](n4cc([N+](=O)[O-])cn4)C3)c(C)nc2s1 ZINC000364328952 555292488 /nfs/dbraw/zinc/29/24/88/555292488.db2.gz PIPLCEHSRBMSEC-LBPRGKRZSA-N 1 2 361.431 2.349 20 5 FEBDLO Cc1nn2c(C[N@H+]3CCC[C@H](n4cc([N+](=O)[O-])cn4)C3)c(C)nc2s1 ZINC000364328952 555292490 /nfs/dbraw/zinc/29/24/90/555292490.db2.gz PIPLCEHSRBMSEC-LBPRGKRZSA-N 1 2 361.431 2.349 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc3c(c([N+](=O)[O-])c1)OCO3)CCC2 ZINC000364997228 555460918 /nfs/dbraw/zinc/46/09/18/555460918.db2.gz WUNPBBPPSAEUNO-NSHDSACASA-N 1 2 358.354 2.136 20 5 FEBDLO Cc1n[nH]c(C2CC[NH+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)n1 ZINC000365120938 555489987 /nfs/dbraw/zinc/48/99/87/555489987.db2.gz NBPGQHJBAYICJE-UHFFFAOYSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1nc(C2CC[NH+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)n[nH]1 ZINC000365120938 555489989 /nfs/dbraw/zinc/48/99/89/555489989.db2.gz NBPGQHJBAYICJE-UHFFFAOYSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1nnc(C2CC[NH+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)[nH]1 ZINC000365120938 555489990 /nfs/dbraw/zinc/48/99/90/555489990.db2.gz NBPGQHJBAYICJE-UHFFFAOYSA-N 1 2 369.385 2.451 20 5 FEBDLO COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)c2[nH+]ccn2C)cc1 ZINC000366194004 555777396 /nfs/dbraw/zinc/77/73/96/555777396.db2.gz XOIJNVZQHXSPFX-INIZCTEOSA-N 1 2 367.365 2.251 20 5 FEBDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000366460241 555850422 /nfs/dbraw/zinc/85/04/22/555850422.db2.gz IEKJMFGRPQPEFX-SFHVURJKSA-N 1 2 374.441 2.132 20 5 FEBDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000366460241 555850425 /nfs/dbraw/zinc/85/04/25/555850425.db2.gz IEKJMFGRPQPEFX-SFHVURJKSA-N 1 2 374.441 2.132 20 5 FEBDLO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1S(N)(=O)=O ZINC000514828054 561981669 /nfs/dbraw/zinc/98/16/69/561981669.db2.gz GXUVFKXIWTUKDT-RMKNXTFCSA-N 1 2 361.423 2.387 20 5 FEBDLO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1S(N)(=O)=O ZINC000514828054 561981671 /nfs/dbraw/zinc/98/16/71/561981671.db2.gz GXUVFKXIWTUKDT-RMKNXTFCSA-N 1 2 361.423 2.387 20 5 FEBDLO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000367663221 556108185 /nfs/dbraw/zinc/10/81/85/556108185.db2.gz DLTHBDDLJZUECW-OAHLLOKOSA-N 1 2 357.366 2.096 20 5 FEBDLO Cc1ncccc1O[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000368989076 556469446 /nfs/dbraw/zinc/46/94/46/556469446.db2.gz GBMAQBZCHGZGMI-QGZVFWFLSA-N 1 2 370.409 2.414 20 5 FEBDLO Cc1ncccc1O[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000368989076 556469448 /nfs/dbraw/zinc/46/94/48/556469448.db2.gz GBMAQBZCHGZGMI-QGZVFWFLSA-N 1 2 370.409 2.414 20 5 FEBDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000370349428 556847278 /nfs/dbraw/zinc/84/72/78/556847278.db2.gz QIWJGXBCEJUAGO-JKSUJKDBSA-N 1 2 352.387 2.016 20 5 FEBDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000370349428 556847276 /nfs/dbraw/zinc/84/72/76/556847276.db2.gz QIWJGXBCEJUAGO-JKSUJKDBSA-N 1 2 352.387 2.016 20 5 FEBDLO Cc1cc(N2CCC(NC(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)nc[nH+]1 ZINC000370461443 556879682 /nfs/dbraw/zinc/87/96/82/556879682.db2.gz BVOPLZUCNIJNOZ-UHFFFAOYSA-N 1 2 359.361 2.231 20 5 FEBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@H]2C1 ZINC000371062218 557062774 /nfs/dbraw/zinc/06/27/74/557062774.db2.gz BEDKXGUMXKMRIZ-IXDOHACOSA-N 1 2 364.398 2.230 20 5 FEBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@H]2C1 ZINC000371062218 557062779 /nfs/dbraw/zinc/06/27/79/557062779.db2.gz BEDKXGUMXKMRIZ-IXDOHACOSA-N 1 2 364.398 2.230 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cnn(-c3ccc([N+](=O)[O-])cc3)c1)C2 ZINC000371490313 557197469 /nfs/dbraw/zinc/19/74/69/557197469.db2.gz DKZQYQZANLSFSV-CQSZACIVSA-N 1 2 366.381 2.030 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1c1[nH+]ccn1C ZINC000371507124 557204147 /nfs/dbraw/zinc/20/41/47/557204147.db2.gz YBKBZVIVUKYTIF-AWEZNQCLSA-N 1 2 359.386 2.113 20 5 FEBDLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000371994548 557350818 /nfs/dbraw/zinc/35/08/18/557350818.db2.gz XTDZBKLRUCSOAZ-GDBMZVCRSA-N 1 2 351.378 2.107 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c(F)c1 ZINC000518607635 562115108 /nfs/dbraw/zinc/11/51/08/562115108.db2.gz ISNBZAFZFDPNJJ-LBPRGKRZSA-N 1 2 371.434 2.028 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c(F)c1 ZINC000518607635 562115109 /nfs/dbraw/zinc/11/51/09/562115109.db2.gz ISNBZAFZFDPNJJ-LBPRGKRZSA-N 1 2 371.434 2.028 20 5 FEBDLO O=C(NCCCNc1cccc[nH+]1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000518827798 562119448 /nfs/dbraw/zinc/11/94/48/562119448.db2.gz ONWSKONXVPVREZ-UHFFFAOYSA-N 1 2 359.386 2.170 20 5 FEBDLO O=[N+]([O-])c1ccc(OCCNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)cc1 ZINC000518845655 562119789 /nfs/dbraw/zinc/11/97/89/562119789.db2.gz HRAFIFSRVQAMAF-CQSZACIVSA-N 1 2 373.413 2.084 20 5 FEBDLO O=[N+]([O-])c1ccc(OCCNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)cc1 ZINC000518845655 562119790 /nfs/dbraw/zinc/11/97/90/562119790.db2.gz HRAFIFSRVQAMAF-CQSZACIVSA-N 1 2 373.413 2.084 20 5 FEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000520388859 562155218 /nfs/dbraw/zinc/15/52/18/562155218.db2.gz JLKHJXSOMTZBJM-GHMZBOCLSA-N 1 2 352.778 2.417 20 5 FEBDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000374013806 557807941 /nfs/dbraw/zinc/80/79/41/557807941.db2.gz JMXGSYUKFCIXKW-LBTNJELSSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000374013806 557807944 /nfs/dbraw/zinc/80/79/44/557807944.db2.gz JMXGSYUKFCIXKW-LBTNJELSSA-N 1 2 363.414 2.192 20 5 FEBDLO Cc1cc(N2CCC[C@]3(CNC(=O)O3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000375562394 558048919 /nfs/dbraw/zinc/04/89/19/558048919.db2.gz CJHPCVDMIDKBRB-SFHVURJKSA-N 1 2 369.381 2.439 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC000375756587 558077665 /nfs/dbraw/zinc/07/76/65/558077665.db2.gz HZWYIMSZMNGFEP-WCQYABFASA-N 1 2 359.386 2.493 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC000375756587 558077667 /nfs/dbraw/zinc/07/76/67/558077667.db2.gz HZWYIMSZMNGFEP-WCQYABFASA-N 1 2 359.386 2.493 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c([N+](=O)[O-])c1 ZINC000375762392 558078836 /nfs/dbraw/zinc/07/88/36/558078836.db2.gz VIIALVCRLPIMER-ZDUSSCGKSA-N 1 2 373.413 2.155 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3ccnn3C)C2)c([N+](=O)[O-])c1 ZINC000375762392 558078838 /nfs/dbraw/zinc/07/88/38/558078838.db2.gz VIIALVCRLPIMER-ZDUSSCGKSA-N 1 2 373.413 2.155 20 5 FEBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000376024021 558115704 /nfs/dbraw/zinc/11/57/04/558115704.db2.gz AIYHNBPNANGDAH-UHFFFAOYSA-N 1 2 374.485 2.156 20 5 FEBDLO CSc1cccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000376169862 558136114 /nfs/dbraw/zinc/13/61/14/558136114.db2.gz CXNLOPVXSJIIQK-OLZOCXBDSA-N 1 2 365.455 2.252 20 5 FEBDLO COC(=O)C[C@H]1COCCN1c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000377180789 558283215 /nfs/dbraw/zinc/28/32/15/558283215.db2.gz XSLSBUSYBUHCGF-HNNXBMFYSA-N 1 2 372.381 2.129 20 5 FEBDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000377293597 558308312 /nfs/dbraw/zinc/30/83/12/558308312.db2.gz LDJSJALHDDOPSS-UHFFFAOYSA-N 1 2 364.427 2.089 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C2 ZINC000377297636 558309230 /nfs/dbraw/zinc/30/92/30/558309230.db2.gz KGVGXLBVTIMHGJ-GFCCVEGCSA-N 1 2 359.342 2.061 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000377366192 558326721 /nfs/dbraw/zinc/32/67/21/558326721.db2.gz OYYKPLIHBRYZOK-YPMHNXCESA-N 1 2 353.806 2.183 20 5 FEBDLO O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000377442344 558341675 /nfs/dbraw/zinc/34/16/75/558341675.db2.gz WELUURTUSWMHJG-CABCVRRESA-N 1 2 371.359 2.451 20 5 FEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000408040010 558641121 /nfs/dbraw/zinc/64/11/21/558641121.db2.gz BNQKHHLMJDPQNT-OLZOCXBDSA-N 1 2 355.460 2.315 20 5 FEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000408040010 558641124 /nfs/dbraw/zinc/64/11/24/558641124.db2.gz BNQKHHLMJDPQNT-OLZOCXBDSA-N 1 2 355.460 2.315 20 5 FEBDLO Cc1cc(C)c(NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000411256520 558861975 /nfs/dbraw/zinc/86/19/75/558861975.db2.gz IRYMULUVEHCYLJ-UHFFFAOYSA-N 1 2 356.382 2.212 20 5 FEBDLO COC(=O)c1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cs1 ZINC000411888552 558983348 /nfs/dbraw/zinc/98/33/48/558983348.db2.gz ZQXVOGKNUNTPQJ-UHFFFAOYSA-N 1 2 362.411 2.160 20 5 FEBDLO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1noc(C2CC2)n1 ZINC000412080351 559010922 /nfs/dbraw/zinc/01/09/22/559010922.db2.gz VWVXWUMUODFVJK-UHFFFAOYSA-N 1 2 373.369 2.285 20 5 FEBDLO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1noc(C2CC2)n1 ZINC000412080351 559010923 /nfs/dbraw/zinc/01/09/23/559010923.db2.gz VWVXWUMUODFVJK-UHFFFAOYSA-N 1 2 373.369 2.285 20 5 FEBDLO COc1cc(N2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC2)ncn1 ZINC000413224780 559089705 /nfs/dbraw/zinc/08/97/05/559089705.db2.gz FFEPYJBSZOUQML-UHFFFAOYSA-N 1 2 366.381 2.268 20 5 FEBDLO Cc1cc(CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc(C)[nH+]1 ZINC000420856444 559507866 /nfs/dbraw/zinc/50/78/66/559507866.db2.gz YBEAPWMPMDTGDS-UHFFFAOYSA-N 1 2 358.402 2.350 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H](n2ccnn2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000425505387 559706544 /nfs/dbraw/zinc/70/65/44/559706544.db2.gz YNDPEQDVIIQSOK-GFCCVEGCSA-N 1 2 364.793 2.115 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H](n2ccnn2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000425505387 559706545 /nfs/dbraw/zinc/70/65/45/559706545.db2.gz YNDPEQDVIIQSOK-GFCCVEGCSA-N 1 2 364.793 2.115 20 5 FEBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cccc(O)c1[N+](=O)[O-] ZINC000426187289 559731342 /nfs/dbraw/zinc/73/13/42/559731342.db2.gz PWHGMNBKGOVTBC-UHFFFAOYSA-N 1 2 352.350 2.475 20 5 FEBDLO Cc1ccc([C@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)[NH+]2CCOCC2)o1 ZINC000427981960 559766967 /nfs/dbraw/zinc/76/69/67/559766967.db2.gz PYVKZTFTJODAFV-INIZCTEOSA-N 1 2 371.397 2.280 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1Cn1c2ccccc2[nH]c1=[NH+]C[C@@H](C)O ZINC000429802998 559805967 /nfs/dbraw/zinc/80/59/67/559805967.db2.gz PIAROLVUXKIXCO-GFCCVEGCSA-N 1 2 356.382 2.794 20 5 FEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433740146 559887136 /nfs/dbraw/zinc/88/71/36/559887136.db2.gz OZRJYSBEYQKKFT-UHFFFAOYSA-N 1 2 365.455 2.301 20 5 FEBDLO CC(C)c1n[nH]c(C(=O)N2CC[NH+](CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000433867058 559889081 /nfs/dbraw/zinc/88/90/81/559889081.db2.gz XYDXGRMRMIVWLE-UHFFFAOYSA-N 1 2 371.441 2.442 20 5 FEBDLO CC(C)c1[nH]nc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000433867058 559889082 /nfs/dbraw/zinc/88/90/82/559889082.db2.gz XYDXGRMRMIVWLE-UHFFFAOYSA-N 1 2 371.441 2.442 20 5 FEBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@@H+]1CCc2ccccc2C1 ZINC000436518960 559944057 /nfs/dbraw/zinc/94/40/57/559944057.db2.gz UJOQVVWRMSFLPT-CYBMUJFWSA-N 1 2 355.394 2.477 20 5 FEBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@H+]1CCc2ccccc2C1 ZINC000436518960 559944058 /nfs/dbraw/zinc/94/40/58/559944058.db2.gz UJOQVVWRMSFLPT-CYBMUJFWSA-N 1 2 355.394 2.477 20 5 FEBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000441490611 560033959 /nfs/dbraw/zinc/03/39/59/560033959.db2.gz MRAFPXDCKAYLOS-KRWDZBQOSA-N 1 2 368.397 2.162 20 5 FEBDLO Cc1n[nH]c(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1[N+](=O)[O-] ZINC000443558296 560087315 /nfs/dbraw/zinc/08/73/15/560087315.db2.gz LNZBQGQJPVUHLH-UHFFFAOYSA-N 1 2 363.805 2.068 20 5 FEBDLO Cc1n[nH]c(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1[N+](=O)[O-] ZINC000443558296 560087316 /nfs/dbraw/zinc/08/73/16/560087316.db2.gz LNZBQGQJPVUHLH-UHFFFAOYSA-N 1 2 363.805 2.068 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000447838692 560170797 /nfs/dbraw/zinc/17/07/97/560170797.db2.gz CVNKQPRUFNEKRE-SUNYJGFJSA-N 1 2 363.414 2.110 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000447838692 560170798 /nfs/dbraw/zinc/17/07/98/560170798.db2.gz CVNKQPRUFNEKRE-SUNYJGFJSA-N 1 2 363.414 2.110 20 5 FEBDLO CCOC(=O)C(C)(C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448963591 560209014 /nfs/dbraw/zinc/20/90/14/560209014.db2.gz WPXCYDDTNUASAM-UHFFFAOYSA-N 1 2 360.370 2.194 20 5 FEBDLO COC(=O)CCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448968173 560209359 /nfs/dbraw/zinc/20/93/59/560209359.db2.gz FXJCJYFIBJRZMB-UHFFFAOYSA-N 1 2 360.370 2.242 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCS[C@H]2COCC[C@H]21 ZINC000450160632 560252612 /nfs/dbraw/zinc/25/26/12/560252612.db2.gz VYYBPGOJWVAJCJ-ZBFHGGJFSA-N 1 2 374.422 2.127 20 5 FEBDLO CCc1cc(NC[C@@H]2CCOC[C@@H]2OC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450693406 560270256 /nfs/dbraw/zinc/27/02/56/560270256.db2.gz LYSHZKWGISUTQZ-YOEHRIQHSA-N 1 2 372.425 2.500 20 5 FEBDLO CCn1cc[nH+]c1[C@H](C)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000450835702 560275128 /nfs/dbraw/zinc/27/51/28/560275128.db2.gz XQQUAWIBVVHRKZ-NSHDSACASA-N 1 2 367.431 2.235 20 5 FEBDLO COC(=O)CC1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCC1 ZINC000451538045 560313182 /nfs/dbraw/zinc/31/31/82/560313182.db2.gz UYSOMBMICSOVSL-UHFFFAOYSA-N 1 2 372.381 2.386 20 5 FEBDLO COc1cc(S(=O)(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)ccc1[N+](=O)[O-] ZINC000451549594 560314025 /nfs/dbraw/zinc/31/40/25/560314025.db2.gz POHXSAJJOHHIGD-ZDUSSCGKSA-N 1 2 354.388 2.002 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCOC[C@H]1CC(F)F ZINC000451720028 560324448 /nfs/dbraw/zinc/32/44/48/560324448.db2.gz UDFWZYUGDCENSW-GFCCVEGCSA-N 1 2 366.324 2.277 20 5 FEBDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000451936566 560339090 /nfs/dbraw/zinc/33/90/90/560339090.db2.gz YGUPIBYSRFIYEO-GFCCVEGCSA-N 1 2 352.416 2.468 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1C ZINC000451948065 560340073 /nfs/dbraw/zinc/34/00/73/560340073.db2.gz SCDBLZVRZVCRJN-GXFFZTMASA-N 1 2 350.400 2.392 20 5 FEBDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000451963847 560340948 /nfs/dbraw/zinc/34/09/48/560340948.db2.gz AKDYSDQAJJVNFJ-CQSZACIVSA-N 1 2 355.460 2.316 20 5 FEBDLO CNc1nc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000454893790 560462549 /nfs/dbraw/zinc/46/25/49/560462549.db2.gz RUNYYPGNGRRSLK-UHFFFAOYSA-N 1 2 371.397 2.116 20 5 FEBDLO Cc1cc(C)c(CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c[nH+]1 ZINC000455569690 560487482 /nfs/dbraw/zinc/48/74/82/560487482.db2.gz LGWZAMREDOJUNU-UHFFFAOYSA-N 1 2 358.402 2.350 20 5 FEBDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(C)(C)CO ZINC000459516845 560691418 /nfs/dbraw/zinc/69/14/18/560691418.db2.gz DRXKYOLKZOULQM-ZDUSSCGKSA-N 1 2 365.365 2.349 20 5 FEBDLO CCOc1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)ccc1O ZINC000459557361 560693972 /nfs/dbraw/zinc/69/39/72/560693972.db2.gz CNGKJKBDPNVPHU-UHFFFAOYSA-N 1 2 358.398 2.416 20 5 FEBDLO CCOC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000459721935 560704609 /nfs/dbraw/zinc/70/46/09/560704609.db2.gz UFZNDURPVQELQC-CQSZACIVSA-N 1 2 351.403 2.433 20 5 FEBDLO CCOC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000459721935 560704610 /nfs/dbraw/zinc/70/46/10/560704610.db2.gz UFZNDURPVQELQC-CQSZACIVSA-N 1 2 351.403 2.433 20 5 FEBDLO COc1ccc(OCC[N@@H+]2CCC[C@H]2C(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000533515161 562511324 /nfs/dbraw/zinc/51/13/24/562511324.db2.gz VVKPKXOUQJSHNV-AWEZNQCLSA-N 1 2 352.387 2.398 20 5 FEBDLO COc1ccc(OCC[N@H+]2CCC[C@H]2C(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000533515161 562511325 /nfs/dbraw/zinc/51/13/25/562511325.db2.gz VVKPKXOUQJSHNV-AWEZNQCLSA-N 1 2 352.387 2.398 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000533821095 562519077 /nfs/dbraw/zinc/51/90/77/562519077.db2.gz XEHCAAXOJMGFDW-MRXNPFEDSA-N 1 2 361.423 2.368 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000533821095 562519078 /nfs/dbraw/zinc/51/90/78/562519078.db2.gz XEHCAAXOJMGFDW-MRXNPFEDSA-N 1 2 361.423 2.368 20 5 FEBDLO CN(C)c1ccc(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c[nH+]1 ZINC000534518865 562535722 /nfs/dbraw/zinc/53/57/22/562535722.db2.gz GXMAASNVYNYBDK-UHFFFAOYSA-N 1 2 355.398 2.324 20 5 FEBDLO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000535572553 562561764 /nfs/dbraw/zinc/56/17/64/562561764.db2.gz GXZJCFRLDLWSKU-DOMZBBRYSA-N 1 2 363.805 2.455 20 5 FEBDLO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000535572553 562561765 /nfs/dbraw/zinc/56/17/65/562561765.db2.gz GXZJCFRLDLWSKU-DOMZBBRYSA-N 1 2 363.805 2.455 20 5 FEBDLO Cc1nc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c2c([nH+]1)CCCC2 ZINC000541090908 562602835 /nfs/dbraw/zinc/60/28/35/562602835.db2.gz WMBCPNJOBQANBF-UHFFFAOYSA-N 1 2 354.414 2.294 20 5 FEBDLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000542000349 562625318 /nfs/dbraw/zinc/62/53/18/562625318.db2.gz QIWCNHXWFBAZGW-CYBMUJFWSA-N 1 2 361.851 2.152 20 5 FEBDLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000542000349 562625319 /nfs/dbraw/zinc/62/53/19/562625319.db2.gz QIWCNHXWFBAZGW-CYBMUJFWSA-N 1 2 361.851 2.152 20 5 FEBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000808767071 674471607 /nfs/dbraw/zinc/47/16/07/674471607.db2.gz PFYIKHOJVBWROO-LBPRGKRZSA-N 1 2 371.434 2.028 20 5 FEBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000808767071 674471609 /nfs/dbraw/zinc/47/16/09/674471609.db2.gz PFYIKHOJVBWROO-LBPRGKRZSA-N 1 2 371.434 2.028 20 5 FEBDLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000826181548 607511829 /nfs/dbraw/zinc/51/18/29/607511829.db2.gz DDOVWSAALKCTCA-UHFFFAOYSA-N 1 2 354.370 2.416 20 5 FEBDLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000826181548 607511831 /nfs/dbraw/zinc/51/18/31/607511831.db2.gz DDOVWSAALKCTCA-UHFFFAOYSA-N 1 2 354.370 2.416 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000815083489 674914489 /nfs/dbraw/zinc/91/44/89/674914489.db2.gz PGGJJCOMEKXYGU-PHIMTYICSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000815083489 674914490 /nfs/dbraw/zinc/91/44/90/674914490.db2.gz PGGJJCOMEKXYGU-PHIMTYICSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000564389098 675007042 /nfs/dbraw/zinc/00/70/42/675007042.db2.gz DIGQSYTTYLDKKA-ZDUSSCGKSA-N 1 2 364.427 2.123 20 5 FEBDLO CS(=O)(=O)c1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000609132914 675911116 /nfs/dbraw/zinc/91/11/16/675911116.db2.gz UHKKMEJVWXYLHG-GFCCVEGCSA-N 1 2 350.400 2.036 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609134711 675911394 /nfs/dbraw/zinc/91/13/94/675911394.db2.gz KIPDVKVLEYTXNZ-HNNXBMFYSA-N 1 2 364.427 2.380 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000609495095 675923577 /nfs/dbraw/zinc/92/35/77/675923577.db2.gz RGHOLKBMUMBEPX-INIZCTEOSA-N 1 2 353.444 2.223 20 5 FEBDLO O=[N+]([O-])c1nn(CN2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1Br ZINC000121020905 671940892 /nfs/dbraw/zinc/94/08/92/671940892.db2.gz TUGLTVRGEJFJGF-LLVKDONJSA-N 1 2 368.191 2.060 20 5 FEBDLO CCc1ccc(S(=O)(=O)N(CCOC)c2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000583869328 672134167 /nfs/dbraw/zinc/13/41/67/672134167.db2.gz IGZZYZILGULYBD-UHFFFAOYSA-N 1 2 365.411 2.394 20 5 FEBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000587061522 672440268 /nfs/dbraw/zinc/44/02/68/672440268.db2.gz FYYMIJDNTYRJHI-LLVKDONJSA-N 1 2 365.187 2.299 20 5 FEBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000192681276 672698102 /nfs/dbraw/zinc/69/81/02/672698102.db2.gz MJFJBYKLKGVASV-OAHLLOKOSA-N 1 2 365.411 2.303 20 5 FEBDLO COc1ccc(OCC[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000592130645 672762263 /nfs/dbraw/zinc/76/22/63/672762263.db2.gz JJCZFFIVUXGALU-LBPRGKRZSA-N 1 2 357.357 2.007 20 5 FEBDLO COc1ccc(OCC[N@H+]2CCN3CC(F)(F)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000592130645 672762265 /nfs/dbraw/zinc/76/22/65/672762265.db2.gz JJCZFFIVUXGALU-LBPRGKRZSA-N 1 2 357.357 2.007 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594485308 673089105 /nfs/dbraw/zinc/08/91/05/673089105.db2.gz ZSOHODIRYQIUJG-CHWSQXEVSA-N 1 2 357.407 2.029 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594485308 673089109 /nfs/dbraw/zinc/08/91/09/673089109.db2.gz ZSOHODIRYQIUJG-CHWSQXEVSA-N 1 2 357.407 2.029 20 5 FEBDLO CC(C)(C)[N@@H+]1CC[C@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594793913 673145250 /nfs/dbraw/zinc/14/52/50/673145250.db2.gz WILQKPHUMSQQEJ-JTQLQIEISA-N 1 2 361.851 2.399 20 5 FEBDLO CC(C)(C)[N@H+]1CC[C@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594793913 673145254 /nfs/dbraw/zinc/14/52/54/673145254.db2.gz WILQKPHUMSQQEJ-JTQLQIEISA-N 1 2 361.851 2.399 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595782393 673324775 /nfs/dbraw/zinc/32/47/75/673324775.db2.gz ZETOERMOGCEXIW-AGIUHOORSA-N 1 2 351.403 2.430 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595782393 673324777 /nfs/dbraw/zinc/32/47/77/673324777.db2.gz ZETOERMOGCEXIW-AGIUHOORSA-N 1 2 351.403 2.430 20 5 FEBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCC3(COC3)C2)c1 ZINC000595833455 673329127 /nfs/dbraw/zinc/32/91/27/673329127.db2.gz JRIZHDSMYZTDLB-UHFFFAOYSA-N 1 2 374.178 2.422 20 5 FEBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCC3(COC3)C2)c1 ZINC000595833455 673329131 /nfs/dbraw/zinc/32/91/31/673329131.db2.gz JRIZHDSMYZTDLB-UHFFFAOYSA-N 1 2 374.178 2.422 20 5 FEBDLO C[C@H](NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[C@H](C)[NH+]1CCOCC1 ZINC000597095003 673446868 /nfs/dbraw/zinc/44/68/68/673446868.db2.gz NFRYWBISWNIJEV-UWVGGRQHSA-N 1 2 371.825 2.061 20 5 FEBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597709382 673501215 /nfs/dbraw/zinc/50/12/15/673501215.db2.gz IRSVWNAHBYTIAQ-AWEZNQCLSA-N 1 2 353.806 2.185 20 5 FEBDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000539841069 673508911 /nfs/dbraw/zinc/50/89/11/673508911.db2.gz OBTFJWXLNRXIDZ-CQSZACIVSA-N 1 2 355.460 2.232 20 5 FEBDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000539841069 673508914 /nfs/dbraw/zinc/50/89/14/673508914.db2.gz OBTFJWXLNRXIDZ-CQSZACIVSA-N 1 2 355.460 2.232 20 5 FEBDLO Cc1ccc(S(=O)(=O)N(C)CCCn2cc[nH+]c2)c(C)c1[N+](=O)[O-] ZINC000598608281 673589507 /nfs/dbraw/zinc/58/95/07/673589507.db2.gz VGXHXWRSDPYEOA-UHFFFAOYSA-N 1 2 352.416 2.119 20 5 FEBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000598946289 673624334 /nfs/dbraw/zinc/62/43/34/673624334.db2.gz FVNFXAAAVXXMJC-NSHDSACASA-N 1 2 365.187 2.299 20 5 FEBDLO O=[N+]([O-])c1cc(Br)cnc1NC1CC([NH+]2CCOCC2)C1 ZINC000599094795 673632697 /nfs/dbraw/zinc/63/26/97/673632697.db2.gz NSORYSQBHYHCRJ-UHFFFAOYSA-N 1 2 357.208 2.027 20 5 FEBDLO C[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000741144946 673672827 /nfs/dbraw/zinc/67/28/27/673672827.db2.gz HHSHFMQEFQBXQL-GWCFXTLKSA-N 1 2 353.350 2.088 20 5 FEBDLO C[C@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000741144946 673672828 /nfs/dbraw/zinc/67/28/28/673672828.db2.gz HHSHFMQEFQBXQL-GWCFXTLKSA-N 1 2 353.350 2.088 20 5 FEBDLO CSc1cccc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000614456129 676175905 /nfs/dbraw/zinc/17/59/05/676175905.db2.gz BHRBEYKLPZWKMR-CYBMUJFWSA-N 1 2 365.455 2.254 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)c3cccc(Cl)c3)CC2)cn1 ZINC000743261691 673753974 /nfs/dbraw/zinc/75/39/74/673753974.db2.gz NVNDGQDSWQYQGS-MRXNPFEDSA-N 1 2 362.817 2.499 20 5 FEBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[NH+](Cc2ccco2)CC1 ZINC000601101637 673826190 /nfs/dbraw/zinc/82/61/90/673826190.db2.gz UUKAPXYOGPZTOW-UHFFFAOYSA-N 1 2 359.308 2.262 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000821020430 675407440 /nfs/dbraw/zinc/40/74/40/675407440.db2.gz FHUNTIRLENHKSJ-AWEZNQCLSA-N 1 2 365.455 2.254 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000824948493 675630430 /nfs/dbraw/zinc/63/04/30/675630430.db2.gz GIYWOUGDHXUKCA-RYUDHWBXSA-N 1 2 353.444 2.156 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000824948493 675630431 /nfs/dbraw/zinc/63/04/31/675630431.db2.gz GIYWOUGDHXUKCA-RYUDHWBXSA-N 1 2 353.444 2.156 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCO[C@H]1C(F)(F)F ZINC000912080843 685311321 /nfs/dbraw/zinc/31/13/21/685311321.db2.gz MBCIMUZHSYRMHB-ZDUSSCGKSA-N 1 2 356.260 2.141 20 5 FEBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC001005383041 680573669 /nfs/dbraw/zinc/57/36/69/680573669.db2.gz TXMLEOKFALIXGX-GDBMZVCRSA-N 1 2 367.833 2.134 20 5 FEBDLO C[C@H](c1nccs1)N1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000767000151 680896235 /nfs/dbraw/zinc/89/62/35/680896235.db2.gz AOTCPCMOMABTLM-CZUORRHYSA-N 1 2 362.455 2.464 20 5 FEBDLO NC(=O)c1sccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000768886464 680963489 /nfs/dbraw/zinc/96/34/89/680963489.db2.gz MNBUVBZUGNUHOM-UHFFFAOYSA-N 1 2 357.351 2.193 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000770717343 681025402 /nfs/dbraw/zinc/02/54/02/681025402.db2.gz QKMZHWADWGIAJK-QWRGUYRKSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000770717343 681025404 /nfs/dbraw/zinc/02/54/04/681025404.db2.gz QKMZHWADWGIAJK-QWRGUYRKSA-N 1 2 361.851 2.270 20 5 FEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000771785689 681069884 /nfs/dbraw/zinc/06/98/84/681069884.db2.gz TZSQDJOCPZTKLI-RYUDHWBXSA-N 1 2 359.423 2.146 20 5 FEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000771785689 681069885 /nfs/dbraw/zinc/06/98/85/681069885.db2.gz TZSQDJOCPZTKLI-RYUDHWBXSA-N 1 2 359.423 2.146 20 5 FEBDLO O=C(NCc1ccc2c(c1)C[N@@H+](CCC(F)(F)F)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001054264482 681106764 /nfs/dbraw/zinc/10/67/64/681106764.db2.gz GFYKCVUQHDTECD-ZIAGYGMSSA-N 1 2 357.332 2.236 20 5 FEBDLO O=C(NCc1ccc2c(c1)C[N@H+](CCC(F)(F)F)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001054264482 681106765 /nfs/dbraw/zinc/10/67/65/681106765.db2.gz GFYKCVUQHDTECD-ZIAGYGMSSA-N 1 2 357.332 2.236 20 5 FEBDLO COC(=O)C1([C@@]2(O)CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)CCC1 ZINC000933841264 681473802 /nfs/dbraw/zinc/47/38/02/681473802.db2.gz JQQBMMDSJYYVHU-MRXNPFEDSA-N 1 2 354.428 2.327 20 5 FEBDLO COC(=O)C1([C@@]2(O)CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)CCC1 ZINC000933841264 681473803 /nfs/dbraw/zinc/47/38/03/681473803.db2.gz JQQBMMDSJYYVHU-MRXNPFEDSA-N 1 2 354.428 2.327 20 5 FEBDLO Cc1cc(Cl)c(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000854249439 682529610 /nfs/dbraw/zinc/52/96/10/682529610.db2.gz CKWCRPATAQZARB-CYBMUJFWSA-N 1 2 367.833 2.493 20 5 FEBDLO COc1cc([N+](=O)[O-])c(C(=O)OCCc2c[nH+]cn2C)cc1SC ZINC000793252857 682875474 /nfs/dbraw/zinc/87/54/74/682875474.db2.gz ULWLNHOATYTPEI-UHFFFAOYSA-N 1 2 351.384 2.458 20 5 FEBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861395033 683403993 /nfs/dbraw/zinc/40/39/93/683403993.db2.gz CNRLJKXLFNKJFP-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861395033 683403995 /nfs/dbraw/zinc/40/39/95/683403995.db2.gz CNRLJKXLFNKJFP-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000921419370 683463424 /nfs/dbraw/zinc/46/34/24/683463424.db2.gz BCNHQWOMGXGERM-ZDUSSCGKSA-N 1 2 370.837 2.158 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925245550 684543681 /nfs/dbraw/zinc/54/36/81/684543681.db2.gz GHTYSUQMYYGUTK-BFHYXJOUSA-N 1 2 350.419 2.064 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925245550 684543684 /nfs/dbraw/zinc/54/36/84/684543684.db2.gz GHTYSUQMYYGUTK-BFHYXJOUSA-N 1 2 350.419 2.064 20 5 FEBDLO C[C@@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000872902125 685031315 /nfs/dbraw/zinc/03/13/15/685031315.db2.gz LHNZTVNMNLXDMH-MJBXVCDLSA-N 1 2 350.419 2.064 20 5 FEBDLO CONC(=O)C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000879925477 686948011 /nfs/dbraw/zinc/94/80/11/686948011.db2.gz CHMGPFGUVCIYEM-UHFFFAOYSA-N 1 2 372.219 2.247 20 5 FEBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC001164918970 721812568 /nfs/dbraw/zinc/81/25/68/721812568.db2.gz VMJQTTURYCVXJC-UHFFFAOYSA-N 1 2 356.430 2.244 20 5 FEBDLO Cc1nc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c4nonc43)CC2)cs1 ZINC000011606689 539531085 /nfs/dbraw/zinc/53/10/85/539531085.db2.gz PVBVSWPGKNYMFO-UHFFFAOYSA-N 1 2 360.399 2.218 20 5 FEBDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])s1 ZINC000018214041 539647744 /nfs/dbraw/zinc/64/77/44/539647744.db2.gz ODYYENIDMGWDEF-UHFFFAOYSA-N 1 2 361.423 2.419 20 5 FEBDLO C[C@@H]1CN(c2ccc(CNC(=O)Cc3ccccc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000046715797 540267934 /nfs/dbraw/zinc/26/79/34/540267934.db2.gz UGPCXUCYDIWSIT-CQSZACIVSA-N 1 2 370.409 2.074 20 5 FEBDLO Cc1nn(C)c(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000052219353 540458916 /nfs/dbraw/zinc/45/89/16/540458916.db2.gz XJJQLBWMFJXJIO-TXEJJXNPSA-N 1 2 360.418 2.257 20 5 FEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000053808019 540555702 /nfs/dbraw/zinc/55/57/02/540555702.db2.gz WPKUGLIHVSNKSR-LBPRGKRZSA-N 1 2 354.370 2.010 20 5 FEBDLO Cc1noc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000054677645 540602221 /nfs/dbraw/zinc/60/22/21/540602221.db2.gz OCPTYGCEFOYYIL-WCQYABFASA-N 1 2 359.386 2.493 20 5 FEBDLO Cc1noc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000054677645 540602224 /nfs/dbraw/zinc/60/22/24/540602224.db2.gz OCPTYGCEFOYYIL-WCQYABFASA-N 1 2 359.386 2.493 20 5 FEBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000057290921 540786324 /nfs/dbraw/zinc/78/63/24/540786324.db2.gz MWHSLEKCTRUDJP-ZZXKWVIFSA-N 1 2 352.394 2.347 20 5 FEBDLO CCn1c(Cn2cc([N+](=O)[O-])cc(C(=O)OC)c2=O)[nH+]c2cc(F)ccc21 ZINC000066256581 541295403 /nfs/dbraw/zinc/29/54/03/541295403.db2.gz DZKCDJXACZFZOM-UHFFFAOYSA-N 1 2 374.328 2.100 20 5 FEBDLO CCN(CC)C(=O)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000072557823 541831803 /nfs/dbraw/zinc/83/18/03/541831803.db2.gz ZTJBYNQXLOPZSH-ZDUSSCGKSA-N 1 2 350.419 2.030 20 5 FEBDLO CCN(CC)C(=O)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000072557823 541831804 /nfs/dbraw/zinc/83/18/04/541831804.db2.gz ZTJBYNQXLOPZSH-ZDUSSCGKSA-N 1 2 350.419 2.030 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000077170939 542351052 /nfs/dbraw/zinc/35/10/52/542351052.db2.gz PVYGBJVVVUMIPS-CYBMUJFWSA-N 1 2 358.354 2.427 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000077170939 542351054 /nfs/dbraw/zinc/35/10/54/542351054.db2.gz PVYGBJVVVUMIPS-CYBMUJFWSA-N 1 2 358.354 2.427 20 5 FEBDLO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000077277207 542360648 /nfs/dbraw/zinc/36/06/48/542360648.db2.gz WPFIAHOZPVXJPI-UHFFFAOYSA-N 1 2 356.382 2.090 20 5 FEBDLO Cc1cc(N2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000071951381 132303126 /nfs/dbraw/zinc/30/31/26/132303126.db2.gz MWHRLDQRNSQVOL-GOSISDBHSA-N 1 2 354.410 2.252 20 5 FEBDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092585324 542872649 /nfs/dbraw/zinc/87/26/49/542872649.db2.gz OZRKDPVDCQSEQJ-LLVKDONJSA-N 1 2 365.411 2.141 20 5 FEBDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092585324 542872651 /nfs/dbraw/zinc/87/26/51/542872651.db2.gz OZRKDPVDCQSEQJ-LLVKDONJSA-N 1 2 365.411 2.141 20 5 FEBDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC000101654362 543040093 /nfs/dbraw/zinc/04/00/93/543040093.db2.gz DRMRNMWWSKQZSQ-UHFFFAOYSA-N 1 2 372.385 2.186 20 5 FEBDLO CC(C)(C)[S@](=O)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000112300984 543440378 /nfs/dbraw/zinc/44/03/78/543440378.db2.gz JAJPZXXEROSSGN-VWLOTQADSA-N 1 2 364.427 2.058 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000116046943 543596647 /nfs/dbraw/zinc/59/66/47/543596647.db2.gz MAFOHXDPZLKPNO-UHFFFAOYSA-N 1 2 370.369 2.014 20 5 FEBDLO COC(=O)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000118653355 543654831 /nfs/dbraw/zinc/65/48/31/543654831.db2.gz XJIHGHZBLGMUKH-CQSZACIVSA-N 1 2 360.370 2.098 20 5 FEBDLO C[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000123716968 543779299 /nfs/dbraw/zinc/77/92/99/543779299.db2.gz WJNQTBQDVFJWSW-NEPJUHHUSA-N 1 2 359.423 2.133 20 5 FEBDLO C[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000123716968 543779300 /nfs/dbraw/zinc/77/93/00/543779300.db2.gz WJNQTBQDVFJWSW-NEPJUHHUSA-N 1 2 359.423 2.133 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000133842574 544285376 /nfs/dbraw/zinc/28/53/76/544285376.db2.gz QSTKHWILTLPZGQ-KRWDZBQOSA-N 1 2 371.393 2.134 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000133842574 544285378 /nfs/dbraw/zinc/28/53/78/544285378.db2.gz QSTKHWILTLPZGQ-KRWDZBQOSA-N 1 2 371.393 2.134 20 5 FEBDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000134364759 544305194 /nfs/dbraw/zinc/30/51/94/544305194.db2.gz HZFZXRKLIHPOIN-ZDUSSCGKSA-N 1 2 361.851 2.150 20 5 FEBDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000134364759 544305196 /nfs/dbraw/zinc/30/51/96/544305196.db2.gz HZFZXRKLIHPOIN-ZDUSSCGKSA-N 1 2 361.851 2.150 20 5 FEBDLO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NC(=O)NCc1ccco1 ZINC000135233417 544338912 /nfs/dbraw/zinc/33/89/12/544338912.db2.gz CMCSUWSBOJEHEX-UHFFFAOYSA-N 1 2 372.381 2.178 20 5 FEBDLO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NC(=O)NCc1ccco1 ZINC000135233417 544338914 /nfs/dbraw/zinc/33/89/14/544338914.db2.gz CMCSUWSBOJEHEX-UHFFFAOYSA-N 1 2 372.381 2.178 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)n1 ZINC000140996446 544410832 /nfs/dbraw/zinc/41/08/32/544410832.db2.gz RXTKYJMGOXZAOE-UHFFFAOYSA-N 1 2 357.414 2.078 20 5 FEBDLO O=C(c1cccc(F)c1)N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136919386 544380966 /nfs/dbraw/zinc/38/09/66/544380966.db2.gz YBLCQJDNLARFEI-SFHVURJKSA-N 1 2 373.384 2.225 20 5 FEBDLO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCS(C)(=O)=O ZINC000154432680 544906276 /nfs/dbraw/zinc/90/62/76/544906276.db2.gz IVHZPEGIYZCQHD-UHFFFAOYSA-N 1 2 367.427 2.159 20 5 FEBDLO CC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCS(C)(=O)=O ZINC000154432680 544906281 /nfs/dbraw/zinc/90/62/81/544906281.db2.gz IVHZPEGIYZCQHD-UHFFFAOYSA-N 1 2 367.427 2.159 20 5 FEBDLO Cc1noc(C)c1C[NH+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154498782 544913590 /nfs/dbraw/zinc/91/35/90/544913590.db2.gz SQLQSGXJPSHNHA-SFHVURJKSA-N 1 2 360.414 2.051 20 5 FEBDLO Cc1noc(C)c1CN1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154498782 544913594 /nfs/dbraw/zinc/91/35/94/544913594.db2.gz SQLQSGXJPSHNHA-SFHVURJKSA-N 1 2 360.414 2.051 20 5 FEBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000179540736 327648754 /nfs/dbraw/zinc/64/87/54/327648754.db2.gz WJFBYGNTCGHXEL-AWEZNQCLSA-N 1 2 365.393 2.409 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)Cn1c2ccccc2[nH+]c1CCCO ZINC000182211960 327765927 /nfs/dbraw/zinc/76/59/27/327765927.db2.gz ZLGRJQFKPRJOJS-CQSZACIVSA-N 1 2 371.393 2.309 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187079854 328001053 /nfs/dbraw/zinc/00/10/53/328001053.db2.gz WNSBYQPDWRUGJH-UHFFFAOYSA-N 1 2 362.430 2.032 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187079854 328001055 /nfs/dbraw/zinc/00/10/55/328001055.db2.gz WNSBYQPDWRUGJH-UHFFFAOYSA-N 1 2 362.430 2.032 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000192611412 328328355 /nfs/dbraw/zinc/32/83/55/328328355.db2.gz SGJDXHICJHGFAL-UHFFFAOYSA-N 1 2 356.382 2.065 20 5 FEBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1 ZINC000193244924 328364804 /nfs/dbraw/zinc/36/48/04/328364804.db2.gz TZSOQPUWUUMAAV-TXEJJXNPSA-N 1 2 355.822 2.429 20 5 FEBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1 ZINC000193244924 328364805 /nfs/dbraw/zinc/36/48/05/328364805.db2.gz TZSOQPUWUUMAAV-TXEJJXNPSA-N 1 2 355.822 2.429 20 5 FEBDLO CC(C)C(=O)NC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000107699945 325633320 /nfs/dbraw/zinc/63/33/20/325633320.db2.gz IGQOWZVBEZEDIF-UHFFFAOYSA-N 1 2 373.413 2.381 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)c1 ZINC000115859047 325982188 /nfs/dbraw/zinc/98/21/88/325982188.db2.gz BKGOTKPXBRLLFO-AWEZNQCLSA-N 1 2 365.430 2.080 20 5 FEBDLO O=C(C[NH+]1CCC(CN2CCCCC2=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000118851668 326108389 /nfs/dbraw/zinc/10/83/89/326108389.db2.gz LTTMZEVNNOEETC-UHFFFAOYSA-N 1 2 374.441 2.258 20 5 FEBDLO Cc1cc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)cc([N+](=O)[O-])c1 ZINC000121958679 326378313 /nfs/dbraw/zinc/37/83/13/326378313.db2.gz CUXLLMVULCZXDJ-UHFFFAOYSA-N 1 2 356.382 2.065 20 5 FEBDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000125590227 326474321 /nfs/dbraw/zinc/47/43/21/326474321.db2.gz NNKFILSEZYXHML-UHFFFAOYSA-N 1 2 357.413 2.201 20 5 FEBDLO Cc1nc(CN2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)oc1C ZINC000137038148 326657501 /nfs/dbraw/zinc/65/75/01/326657501.db2.gz YNWMICLVLRLDIF-QGZVFWFLSA-N 1 2 360.414 2.051 20 5 FEBDLO O=C(C[NH+]1CCC(N2CCCCC2=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000153220650 326727374 /nfs/dbraw/zinc/72/73/74/326727374.db2.gz BPDKMOQHBKLXTP-UHFFFAOYSA-N 1 2 360.414 2.010 20 5 FEBDLO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3ccc(F)cc3Cl)CC2)n1 ZINC000153491400 326734280 /nfs/dbraw/zinc/73/42/80/326734280.db2.gz SLVBHWPLGGSPAR-UHFFFAOYSA-N 1 2 353.785 2.406 20 5 FEBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155626073 326796852 /nfs/dbraw/zinc/79/68/52/326796852.db2.gz UOJQRGJMAUYMEB-UHFFFAOYSA-N 1 2 356.382 2.316 20 5 FEBDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)S1 ZINC000173074610 327233769 /nfs/dbraw/zinc/23/37/69/327233769.db2.gz HOGMAZWPIPBCNL-JTQLQIEISA-N 1 2 368.846 2.497 20 5 FEBDLO CSc1ccc(C(=O)N2CC[NH+](CCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000173640806 327273110 /nfs/dbraw/zinc/27/31/10/327273110.db2.gz MEWJMFQLQJYXBC-UHFFFAOYSA-N 1 2 367.471 2.500 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCc1ccc[nH+]c1N(C)C ZINC000175077264 327372618 /nfs/dbraw/zinc/37/26/18/327372618.db2.gz JRVDWXMFTKFMQP-UHFFFAOYSA-N 1 2 364.427 2.151 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175207539 327379981 /nfs/dbraw/zinc/37/99/81/327379981.db2.gz NPSMZXKUPQQKSM-GHMZBOCLSA-N 1 2 368.821 2.163 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175207539 327379982 /nfs/dbraw/zinc/37/99/82/327379982.db2.gz NPSMZXKUPQQKSM-GHMZBOCLSA-N 1 2 368.821 2.163 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000265606772 329142536 /nfs/dbraw/zinc/14/25/36/329142536.db2.gz KJJUSVLADZMPIJ-ORPWPGRKSA-N 1 2 353.444 2.073 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000265606772 329142537 /nfs/dbraw/zinc/14/25/37/329142537.db2.gz KJJUSVLADZMPIJ-ORPWPGRKSA-N 1 2 353.444 2.073 20 5 FEBDLO O=[N+]([O-])c1ccccc1CCNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000266231385 329203003 /nfs/dbraw/zinc/20/30/03/329203003.db2.gz JQTOZXREILYFRN-CQSZACIVSA-N 1 2 357.414 2.248 20 5 FEBDLO O=[N+]([O-])c1ccccc1CCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000266231385 329203005 /nfs/dbraw/zinc/20/30/05/329203005.db2.gz JQTOZXREILYFRN-CQSZACIVSA-N 1 2 357.414 2.248 20 5 FEBDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000267324201 329315017 /nfs/dbraw/zinc/31/50/17/329315017.db2.gz APCNINPAQVDNCQ-ZDUSSCGKSA-N 1 2 361.402 2.398 20 5 FEBDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000267324201 329315018 /nfs/dbraw/zinc/31/50/18/329315018.db2.gz APCNINPAQVDNCQ-ZDUSSCGKSA-N 1 2 361.402 2.398 20 5 FEBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000269213020 329497026 /nfs/dbraw/zinc/49/70/26/329497026.db2.gz WTWLJTDPNRIENV-CYBMUJFWSA-N 1 2 356.382 2.214 20 5 FEBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000270352772 329593302 /nfs/dbraw/zinc/59/33/02/329593302.db2.gz ACVKJSMLYNVMGH-UHFFFAOYSA-N 1 2 369.425 2.060 20 5 FEBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272711755 329807028 /nfs/dbraw/zinc/80/70/28/329807028.db2.gz XWCMTMKNPXHRJE-UHFFFAOYSA-N 1 2 358.354 2.093 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275382995 330042134 /nfs/dbraw/zinc/04/21/34/330042134.db2.gz BFNXCMPJFXVNBQ-NHYWBVRUSA-N 1 2 351.403 2.023 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275382995 330042137 /nfs/dbraw/zinc/04/21/37/330042137.db2.gz BFNXCMPJFXVNBQ-NHYWBVRUSA-N 1 2 351.403 2.023 20 5 FEBDLO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccco1 ZINC000276106913 330119851 /nfs/dbraw/zinc/11/98/51/330119851.db2.gz UVQYVFOUMFIKRC-CYBMUJFWSA-N 1 2 353.400 2.306 20 5 FEBDLO Cc1sc(C(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)cc1[N+](=O)[O-] ZINC000276247306 330133296 /nfs/dbraw/zinc/13/32/96/330133296.db2.gz LBXAIMOTXHRLDM-GWCFXTLKSA-N 1 2 350.400 2.348 20 5 FEBDLO CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C[NH+]1CCOCC1 ZINC000414051188 330257909 /nfs/dbraw/zinc/25/79/09/330257909.db2.gz MDSCWDBKEKKAFU-UHFFFAOYSA-N 1 2 355.822 2.431 20 5 FEBDLO O=C(CCSc1ccc([N+](=O)[O-])cn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000160179655 546014646 /nfs/dbraw/zinc/01/46/46/546014646.db2.gz UFEBDHVGJCMJAG-UHFFFAOYSA-N 1 2 373.438 2.216 20 5 FEBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+]([C@@H]3C=CCCC3)CC2)c1 ZINC000171278315 546201026 /nfs/dbraw/zinc/20/10/26/546201026.db2.gz GKCQQAUUJPXUQA-CQSZACIVSA-N 1 2 351.428 2.010 20 5 FEBDLO CC1(C)COCC[N@@H+]1CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000177824878 546692123 /nfs/dbraw/zinc/69/21/23/546692123.db2.gz OKCWCTVWNCNAHY-UHFFFAOYSA-N 1 2 359.224 2.275 20 5 FEBDLO CC1(C)COCC[N@H+]1CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000177824878 546692124 /nfs/dbraw/zinc/69/21/24/546692124.db2.gz OKCWCTVWNCNAHY-UHFFFAOYSA-N 1 2 359.224 2.275 20 5 FEBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3N)c2)CC1 ZINC000178178541 546752631 /nfs/dbraw/zinc/75/26/31/546752631.db2.gz CYKZLKNPZRIORM-UHFFFAOYSA-N 1 2 369.425 2.177 20 5 FEBDLO COc1ccc(CSCC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000481384110 561231787 /nfs/dbraw/zinc/23/17/87/561231787.db2.gz VCNVEWXENQWWFD-LBPRGKRZSA-N 1 2 364.427 2.238 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178402858 546787666 /nfs/dbraw/zinc/78/76/66/546787666.db2.gz VHOPLLLPLPVTAM-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000178949136 546878833 /nfs/dbraw/zinc/87/88/33/546878833.db2.gz JRJXSSRJQXQOIQ-UHFFFAOYSA-N 1 2 364.427 2.001 20 5 FEBDLO O=C(N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178955015 546880182 /nfs/dbraw/zinc/88/01/82/546880182.db2.gz BCSFBTQYTKLMRD-JQFCIGGWSA-N 1 2 368.393 2.468 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000483051439 561266076 /nfs/dbraw/zinc/26/60/76/561266076.db2.gz MNGOZHDCLSKNNQ-OAHLLOKOSA-N 1 2 363.414 2.112 20 5 FEBDLO Cn1c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nnc1C1CCC1 ZINC000181465461 547319841 /nfs/dbraw/zinc/31/98/41/547319841.db2.gz XHAHFIXLUKBBCG-ZDUSSCGKSA-N 1 2 357.418 2.072 20 5 FEBDLO Cn1c(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nnc1C1CCC1 ZINC000181465461 547319846 /nfs/dbraw/zinc/31/98/46/547319846.db2.gz XHAHFIXLUKBBCG-ZDUSSCGKSA-N 1 2 357.418 2.072 20 5 FEBDLO CCc1cnc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000181942372 547409582 /nfs/dbraw/zinc/40/95/82/547409582.db2.gz AVNATMZQOXWTGK-GFCCVEGCSA-N 1 2 351.428 2.485 20 5 FEBDLO CCc1cnc(C[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000181942372 547409583 /nfs/dbraw/zinc/40/95/83/547409583.db2.gz AVNATMZQOXWTGK-GFCCVEGCSA-N 1 2 351.428 2.485 20 5 FEBDLO CC(C)(C)OC(=O)CNC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000182039079 547426497 /nfs/dbraw/zinc/42/64/97/547426497.db2.gz FBWSCWJLXZSUMH-UHFFFAOYSA-N 1 2 363.414 2.017 20 5 FEBDLO CC(C)(C)OC(=O)CNC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000182039079 547426502 /nfs/dbraw/zinc/42/65/02/547426502.db2.gz FBWSCWJLXZSUMH-UHFFFAOYSA-N 1 2 363.414 2.017 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000184474143 547832300 /nfs/dbraw/zinc/83/23/00/547832300.db2.gz SQAFFZJOJSEPEX-UHFFFAOYSA-N 1 2 350.419 2.444 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000184474143 547832305 /nfs/dbraw/zinc/83/23/05/547832305.db2.gz SQAFFZJOJSEPEX-UHFFFAOYSA-N 1 2 350.419 2.444 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(N3CCN(c4cccc[nH+]4)CC3)n2)cc1 ZINC000486437989 561346951 /nfs/dbraw/zinc/34/69/51/561346951.db2.gz OTQRIWPKOJFRMW-UHFFFAOYSA-N 1 2 352.354 2.366 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000245616632 548958418 /nfs/dbraw/zinc/95/84/18/548958418.db2.gz NEOCUFQEQRGEMI-QUCCMNQESA-N 1 2 372.421 2.278 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000245616632 548958425 /nfs/dbraw/zinc/95/84/25/548958425.db2.gz NEOCUFQEQRGEMI-QUCCMNQESA-N 1 2 372.421 2.278 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000247373618 549325503 /nfs/dbraw/zinc/32/55/03/549325503.db2.gz HTXDNDQRULQNKR-BBRMVZONSA-N 1 2 364.427 2.372 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247644980 549367673 /nfs/dbraw/zinc/36/76/73/549367673.db2.gz OSRRHKLKQLVYCI-WFASDCNBSA-N 1 2 364.427 2.372 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C ZINC000248976472 549534813 /nfs/dbraw/zinc/53/48/13/549534813.db2.gz DOCIQQWEPILPGR-SMDDNHRTSA-N 1 2 360.370 2.276 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C ZINC000248976472 549534817 /nfs/dbraw/zinc/53/48/17/549534817.db2.gz DOCIQQWEPILPGR-SMDDNHRTSA-N 1 2 360.370 2.276 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000249158712 549562799 /nfs/dbraw/zinc/56/27/99/549562799.db2.gz ZJZFNAFMXSIENK-CMPLNLGQSA-N 1 2 369.805 2.318 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000249158712 549562804 /nfs/dbraw/zinc/56/28/04/549562804.db2.gz ZJZFNAFMXSIENK-CMPLNLGQSA-N 1 2 369.805 2.318 20 5 FEBDLO COc1cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000249586622 549608219 /nfs/dbraw/zinc/60/82/19/549608219.db2.gz TZXSFKQIFCWMLF-BXKDBHETSA-N 1 2 373.356 2.291 20 5 FEBDLO COc1cc(C[N@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000249586622 549608220 /nfs/dbraw/zinc/60/82/20/549608220.db2.gz TZXSFKQIFCWMLF-BXKDBHETSA-N 1 2 373.356 2.291 20 5 FEBDLO COC(=O)C(C)(C)[NH+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000489871294 561421080 /nfs/dbraw/zinc/42/10/80/561421080.db2.gz DBRLFNJCHLVWQA-UHFFFAOYSA-N 1 2 358.398 2.217 20 5 FEBDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000268443045 550066603 /nfs/dbraw/zinc/06/66/03/550066603.db2.gz HLLVLMYIWCDUSW-WCQYABFASA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000268443045 550066608 /nfs/dbraw/zinc/06/66/08/550066608.db2.gz HLLVLMYIWCDUSW-WCQYABFASA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000268443045 550066611 /nfs/dbraw/zinc/06/66/11/550066611.db2.gz HLLVLMYIWCDUSW-WCQYABFASA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000268443045 550066615 /nfs/dbraw/zinc/06/66/15/550066615.db2.gz HLLVLMYIWCDUSW-WCQYABFASA-N 1 2 358.402 2.228 20 5 FEBDLO CC(=O)N1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000268657124 550099435 /nfs/dbraw/zinc/09/94/35/550099435.db2.gz HRRLIXUJSGMZLJ-ZDUSSCGKSA-N 1 2 355.398 2.417 20 5 FEBDLO CC[C@H](NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000493049438 561454243 /nfs/dbraw/zinc/45/42/43/561454243.db2.gz ISBQSCXWCFYUQS-INIZCTEOSA-N 1 2 372.429 2.296 20 5 FEBDLO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269654211 550214266 /nfs/dbraw/zinc/21/42/66/550214266.db2.gz NXPHXXUTVLKMHG-MSOLQXFVSA-N 1 2 356.378 2.401 20 5 FEBDLO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269654211 550214268 /nfs/dbraw/zinc/21/42/68/550214268.db2.gz NXPHXXUTVLKMHG-MSOLQXFVSA-N 1 2 356.378 2.401 20 5 FEBDLO COCCCOCC[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000271561046 550385597 /nfs/dbraw/zinc/38/55/97/550385597.db2.gz NEQCTCSFHPRWKF-UHFFFAOYSA-N 1 2 350.375 2.130 20 5 FEBDLO COCCCOCC[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000271561046 550385599 /nfs/dbraw/zinc/38/55/99/550385599.db2.gz NEQCTCSFHPRWKF-UHFFFAOYSA-N 1 2 350.375 2.130 20 5 FEBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272437056 550447847 /nfs/dbraw/zinc/44/78/47/550447847.db2.gz MCMTYDIMCNACOU-UHFFFAOYSA-N 1 2 357.292 2.208 20 5 FEBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(CCNc3ccccc3[N+](=O)[O-])n2)C1 ZINC000272668030 550463796 /nfs/dbraw/zinc/46/37/96/550463796.db2.gz PTWFZZLWIHIQBG-HNNXBMFYSA-N 1 2 361.402 2.414 20 5 FEBDLO CC(C)[N@H+]1CCO[C@H](c2noc(CCNc3ccccc3[N+](=O)[O-])n2)C1 ZINC000272668030 550463798 /nfs/dbraw/zinc/46/37/98/550463798.db2.gz PTWFZZLWIHIQBG-HNNXBMFYSA-N 1 2 361.402 2.414 20 5 FEBDLO O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272953117 550477983 /nfs/dbraw/zinc/47/79/83/550477983.db2.gz GOCNCEXXJCYFCN-BLLLJJGKSA-N 1 2 369.381 2.217 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000273290418 550493266 /nfs/dbraw/zinc/49/32/66/550493266.db2.gz MQEKCEBPLABMLW-UKRRQHHQSA-N 1 2 365.430 2.271 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000273290418 550493268 /nfs/dbraw/zinc/49/32/68/550493268.db2.gz MQEKCEBPLABMLW-UKRRQHHQSA-N 1 2 365.430 2.271 20 5 FEBDLO CC[C@H]1C[N@H+](CCNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000494686778 561474330 /nfs/dbraw/zinc/47/43/30/561474330.db2.gz SEZVTIURROBJHS-CJNGLKHVSA-N 1 2 350.419 2.066 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000494686778 561474331 /nfs/dbraw/zinc/47/43/31/561474331.db2.gz SEZVTIURROBJHS-CJNGLKHVSA-N 1 2 350.419 2.066 20 5 FEBDLO CCc1n[nH]c(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1[N+](=O)[O-] ZINC000279507830 550897957 /nfs/dbraw/zinc/89/79/57/550897957.db2.gz KHSBRFZIEJXINU-UHFFFAOYSA-N 1 2 372.429 2.433 20 5 FEBDLO CCc1[nH]nc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1[N+](=O)[O-] ZINC000279507830 550897958 /nfs/dbraw/zinc/89/79/58/550897958.db2.gz KHSBRFZIEJXINU-UHFFFAOYSA-N 1 2 372.429 2.433 20 5 FEBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C[C@@H](C)O2 ZINC000279666618 550914486 /nfs/dbraw/zinc/91/44/86/550914486.db2.gz DBUYWIWCHXLZSM-FHSNZYRGSA-N 1 2 374.397 2.413 20 5 FEBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C[C@@H](C)O2 ZINC000279666618 550914488 /nfs/dbraw/zinc/91/44/88/550914488.db2.gz DBUYWIWCHXLZSM-FHSNZYRGSA-N 1 2 374.397 2.413 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC2(CCOCC2)O1 ZINC000279852002 550935864 /nfs/dbraw/zinc/93/58/64/550935864.db2.gz SCMNKPYLYWRVEN-CYBMUJFWSA-N 1 2 374.397 2.415 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC2(CCOCC2)O1 ZINC000279852002 550935866 /nfs/dbraw/zinc/93/58/66/550935866.db2.gz SCMNKPYLYWRVEN-CYBMUJFWSA-N 1 2 374.397 2.415 20 5 FEBDLO COC(=O)CCCc1nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)no1 ZINC000282400787 551223388 /nfs/dbraw/zinc/22/33/88/551223388.db2.gz HTKZBQAGVITICM-UHFFFAOYSA-N 1 2 362.386 2.148 20 5 FEBDLO COC(=O)CCCc1nc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)no1 ZINC000282400787 551223391 /nfs/dbraw/zinc/22/33/91/551223391.db2.gz HTKZBQAGVITICM-UHFFFAOYSA-N 1 2 362.386 2.148 20 5 FEBDLO CCc1cc(N[C@H]2CCC[C@@H]2C(=O)NC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000497515065 561502769 /nfs/dbraw/zinc/50/27/69/561502769.db2.gz LAKJMQJHYMXFDX-HOTGVXAUSA-N 1 2 369.425 2.363 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)O1 ZINC000282526617 551241957 /nfs/dbraw/zinc/24/19/57/551241957.db2.gz UNZMAGXBLIKIPF-YVFQKMDQSA-N 1 2 352.362 2.417 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)O1 ZINC000282526617 551241960 /nfs/dbraw/zinc/24/19/60/551241960.db2.gz UNZMAGXBLIKIPF-YVFQKMDQSA-N 1 2 352.362 2.417 20 5 FEBDLO Cc1cc(F)c(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000283668980 551406388 /nfs/dbraw/zinc/40/63/88/551406388.db2.gz DUBROVMKTSEUKU-ZDUSSCGKSA-N 1 2 366.393 2.371 20 5 FEBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C[C@@H]21 ZINC000283986595 551462320 /nfs/dbraw/zinc/46/23/20/551462320.db2.gz HPVSXRGGNCTWQB-UONOGXRCSA-N 1 2 361.423 2.355 20 5 FEBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C[C@@H]21 ZINC000283986595 551462321 /nfs/dbraw/zinc/46/23/21/551462321.db2.gz HPVSXRGGNCTWQB-UONOGXRCSA-N 1 2 361.423 2.355 20 5 FEBDLO Cc1noc([C@H]2CCCC[N@@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000285501187 551765842 /nfs/dbraw/zinc/76/58/42/551765842.db2.gz CRDMJFJLDYXUAZ-GOEBONIOSA-N 1 2 362.386 2.253 20 5 FEBDLO Cc1noc([C@H]2CCCC[N@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000285501187 551765845 /nfs/dbraw/zinc/76/58/45/551765845.db2.gz CRDMJFJLDYXUAZ-GOEBONIOSA-N 1 2 362.386 2.253 20 5 FEBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000285860925 551819966 /nfs/dbraw/zinc/81/99/66/551819966.db2.gz PRVNSDJKDBCAOX-DEANOFPJSA-N 1 2 359.426 2.320 20 5 FEBDLO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000286277858 551868771 /nfs/dbraw/zinc/86/87/71/551868771.db2.gz DUTBRKTYURDPKU-GHMZBOCLSA-N 1 2 359.473 2.123 20 5 FEBDLO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000286277868 551868850 /nfs/dbraw/zinc/86/88/50/551868850.db2.gz DUTBRKTYURDPKU-QWRGUYRKSA-N 1 2 359.473 2.123 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ncc(Br)cc1[N+](=O)[O-] ZINC000286296806 551871235 /nfs/dbraw/zinc/87/12/35/551871235.db2.gz JFCCZKBXWMBMBI-PWSUYJOCSA-N 1 2 371.235 2.052 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000286621892 551907260 /nfs/dbraw/zinc/90/72/60/551907260.db2.gz CJBXRCKEDMWGRG-OCCSQVGLSA-N 1 2 358.398 2.011 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287616827 552025676 /nfs/dbraw/zinc/02/56/76/552025676.db2.gz YYWGLYSAZQCMLN-OCCSQVGLSA-N 1 2 367.833 2.492 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000287616825 552025889 /nfs/dbraw/zinc/02/58/89/552025889.db2.gz YYWGLYSAZQCMLN-JSGCOSHPSA-N 1 2 367.833 2.492 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](CO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000288546869 552173231 /nfs/dbraw/zinc/17/32/31/552173231.db2.gz ALLJCPAQTOHYOH-STQMWFEESA-N 1 2 351.403 2.025 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](CO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000288546869 552173234 /nfs/dbraw/zinc/17/32/34/552173234.db2.gz ALLJCPAQTOHYOH-STQMWFEESA-N 1 2 351.403 2.025 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000289005724 552251271 /nfs/dbraw/zinc/25/12/71/552251271.db2.gz UIZUZKUDWKYWOO-ZDUSSCGKSA-N 1 2 354.388 2.002 20 5 FEBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000289008940 552251543 /nfs/dbraw/zinc/25/15/43/552251543.db2.gz XBUIHIQVSHRWGH-UHFFFAOYSA-N 1 2 350.448 2.288 20 5 FEBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000289008940 552251546 /nfs/dbraw/zinc/25/15/46/552251546.db2.gz XBUIHIQVSHRWGH-UHFFFAOYSA-N 1 2 350.448 2.288 20 5 FEBDLO Cc1ccc(CNc2cccc(C[N@@H+]3CCNC(=O)C3)c2)cc1[N+](=O)[O-] ZINC000291078075 552584124 /nfs/dbraw/zinc/58/41/24/552584124.db2.gz NADORNISQPBSIW-UHFFFAOYSA-N 1 2 354.410 2.447 20 5 FEBDLO Cc1ccc(CNc2cccc(C[N@H+]3CCNC(=O)C3)c2)cc1[N+](=O)[O-] ZINC000291078075 552584125 /nfs/dbraw/zinc/58/41/25/552584125.db2.gz NADORNISQPBSIW-UHFFFAOYSA-N 1 2 354.410 2.447 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291869205 552670181 /nfs/dbraw/zinc/67/01/81/552670181.db2.gz PRMZWRMHKQIPKM-TZMCWYRMSA-N 1 2 359.386 2.074 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291869205 552670182 /nfs/dbraw/zinc/67/01/82/552670182.db2.gz PRMZWRMHKQIPKM-TZMCWYRMSA-N 1 2 359.386 2.074 20 5 FEBDLO COC(=O)N1CCN(c2ccc(NCc3ccccc3[N+](=O)[O-])c[nH+]2)CC1 ZINC000293001680 552779281 /nfs/dbraw/zinc/77/92/81/552779281.db2.gz NCEDYLPSBXOUKD-UHFFFAOYSA-N 1 2 371.397 2.490 20 5 FEBDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000294783776 552933949 /nfs/dbraw/zinc/93/39/49/552933949.db2.gz LIZDXEWSISKLAH-OAHLLOKOSA-N 1 2 365.386 2.124 20 5 FEBDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000294783776 552933951 /nfs/dbraw/zinc/93/39/51/552933951.db2.gz LIZDXEWSISKLAH-OAHLLOKOSA-N 1 2 365.386 2.124 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000295173671 552966339 /nfs/dbraw/zinc/96/63/39/552966339.db2.gz AUJNSPOABAGAQB-AWEZNQCLSA-N 1 2 364.427 2.409 20 5 FEBDLO CN(CC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)c1ccccc1[N+](=O)[O-] ZINC000295941571 553078622 /nfs/dbraw/zinc/07/86/22/553078622.db2.gz QDXYDKZHHYYHLY-INIZCTEOSA-N 1 2 357.414 2.374 20 5 FEBDLO CCOc1cc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000502812113 561626375 /nfs/dbraw/zinc/62/63/75/561626375.db2.gz ZEBHQLNLRSNQSJ-CQSZACIVSA-N 1 2 356.444 2.393 20 5 FEBDLO CCOc1cc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000502812113 561626376 /nfs/dbraw/zinc/62/63/76/561626376.db2.gz ZEBHQLNLRSNQSJ-CQSZACIVSA-N 1 2 356.444 2.393 20 5 FEBDLO Cc1cc(NCCNC(=O)c2c(N)cccc2[N+](=O)[O-])nc(C(C)C)[nH+]1 ZINC000600363653 553257002 /nfs/dbraw/zinc/25/70/02/553257002.db2.gz ADVCWYOLXRXPPS-UHFFFAOYSA-N 1 2 358.402 2.241 20 5 FEBDLO COC(=O)c1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1F ZINC000298033130 553374608 /nfs/dbraw/zinc/37/46/08/553374608.db2.gz GFECITTYIVXZTC-UHFFFAOYSA-N 1 2 374.372 2.238 20 5 FEBDLO COc1ccc(NC(=O)CC[N@@H+]2CCOC[C@H]2CC(F)F)c([N+](=O)[O-])c1 ZINC000298581117 553443835 /nfs/dbraw/zinc/44/38/35/553443835.db2.gz RANKRAPEMXKGRG-LLVKDONJSA-N 1 2 373.356 2.288 20 5 FEBDLO COc1ccc(NC(=O)CC[N@H+]2CCOC[C@H]2CC(F)F)c([N+](=O)[O-])c1 ZINC000298581117 553443837 /nfs/dbraw/zinc/44/38/37/553443837.db2.gz RANKRAPEMXKGRG-LLVKDONJSA-N 1 2 373.356 2.288 20 5 FEBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000299413013 553559864 /nfs/dbraw/zinc/55/98/64/553559864.db2.gz DPBITCOSZKRDML-UHFFFAOYSA-N 1 2 374.372 2.424 20 5 FEBDLO O=[N+]([O-])c1ccccc1N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000301155427 553626518 /nfs/dbraw/zinc/62/65/18/553626518.db2.gz CVJMSKBRZKOQRI-UHFFFAOYSA-N 1 2 354.414 2.312 20 5 FEBDLO O=[N+]([O-])c1ccccc1N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000301155427 553626520 /nfs/dbraw/zinc/62/65/20/553626520.db2.gz CVJMSKBRZKOQRI-UHFFFAOYSA-N 1 2 354.414 2.312 20 5 FEBDLO COc1cc(F)c([N+](=O)[O-])c(NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000301328335 553642308 /nfs/dbraw/zinc/64/23/08/553642308.db2.gz CMWOSOBUBHFTHJ-INIZCTEOSA-N 1 2 371.434 2.362 20 5 FEBDLO CS(=O)(=O)c1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000301628805 553667397 /nfs/dbraw/zinc/66/73/97/553667397.db2.gz HWDDNDKTRNLQDA-CYBMUJFWSA-N 1 2 363.395 2.051 20 5 FEBDLO O=[N+]([O-])c1cccc2c1CCN(c1cc(N3CCC[C@@H](CO)C3)[nH+]cn1)C2 ZINC000301812017 553681712 /nfs/dbraw/zinc/68/17/12/553681712.db2.gz DYBHJTIEDOQATQ-CQSZACIVSA-N 1 2 369.425 2.156 20 5 FEBDLO O=[N+]([O-])c1cccc2c1CCN(c1cc(N3CCC[C@@H](CO)C3)nc[nH+]1)C2 ZINC000301812017 553681714 /nfs/dbraw/zinc/68/17/14/553681714.db2.gz DYBHJTIEDOQATQ-CQSZACIVSA-N 1 2 369.425 2.156 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cc(N4CCCCC4)[nH+]cn3)C2)nc1 ZINC000302776832 553732208 /nfs/dbraw/zinc/73/22/08/553732208.db2.gz FUBUNTFNWVIHRR-CQSZACIVSA-N 1 2 369.429 2.461 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cc(N4CCCCC4)nc[nH+]3)C2)nc1 ZINC000302776832 553732209 /nfs/dbraw/zinc/73/22/09/553732209.db2.gz FUBUNTFNWVIHRR-CQSZACIVSA-N 1 2 369.429 2.461 20 5 FEBDLO COc1ccccc1[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000505462023 561671498 /nfs/dbraw/zinc/67/14/98/561671498.db2.gz VHHFTOWBKCTXKQ-MRXNPFEDSA-N 1 2 370.409 2.188 20 5 FEBDLO C[C@H]1CCC[C@@H](NC(=O)CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000303317190 553744399 /nfs/dbraw/zinc/74/43/99/553744399.db2.gz HAYGWFSHTBXCSZ-FUHWJXTLSA-N 1 2 374.485 2.407 20 5 FEBDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000303317190 553744403 /nfs/dbraw/zinc/74/44/03/553744403.db2.gz HAYGWFSHTBXCSZ-FUHWJXTLSA-N 1 2 374.485 2.407 20 5 FEBDLO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000505565395 561674109 /nfs/dbraw/zinc/67/41/09/561674109.db2.gz JHFFTRKQHVEGTJ-KRWDZBQOSA-N 1 2 351.366 2.258 20 5 FEBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000505703882 561678009 /nfs/dbraw/zinc/67/80/09/561678009.db2.gz WZSLGUTZLWYYDT-OAHLLOKOSA-N 1 2 351.366 2.258 20 5 FEBDLO Cc1ccc(N2CCC(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)[nH+]c1 ZINC000506491701 561700014 /nfs/dbraw/zinc/70/00/14/561700014.db2.gz ARFXBDNQUAEEML-UHFFFAOYSA-N 1 2 356.382 2.403 20 5 FEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000330549130 554136827 /nfs/dbraw/zinc/13/68/27/554136827.db2.gz LWTJXMMXILSXQF-WDEREUQCSA-N 1 2 361.851 2.351 20 5 FEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000330549130 554136829 /nfs/dbraw/zinc/13/68/29/554136829.db2.gz LWTJXMMXILSXQF-WDEREUQCSA-N 1 2 361.851 2.351 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000508083943 561750916 /nfs/dbraw/zinc/75/09/16/561750916.db2.gz LLHIYMQZYHNFHE-UHFFFAOYSA-N 1 2 359.367 2.035 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000331171546 554225473 /nfs/dbraw/zinc/22/54/73/554225473.db2.gz OEHJOJSOZBAZCY-STQMWFEESA-N 1 2 353.444 2.073 20 5 FEBDLO CCc1n[nH]c(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1[N+](=O)[O-] ZINC000332284684 554417137 /nfs/dbraw/zinc/41/71/37/554417137.db2.gz YSBXMDIEEPHDFL-SNVBAGLBSA-N 1 2 360.418 2.119 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000510445596 561834779 /nfs/dbraw/zinc/83/47/79/561834779.db2.gz RBVVRBYALXVFFT-HNNXBMFYSA-N 1 2 364.427 2.375 20 5 FEBDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000510520110 561837678 /nfs/dbraw/zinc/83/76/78/561837678.db2.gz XALGAPOCTVLYKB-UHFFFAOYSA-N 1 2 367.452 2.161 20 5 FEBDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000510520110 561837679 /nfs/dbraw/zinc/83/76/79/561837679.db2.gz XALGAPOCTVLYKB-UHFFFAOYSA-N 1 2 367.452 2.161 20 5 FEBDLO Cc1ccc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c([N+](=O)[O-])c1 ZINC000511300627 561864436 /nfs/dbraw/zinc/86/44/36/561864436.db2.gz MLOIQWIAUDAQBO-AWEZNQCLSA-N 1 2 350.400 2.066 20 5 FEBDLO C[NH+](C)CCOc1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000511511414 561871344 /nfs/dbraw/zinc/87/13/44/561871344.db2.gz YCQUYLQATAZIHE-UHFFFAOYSA-N 1 2 359.382 2.171 20 5 FEBDLO Cc1cn2c([nH+]1)CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)CC2 ZINC000363676256 555161597 /nfs/dbraw/zinc/16/15/97/555161597.db2.gz VSDCHSXVISAPRH-UHFFFAOYSA-N 1 2 355.398 2.356 20 5 FEBDLO CCCn1nc2c(cc1=O)C[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC2 ZINC000363807384 555190551 /nfs/dbraw/zinc/19/05/51/555190551.db2.gz ZGYBRRFJLSOHDL-UHFFFAOYSA-N 1 2 358.398 2.128 20 5 FEBDLO CCCn1nc2c(cc1=O)C[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC2 ZINC000363807384 555190552 /nfs/dbraw/zinc/19/05/52/555190552.db2.gz ZGYBRRFJLSOHDL-UHFFFAOYSA-N 1 2 358.398 2.128 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCOCC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000364341241 555294858 /nfs/dbraw/zinc/29/48/58/555294858.db2.gz IYIFCTJIOPCAJJ-UHFFFAOYSA-N 1 2 363.414 2.435 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCOCC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000364341241 555294860 /nfs/dbraw/zinc/29/48/60/555294860.db2.gz IYIFCTJIOPCAJJ-UHFFFAOYSA-N 1 2 363.414 2.435 20 5 FEBDLO O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000364689533 555375480 /nfs/dbraw/zinc/37/54/80/555375480.db2.gz XYVBOMRFLHWXNX-LSDHHAIUSA-N 1 2 355.354 2.175 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)no1 ZINC000365165215 555500205 /nfs/dbraw/zinc/50/02/05/555500205.db2.gz NGPHRVXIYLLRGN-CJNGLKHVSA-N 1 2 371.397 2.271 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)no1 ZINC000365165215 555500206 /nfs/dbraw/zinc/50/02/06/555500206.db2.gz NGPHRVXIYLLRGN-CJNGLKHVSA-N 1 2 371.397 2.271 20 5 FEBDLO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1cc([N+](=O)[O-])cc(F)c1F ZINC000365238348 555519475 /nfs/dbraw/zinc/51/94/75/555519475.db2.gz HGYYKKBFQQRRGO-UHFFFAOYSA-N 1 2 359.292 2.384 20 5 FEBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365378473 555558034 /nfs/dbraw/zinc/55/80/34/555558034.db2.gz MACITQUBDSYRFR-UHFFFAOYSA-N 1 2 357.414 2.466 20 5 FEBDLO COc1cc(OCC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000365517559 555596757 /nfs/dbraw/zinc/59/67/57/555596757.db2.gz OFALWNYLXFGAGG-OAHLLOKOSA-N 1 2 373.365 2.057 20 5 FEBDLO C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000513411865 561937395 /nfs/dbraw/zinc/93/73/95/561937395.db2.gz RACGYPDHNLLWEC-AEFFLSMTSA-N 1 2 374.485 2.407 20 5 FEBDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000513411865 561937396 /nfs/dbraw/zinc/93/73/96/561937396.db2.gz RACGYPDHNLLWEC-AEFFLSMTSA-N 1 2 374.485 2.407 20 5 FEBDLO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000365997980 555722529 /nfs/dbraw/zinc/72/25/29/555722529.db2.gz DIBZTQREWDMHBZ-UHFFFAOYSA-N 1 2 363.414 2.065 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cn(C)nc1C ZINC000366095406 555749998 /nfs/dbraw/zinc/74/99/98/555749998.db2.gz LCQDKTBXQRWPRH-INIZCTEOSA-N 1 2 373.413 2.421 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1c1cn(C)nc1C ZINC000366095406 555750003 /nfs/dbraw/zinc/75/00/03/555750003.db2.gz LCQDKTBXQRWPRH-INIZCTEOSA-N 1 2 373.413 2.421 20 5 FEBDLO Cn1ccnc1[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000513661843 561946076 /nfs/dbraw/zinc/94/60/76/561946076.db2.gz REIDKZAKGXFSHX-INIZCTEOSA-N 1 2 359.430 2.312 20 5 FEBDLO C[C@H](CN1CCCC1=O)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000513684254 561946598 /nfs/dbraw/zinc/94/65/98/561946598.db2.gz PXZZGAVHEXDSBP-DYVFJYSZSA-N 1 2 357.414 2.018 20 5 FEBDLO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000366443003 555845792 /nfs/dbraw/zinc/84/57/92/555845792.db2.gz KWDJTWMHCRQWFA-SNVBAGLBSA-N 1 2 366.361 2.480 20 5 FEBDLO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000366443003 555845793 /nfs/dbraw/zinc/84/57/93/555845793.db2.gz KWDJTWMHCRQWFA-SNVBAGLBSA-N 1 2 366.361 2.480 20 5 FEBDLO CC[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@]2(CCOC2)O1 ZINC000366585570 555883627 /nfs/dbraw/zinc/88/36/27/555883627.db2.gz GVWAIELBXGJQPO-YJBOKZPZSA-N 1 2 374.397 2.415 20 5 FEBDLO CC[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@]2(CCOC2)O1 ZINC000366585570 555883628 /nfs/dbraw/zinc/88/36/28/555883628.db2.gz GVWAIELBXGJQPO-YJBOKZPZSA-N 1 2 374.397 2.415 20 5 FEBDLO C[C@H](C(=O)N1CC[NH+](Cc2cccnc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000514705185 561975069 /nfs/dbraw/zinc/97/50/69/561975069.db2.gz PSCAHDPJQFGXFD-HNNXBMFYSA-N 1 2 354.410 2.438 20 5 FEBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000367946479 556179549 /nfs/dbraw/zinc/17/95/49/556179549.db2.gz YLQWDCZJYBROAW-UHFFFAOYSA-N 1 2 374.441 2.296 20 5 FEBDLO O=C(Nc1ncccc1C[NH+]1CCc2ccccc2CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000368556451 556344684 /nfs/dbraw/zinc/34/46/84/556344684.db2.gz XCZWQWCYNURRCT-QZTJIDSGSA-N 1 2 366.421 2.286 20 5 FEBDLO Cc1ccsc1CNC(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369016260 556477328 /nfs/dbraw/zinc/47/73/28/556477328.db2.gz JADZJJOGGGKEOV-ZDUSSCGKSA-N 1 2 363.443 2.115 20 5 FEBDLO Cc1ccsc1CNC(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369016260 556477332 /nfs/dbraw/zinc/47/73/32/556477332.db2.gz JADZJJOGGGKEOV-ZDUSSCGKSA-N 1 2 363.443 2.115 20 5 FEBDLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000369537017 556624735 /nfs/dbraw/zinc/62/47/35/556624735.db2.gz MTUGMLJPHBRAMD-KDOFPFPSSA-N 1 2 363.414 2.193 20 5 FEBDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000369537017 556624736 /nfs/dbraw/zinc/62/47/36/556624736.db2.gz MTUGMLJPHBRAMD-KDOFPFPSSA-N 1 2 363.414 2.193 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000370508745 556894423 /nfs/dbraw/zinc/89/44/23/556894423.db2.gz QKPCVIALKAFYOM-UONOGXRCSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000370508745 556894425 /nfs/dbraw/zinc/89/44/25/556894425.db2.gz QKPCVIALKAFYOM-UONOGXRCSA-N 1 2 363.414 2.192 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370896457 557007125 /nfs/dbraw/zinc/00/71/25/557007125.db2.gz AHGUIXUHFJRDLT-INIZCTEOSA-N 1 2 374.441 2.319 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370896457 557007129 /nfs/dbraw/zinc/00/71/29/557007129.db2.gz AHGUIXUHFJRDLT-INIZCTEOSA-N 1 2 374.441 2.319 20 5 FEBDLO O=C(C[NH+]1CCC2(CCOC2=O)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000371148603 557089426 /nfs/dbraw/zinc/08/94/26/557089426.db2.gz NKYKGHSFDAMLPE-UHFFFAOYSA-N 1 2 367.789 2.216 20 5 FEBDLO Cc1noc(C2(C)CC[NH+](CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000371575980 557227412 /nfs/dbraw/zinc/22/74/12/557227412.db2.gz SMQMUBLGRODBKA-UHFFFAOYSA-N 1 2 359.386 2.278 20 5 FEBDLO O=C(N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000371706987 557270239 /nfs/dbraw/zinc/27/02/39/557270239.db2.gz MPPKPAPIKSLMON-BJKJVOPESA-N 1 2 351.353 2.024 20 5 FEBDLO O=C(N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000371706987 557270242 /nfs/dbraw/zinc/27/02/42/557270242.db2.gz MPPKPAPIKSLMON-BJKJVOPESA-N 1 2 351.353 2.024 20 5 FEBDLO O=[N+]([O-])c1ccc(OCCNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)cc1 ZINC000518845654 562119808 /nfs/dbraw/zinc/11/98/08/562119808.db2.gz HRAFIFSRVQAMAF-AWEZNQCLSA-N 1 2 373.413 2.084 20 5 FEBDLO O=[N+]([O-])c1ccc(OCCNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)cc1 ZINC000518845654 562119809 /nfs/dbraw/zinc/11/98/09/562119809.db2.gz HRAFIFSRVQAMAF-AWEZNQCLSA-N 1 2 373.413 2.084 20 5 FEBDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520222450 562150889 /nfs/dbraw/zinc/15/08/89/562150889.db2.gz JIEXJXJGPZLLFQ-GOSISDBHSA-N 1 2 373.384 2.365 20 5 FEBDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520222450 562150890 /nfs/dbraw/zinc/15/08/90/562150890.db2.gz JIEXJXJGPZLLFQ-GOSISDBHSA-N 1 2 373.384 2.365 20 5 FEBDLO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@]2(CCOC2)O1 ZINC000373484308 557702099 /nfs/dbraw/zinc/70/20/99/557702099.db2.gz XJAIUCBZBMSHBZ-AEFFLSMTSA-N 1 2 364.398 2.231 20 5 FEBDLO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@]2(CCOC2)O1 ZINC000373484308 557702100 /nfs/dbraw/zinc/70/21/00/557702100.db2.gz XJAIUCBZBMSHBZ-AEFFLSMTSA-N 1 2 364.398 2.231 20 5 FEBDLO O=C1C[C@H]([NH+]2CCC(OCC3CC3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000374127748 557828368 /nfs/dbraw/zinc/82/83/68/557828368.db2.gz AOYRHMQERVZNDQ-KRWDZBQOSA-N 1 2 373.409 2.118 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000374341543 557868425 /nfs/dbraw/zinc/86/84/25/557868425.db2.gz OZRZNVFSHYSALB-ZDUSSCGKSA-N 1 2 366.381 2.144 20 5 FEBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000374749047 557925046 /nfs/dbraw/zinc/92/50/46/557925046.db2.gz BXYXDQKYGUUYKK-AWEZNQCLSA-N 1 2 350.400 2.027 20 5 FEBDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1)C(=O)OC(C)(C)C ZINC000375397425 558020593 /nfs/dbraw/zinc/02/05/93/558020593.db2.gz LFYHILJAWOPFIF-STQMWFEESA-N 1 2 371.413 2.071 20 5 FEBDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1CCn1ccc([N+](=O)[O-])n1)C(=O)OC(C)(C)C ZINC000375397425 558020594 /nfs/dbraw/zinc/02/05/94/558020594.db2.gz LFYHILJAWOPFIF-STQMWFEESA-N 1 2 371.413 2.071 20 5 FEBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000375499153 558038488 /nfs/dbraw/zinc/03/84/88/558038488.db2.gz VAOHRYQGQONJAN-WDMOLILDSA-N 1 2 368.231 2.443 20 5 FEBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000375499153 558038489 /nfs/dbraw/zinc/03/84/89/558038489.db2.gz VAOHRYQGQONJAN-WDMOLILDSA-N 1 2 368.231 2.443 20 5 FEBDLO Cc1nc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC000375756585 558077750 /nfs/dbraw/zinc/07/77/50/558077750.db2.gz HZWYIMSZMNGFEP-AAEUAGOBSA-N 1 2 359.386 2.493 20 5 FEBDLO Cc1nc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC000375756585 558077752 /nfs/dbraw/zinc/07/77/52/558077752.db2.gz HZWYIMSZMNGFEP-AAEUAGOBSA-N 1 2 359.386 2.493 20 5 FEBDLO COc1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])cc1OC ZINC000523312234 562210779 /nfs/dbraw/zinc/21/07/79/562210779.db2.gz GHMDRNXRACFQAG-UHFFFAOYSA-N 1 2 360.370 2.355 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000378492946 558569112 /nfs/dbraw/zinc/56/91/12/558569112.db2.gz IAEAMSSPVLDVIY-UHFFFAOYSA-N 1 2 358.324 2.381 20 5 FEBDLO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378522648 558574292 /nfs/dbraw/zinc/57/42/92/558574292.db2.gz YANOAFLZWAWLNV-OAHLLOKOSA-N 1 2 352.354 2.481 20 5 FEBDLO CCCNC(=O)C[N@H+](CCC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411184888 558850265 /nfs/dbraw/zinc/85/02/65/558850265.db2.gz VKKHZLMYDHRUQT-CYBMUJFWSA-N 1 2 350.419 2.160 20 5 FEBDLO CCCNC(=O)C[N@@H+](CCC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411184888 558850266 /nfs/dbraw/zinc/85/02/66/558850266.db2.gz VKKHZLMYDHRUQT-CYBMUJFWSA-N 1 2 350.419 2.160 20 5 FEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000411580671 558922326 /nfs/dbraw/zinc/92/23/26/558922326.db2.gz HCCFWUDXTZHCNC-GFCCVEGCSA-N 1 2 359.386 2.244 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1F ZINC000412167268 559018123 /nfs/dbraw/zinc/01/81/23/559018123.db2.gz ALDZJJSQSXMOQE-UHFFFAOYSA-N 1 2 362.361 2.414 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1F ZINC000412167268 559018124 /nfs/dbraw/zinc/01/81/24/559018124.db2.gz ALDZJJSQSXMOQE-UHFFFAOYSA-N 1 2 362.361 2.414 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000412697275 559051160 /nfs/dbraw/zinc/05/11/60/559051160.db2.gz LOFRKWNFBMOANG-CQSZACIVSA-N 1 2 357.414 2.158 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000412697275 559051161 /nfs/dbraw/zinc/05/11/61/559051161.db2.gz LOFRKWNFBMOANG-CQSZACIVSA-N 1 2 357.414 2.158 20 5 FEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCS(=O)(=O)NCC3CCC3)c2c1 ZINC000413150588 559083382 /nfs/dbraw/zinc/08/33/82/559083382.db2.gz XAMKMIUDFUQCCW-UHFFFAOYSA-N 1 2 364.427 2.274 20 5 FEBDLO Cn1c2cc(F)ccc2[nH+]c1N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000413321820 559098589 /nfs/dbraw/zinc/09/85/89/559098589.db2.gz BOFNGWKKASEZRX-UHFFFAOYSA-N 1 2 356.361 2.342 20 5 FEBDLO Cc1cc(N2CC[C@H](C(=O)N(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413515407 559113603 /nfs/dbraw/zinc/11/36/03/559113603.db2.gz NBULUVITZVOVEJ-AWEZNQCLSA-N 1 2 355.398 2.275 20 5 FEBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000413966999 559143928 /nfs/dbraw/zinc/14/39/28/559143928.db2.gz NPUKULNCQFMTJT-UHFFFAOYSA-N 1 2 355.822 2.018 20 5 FEBDLO COC(=O)c1cnc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000414121446 559150020 /nfs/dbraw/zinc/15/00/20/559150020.db2.gz ZORCXCZDKNVUPC-SECBINFHSA-N 1 2 364.383 2.127 20 5 FEBDLO CC[C@@H](NC(=O)NCC[N@@H+]1CCO[C@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000426020392 559727685 /nfs/dbraw/zinc/72/76/85/559727685.db2.gz LAHKIYTYNSSIKN-IAGOWNOFSA-N 1 2 364.446 2.456 20 5 FEBDLO CC[C@@H](NC(=O)NCC[N@H+]1CCO[C@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000426020392 559727686 /nfs/dbraw/zinc/72/76/86/559727686.db2.gz LAHKIYTYNSSIKN-IAGOWNOFSA-N 1 2 364.446 2.456 20 5 FEBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCO1 ZINC000428054933 559768825 /nfs/dbraw/zinc/76/88/25/559768825.db2.gz PNIPAGVWMILEJW-OAHLLOKOSA-N 1 2 362.430 2.010 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCO1 ZINC000428054933 559768826 /nfs/dbraw/zinc/76/88/26/559768826.db2.gz PNIPAGVWMILEJW-OAHLLOKOSA-N 1 2 362.430 2.010 20 5 FEBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000428361892 559773955 /nfs/dbraw/zinc/77/39/55/559773955.db2.gz NAFIFGQPMQJDAI-CQSZACIVSA-N 1 2 355.398 2.136 20 5 FEBDLO O=[N+]([O-])c1cccc(CCNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)c1 ZINC000433750968 559887214 /nfs/dbraw/zinc/88/72/14/559887214.db2.gz KDLPWWWLUQZANV-INIZCTEOSA-N 1 2 357.414 2.391 20 5 FEBDLO O=[N+]([O-])c1cccc(CCNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)c1 ZINC000433750968 559887215 /nfs/dbraw/zinc/88/72/15/559887215.db2.gz KDLPWWWLUQZANV-INIZCTEOSA-N 1 2 357.414 2.391 20 5 FEBDLO Cn1cc(C[NH+]2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)cn1 ZINC000436382490 559940789 /nfs/dbraw/zinc/94/07/89/559940789.db2.gz AYELNCXTYNXSPO-UHFFFAOYSA-N 1 2 370.335 2.064 20 5 FEBDLO Cn1cc[nH+]c1CN1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436399065 559941217 /nfs/dbraw/zinc/94/12/17/559941217.db2.gz WWFGALVGBVGKPJ-UHFFFAOYSA-N 1 2 370.335 2.064 20 5 FEBDLO COc1cc(C(=O)NC[C@H]2CCCn3cc[nH+]c32)cc([N+](=O)[O-])c1OC ZINC000438185704 559975299 /nfs/dbraw/zinc/97/52/99/559975299.db2.gz DCANLSXPFSCFQF-LLVKDONJSA-N 1 2 360.370 2.116 20 5 FEBDLO Cc1cnc(N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000440653727 560015418 /nfs/dbraw/zinc/01/54/18/560015418.db2.gz QPBRGYUNAXMREE-QGZVFWFLSA-N 1 2 350.419 2.198 20 5 FEBDLO C[C@@H]([NH2+]Cc1nnnn1CCOCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000447316126 560160100 /nfs/dbraw/zinc/16/01/00/560160100.db2.gz WCUUQVRZFKMYRD-SNVBAGLBSA-N 1 2 374.323 2.011 20 5 FEBDLO C[C@](O)(CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C(F)(F)F ZINC000447819056 560170057 /nfs/dbraw/zinc/17/00/57/560170057.db2.gz WFMWYOWZJAXFLH-AWEZNQCLSA-N 1 2 363.336 2.152 20 5 FEBDLO CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H]2CCO[C@H]21 ZINC000449928125 560245519 /nfs/dbraw/zinc/24/55/19/560245519.db2.gz PQMYRMNAUDHNPO-DAXOMENPSA-N 1 2 356.382 2.324 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000450241602 560255431 /nfs/dbraw/zinc/25/54/31/560255431.db2.gz HCZSBUQAIZWNQA-CQSZACIVSA-N 1 2 356.382 2.307 20 5 FEBDLO C/C=C\C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OCC ZINC000450904614 560277698 /nfs/dbraw/zinc/27/76/98/560277698.db2.gz BZSUOLSBNZBHGW-PKXJPQMGSA-N 1 2 372.381 2.408 20 5 FEBDLO C/C=C/C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OCC ZINC000450904605 560277842 /nfs/dbraw/zinc/27/78/42/560277842.db2.gz BZSUOLSBNZBHGW-KQIUPUNMSA-N 1 2 372.381 2.408 20 5 FEBDLO C[C@H](CO)N(CC1CCC1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451063925 560285295 /nfs/dbraw/zinc/28/52/95/560285295.db2.gz NIJSHBORGHAUDY-CYBMUJFWSA-N 1 2 358.398 2.404 20 5 FEBDLO CCC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OCC ZINC000451303231 560299108 /nfs/dbraw/zinc/29/91/08/560299108.db2.gz LZZLWSAXKFCVOX-AWEZNQCLSA-N 1 2 374.397 2.490 20 5 FEBDLO CCO[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000451548311 560313873 /nfs/dbraw/zinc/31/38/73/560313873.db2.gz VCYLTWQPARKFHN-XJKSGUPXSA-N 1 2 356.444 2.115 20 5 FEBDLO CCO[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000451548311 560313874 /nfs/dbraw/zinc/31/38/74/560313874.db2.gz VCYLTWQPARKFHN-XJKSGUPXSA-N 1 2 356.444 2.115 20 5 FEBDLO CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451551092 560314216 /nfs/dbraw/zinc/31/42/16/560314216.db2.gz XOVARQIWSFYPSO-BLLLJJGKSA-N 1 2 351.403 2.289 20 5 FEBDLO CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451551092 560314217 /nfs/dbraw/zinc/31/42/17/560314217.db2.gz XOVARQIWSFYPSO-BLLLJJGKSA-N 1 2 351.403 2.289 20 5 FEBDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000451927176 560338220 /nfs/dbraw/zinc/33/82/20/560338220.db2.gz JIPXQWJRNQEGTA-LBPRGKRZSA-N 1 2 352.416 2.468 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000451933528 560338808 /nfs/dbraw/zinc/33/88/08/560338808.db2.gz CBNVNASHFUEHDH-DGCLKSJQSA-N 1 2 350.400 2.392 20 5 FEBDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000451974521 560341508 /nfs/dbraw/zinc/34/15/08/560341508.db2.gz SLBABMLDVJIPSF-CQSZACIVSA-N 1 2 355.460 2.316 20 5 FEBDLO COc1cc(C)c(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c(C)n1 ZINC000453577469 560389452 /nfs/dbraw/zinc/38/94/52/560389452.db2.gz OPXLLVGBOGKTAB-UHFFFAOYSA-N 1 2 357.414 2.332 20 5 FEBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000456199431 560510732 /nfs/dbraw/zinc/51/07/32/560510732.db2.gz GVWSMMLCGXOANX-OKILXGFUSA-N 1 2 373.331 2.207 20 5 FEBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000456199431 560510733 /nfs/dbraw/zinc/51/07/33/560510733.db2.gz GVWSMMLCGXOANX-OKILXGFUSA-N 1 2 373.331 2.207 20 5 FEBDLO C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c2[nH+]ccn21 ZINC000456435030 560520537 /nfs/dbraw/zinc/52/05/37/560520537.db2.gz VDXDOADLAFHTFP-JSGCOSHPSA-N 1 2 371.397 2.064 20 5 FEBDLO Cc1cc(N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c(F)cc1[N+](=O)[O-] ZINC000461971268 560790302 /nfs/dbraw/zinc/79/03/02/560790302.db2.gz XOUVPICXQJAOTO-ZDUSSCGKSA-N 1 2 361.377 2.379 20 5 FEBDLO CN(C)c1ccc(CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c[nH+]1 ZINC000468459847 560930395 /nfs/dbraw/zinc/93/03/95/560930395.db2.gz UBVNYAFLFKEUHZ-UHFFFAOYSA-N 1 2 371.397 2.029 20 5 FEBDLO COc1cc(S(=O)(=O)Nc2ccc3[nH+]c(C)cn3c2)ccc1[N+](=O)[O-] ZINC000468844294 560940344 /nfs/dbraw/zinc/94/03/44/560940344.db2.gz FVTHIDUYNCEVFG-UHFFFAOYSA-N 1 2 362.367 2.360 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@](C)(OC)C2)c([N+](=O)[O-])c1 ZINC000470915022 560993793 /nfs/dbraw/zinc/99/37/93/560993793.db2.gz XUTBKBKXNXBMIC-KRWDZBQOSA-N 1 2 351.403 2.433 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@](C)(OC)C2)c([N+](=O)[O-])c1 ZINC000470915022 560993794 /nfs/dbraw/zinc/99/37/94/560993794.db2.gz XUTBKBKXNXBMIC-KRWDZBQOSA-N 1 2 351.403 2.433 20 5 FEBDLO CCN1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000471091111 560998211 /nfs/dbraw/zinc/99/82/11/560998211.db2.gz QLMJRWXUHWOOOI-XJKSGUPXSA-N 1 2 372.429 2.024 20 5 FEBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCNc1cccc[nH+]1 ZINC000472310475 561023977 /nfs/dbraw/zinc/02/39/77/561023977.db2.gz BGCVQAAIFJXPFZ-UHFFFAOYSA-N 1 2 356.791 2.034 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000476180577 561112484 /nfs/dbraw/zinc/11/24/84/561112484.db2.gz YMVJHDLFSHDKDH-UHFFFAOYSA-N 1 2 351.366 2.233 20 5 FEBDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476658329 561125484 /nfs/dbraw/zinc/12/54/84/561125484.db2.gz KGIXMDCWHJXNBY-ZDUSSCGKSA-N 1 2 368.397 2.291 20 5 FEBDLO C[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1n1cc[nH+]c1 ZINC000531581248 562450664 /nfs/dbraw/zinc/45/06/64/562450664.db2.gz CQEOUANSZFTCRJ-BXUZGUMPSA-N 1 2 358.354 2.243 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000531634313 562452357 /nfs/dbraw/zinc/45/23/57/562452357.db2.gz MYEMSZGOZVWNFX-DAXSKMNVSA-N 1 2 352.394 2.461 20 5 FEBDLO COc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc2c1OCO2 ZINC000534336885 562532070 /nfs/dbraw/zinc/53/20/70/562532070.db2.gz XMSGRYNUACADAG-UHFFFAOYSA-N 1 2 372.381 2.049 20 5 FEBDLO Cc1cc[nH+]cc1N1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000536307554 562574103 /nfs/dbraw/zinc/57/41/03/562574103.db2.gz OPJZZXBOMRUBFE-OAHLLOKOSA-N 1 2 369.425 2.447 20 5 FEBDLO O=[N+]([O-])c1cccc2ncnc(NCCNc3ccc4ccccc4[nH+]3)c21 ZINC000541579665 562615865 /nfs/dbraw/zinc/61/58/65/562615865.db2.gz ZPRZTWUBYCMTFM-UHFFFAOYSA-N 1 2 360.377 2.454 20 5 FEBDLO CCCc1n[nH]c(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000609473566 568255490 /nfs/dbraw/zinc/25/54/90/568255490.db2.gz KTKKYUAWWYCVOU-UHFFFAOYSA-N 1 2 368.397 2.445 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000564441552 675019424 /nfs/dbraw/zinc/01/94/24/675019424.db2.gz DDLUINCUSMEERB-HNNXBMFYSA-N 1 2 350.419 2.390 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000564441552 675019426 /nfs/dbraw/zinc/01/94/26/675019426.db2.gz DDLUINCUSMEERB-HNNXBMFYSA-N 1 2 350.419 2.390 20 5 FEBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000609873358 675940642 /nfs/dbraw/zinc/94/06/42/675940642.db2.gz FUMPWDASHRANPE-HNNXBMFYSA-N 1 2 353.806 2.185 20 5 FEBDLO Cc1c(Br)c(SC[C@@H]2C[N@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000583319621 672084154 /nfs/dbraw/zinc/08/41/54/672084154.db2.gz YXSOOCSQZNEHLC-VIFPVBQESA-N 1 2 362.249 2.483 20 5 FEBDLO Cc1c(Br)c(SC[C@@H]2C[N@@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000583319621 672084156 /nfs/dbraw/zinc/08/41/56/672084156.db2.gz YXSOOCSQZNEHLC-VIFPVBQESA-N 1 2 362.249 2.483 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000583992015 672145282 /nfs/dbraw/zinc/14/52/82/672145282.db2.gz KMRFMUMXQZPITB-GXTWGEPZSA-N 1 2 351.403 2.430 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000583992015 672145284 /nfs/dbraw/zinc/14/52/84/672145284.db2.gz KMRFMUMXQZPITB-GXTWGEPZSA-N 1 2 351.403 2.430 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000611281076 676029499 /nfs/dbraw/zinc/02/94/99/676029499.db2.gz IHJPBWQFVHSMDF-SNVBAGLBSA-N 1 2 356.429 2.098 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2nc3c(s2)CCC3)cc1 ZINC000612591618 676089506 /nfs/dbraw/zinc/08/95/06/676089506.db2.gz HOXYBQQHSYTPGZ-UHFFFAOYSA-N 1 2 367.452 2.104 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000595068998 673190584 /nfs/dbraw/zinc/19/05/84/673190584.db2.gz LZAAUIGHSIQQKC-UONOGXRCSA-N 1 2 352.341 2.432 20 5 FEBDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)CO1 ZINC000596454208 673386227 /nfs/dbraw/zinc/38/62/27/673386227.db2.gz PPRCYXKBCUHTRE-WDEREUQCSA-N 1 2 356.810 2.479 20 5 FEBDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)CO1 ZINC000596454208 673386230 /nfs/dbraw/zinc/38/62/30/673386230.db2.gz PPRCYXKBCUHTRE-WDEREUQCSA-N 1 2 356.810 2.479 20 5 FEBDLO CSc1cccc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000597707834 673501178 /nfs/dbraw/zinc/50/11/78/673501178.db2.gz TUVUFMVJNAQQFP-CYBMUJFWSA-N 1 2 365.455 2.254 20 5 FEBDLO CC[N@@H+]1CC[C@@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000542120881 673562355 /nfs/dbraw/zinc/56/23/55/673562355.db2.gz DOLAYQWTJUQACT-WDEREUQCSA-N 1 2 361.489 2.369 20 5 FEBDLO CC[N@H+]1CC[C@@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000542120881 673562357 /nfs/dbraw/zinc/56/23/57/673562357.db2.gz DOLAYQWTJUQACT-WDEREUQCSA-N 1 2 361.489 2.369 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)c1 ZINC000742238384 673715560 /nfs/dbraw/zinc/71/55/60/673715560.db2.gz WFTSFMAPXYKHEM-UHFFFAOYSA-N 1 2 357.357 2.405 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)c1 ZINC000742238384 673715563 /nfs/dbraw/zinc/71/55/63/673715563.db2.gz WFTSFMAPXYKHEM-UHFFFAOYSA-N 1 2 357.357 2.405 20 5 FEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000823252651 675539434 /nfs/dbraw/zinc/53/94/34/675539434.db2.gz DYUSKTZGXITKIL-MNOVXSKESA-N 1 2 356.810 2.479 20 5 FEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000823252651 675539437 /nfs/dbraw/zinc/53/94/37/675539437.db2.gz DYUSKTZGXITKIL-MNOVXSKESA-N 1 2 356.810 2.479 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H](n2ccnn2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823468058 675555157 /nfs/dbraw/zinc/55/51/57/675555157.db2.gz AVHYRUOTIOUFDB-GFCCVEGCSA-N 1 2 364.793 2.115 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H](n2ccnn2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823468058 675555159 /nfs/dbraw/zinc/55/51/59/675555159.db2.gz AVHYRUOTIOUFDB-GFCCVEGCSA-N 1 2 364.793 2.115 20 5 FEBDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000839720190 680774361 /nfs/dbraw/zinc/77/43/61/680774361.db2.gz IRWBHNVPGDLFSV-RAEVTNRLSA-N 1 2 353.369 2.270 20 5 FEBDLO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000839720190 680774362 /nfs/dbraw/zinc/77/43/62/680774362.db2.gz IRWBHNVPGDLFSV-RAEVTNRLSA-N 1 2 353.369 2.270 20 5 FEBDLO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000840471870 680825853 /nfs/dbraw/zinc/82/58/53/680825853.db2.gz CWXGNTBMGWJWNG-TZMCWYRMSA-N 1 2 353.806 2.417 20 5 FEBDLO CNc1c(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000765559018 680846561 /nfs/dbraw/zinc/84/65/61/680846561.db2.gz VFMGYZXTDBBCHX-UHFFFAOYSA-N 1 2 356.373 2.438 20 5 FEBDLO CNc1c(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000765559018 680846562 /nfs/dbraw/zinc/84/65/62/680846562.db2.gz VFMGYZXTDBBCHX-UHFFFAOYSA-N 1 2 356.373 2.438 20 5 FEBDLO CCc1cnc(N2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000749692110 680066902 /nfs/dbraw/zinc/06/69/02/680066902.db2.gz POYUBYWQAYPNQT-MRXNPFEDSA-N 1 2 362.455 2.469 20 5 FEBDLO CC1(C)C[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CCS1 ZINC000751599821 680189144 /nfs/dbraw/zinc/18/91/44/680189144.db2.gz URVUPFNMWDVYNY-UHFFFAOYSA-N 1 2 364.427 2.148 20 5 FEBDLO CC1(C)C[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CCS1 ZINC000751599821 680189145 /nfs/dbraw/zinc/18/91/45/680189145.db2.gz URVUPFNMWDVYNY-UHFFFAOYSA-N 1 2 364.427 2.148 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000981136889 680216891 /nfs/dbraw/zinc/21/68/91/680216891.db2.gz KMIVADMMRHGWAH-IUODEOHRSA-N 1 2 355.797 2.179 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000981136889 680216896 /nfs/dbraw/zinc/21/68/96/680216896.db2.gz KMIVADMMRHGWAH-IUODEOHRSA-N 1 2 355.797 2.179 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(F)cc2Cl)CC1 ZINC000981137354 680217210 /nfs/dbraw/zinc/21/72/10/680217210.db2.gz QTDDOBJWWAEVGQ-UKRRQHHQSA-N 1 2 355.797 2.179 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(F)cc2Cl)CC1 ZINC000981137354 680217211 /nfs/dbraw/zinc/21/72/11/680217211.db2.gz QTDDOBJWWAEVGQ-UKRRQHHQSA-N 1 2 355.797 2.179 20 5 FEBDLO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@H+](C/C(Cl)=C\Cl)C2 ZINC000982278835 680274661 /nfs/dbraw/zinc/27/46/61/680274661.db2.gz SLRKHYGOTGOEMO-KDEOZPECSA-N 1 2 362.257 2.141 20 5 FEBDLO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](C/C(Cl)=C\Cl)C2 ZINC000982278835 680274662 /nfs/dbraw/zinc/27/46/62/680274662.db2.gz SLRKHYGOTGOEMO-KDEOZPECSA-N 1 2 362.257 2.141 20 5 FEBDLO Cn1cc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c(Cl)n1 ZINC000835458499 680335024 /nfs/dbraw/zinc/33/50/24/680335024.db2.gz QYPJGKZSEXVOKJ-ZDUSSCGKSA-N 1 2 364.789 2.413 20 5 FEBDLO Cn1cc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c(Cl)n1 ZINC000835458499 680335030 /nfs/dbraw/zinc/33/50/30/680335030.db2.gz QYPJGKZSEXVOKJ-ZDUSSCGKSA-N 1 2 364.789 2.413 20 5 FEBDLO O=C(NCCc1[nH]cc[nH+]1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000755000597 680393556 /nfs/dbraw/zinc/39/35/56/680393556.db2.gz IIUNPHDXDVZVHH-UHFFFAOYSA-N 1 2 357.139 2.192 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C[NH+](Cc3sccc3Cl)C2)CC1 ZINC001035704624 680450931 /nfs/dbraw/zinc/45/09/31/680450931.db2.gz UYIZTDMICAQSPU-DGCLKSJQSA-N 1 2 369.874 2.491 20 5 FEBDLO CC[C@H]1C[N@H+](Cn2nccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000756909828 680504559 /nfs/dbraw/zinc/50/45/59/680504559.db2.gz MIELVUPDBVZGPD-STQMWFEESA-N 1 2 353.423 2.374 20 5 FEBDLO CC[C@H]1C[N@@H+](Cn2nccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000756909828 680504560 /nfs/dbraw/zinc/50/45/60/680504560.db2.gz MIELVUPDBVZGPD-STQMWFEESA-N 1 2 353.423 2.374 20 5 FEBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCCn1cc[nH+]c1 ZINC000772039843 681079926 /nfs/dbraw/zinc/07/99/26/681079926.db2.gz ZHLGRKFMPQWEOX-UHFFFAOYSA-N 1 2 351.384 2.387 20 5 FEBDLO C[C@@H](CC(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000845281087 681115653 /nfs/dbraw/zinc/11/56/53/681115653.db2.gz ZNYCNVIMAJROBZ-JTQLQIEISA-N 1 2 350.306 2.063 20 5 FEBDLO O=C(NCCCCn1cc[nH+]c1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848581213 681581857 /nfs/dbraw/zinc/58/18/57/681581857.db2.gz MLHUPCGJWWOEBZ-UHFFFAOYSA-N 1 2 354.313 2.360 20 5 FEBDLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)nn1 ZINC000783675324 682166110 /nfs/dbraw/zinc/16/61/10/682166110.db2.gz YZETYCKXLGVPDU-LLVKDONJSA-N 1 2 365.777 2.073 20 5 FEBDLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)nn1 ZINC000783675324 682166130 /nfs/dbraw/zinc/16/61/30/682166130.db2.gz YZETYCKXLGVPDU-LLVKDONJSA-N 1 2 365.777 2.073 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)[C@@H]1C ZINC000787237002 682443997 /nfs/dbraw/zinc/44/39/97/682443997.db2.gz FAEJLGIXVCQICD-BXKDBHETSA-N 1 2 352.778 2.439 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)[C@@H]1C ZINC000787237002 682443999 /nfs/dbraw/zinc/44/39/99/682443999.db2.gz FAEJLGIXVCQICD-BXKDBHETSA-N 1 2 352.778 2.439 20 5 FEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](CCO)Cc2cccnc2Cl)c1 ZINC000796562444 683171684 /nfs/dbraw/zinc/17/16/84/683171684.db2.gz VTZAULJWXCOCMG-HNNXBMFYSA-N 1 2 351.790 2.171 20 5 FEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](CCO)Cc2cccnc2Cl)c1 ZINC000796562444 683171687 /nfs/dbraw/zinc/17/16/87/683171687.db2.gz VTZAULJWXCOCMG-HNNXBMFYSA-N 1 2 351.790 2.171 20 5 FEBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927771482 683309457 /nfs/dbraw/zinc/30/94/57/683309457.db2.gz RHOBKFLUZSWFKI-UHFFFAOYSA-N 1 2 363.443 2.109 20 5 FEBDLO CN1C[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2Br)CCC1=O ZINC000930565178 683754091 /nfs/dbraw/zinc/75/40/91/683754091.db2.gz SSVDEKHOJDMAMR-LBPRGKRZSA-N 1 2 356.220 2.410 20 5 FEBDLO CN1C[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Br)CCC1=O ZINC000930565178 683754096 /nfs/dbraw/zinc/75/40/96/683754096.db2.gz SSVDEKHOJDMAMR-LBPRGKRZSA-N 1 2 356.220 2.410 20 5 FEBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925251895 684544501 /nfs/dbraw/zinc/54/45/01/684544501.db2.gz GUONOWFJTOJUCP-HIFRSBDPSA-N 1 2 350.419 2.066 20 5 FEBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925251895 684544503 /nfs/dbraw/zinc/54/45/03/684544503.db2.gz GUONOWFJTOJUCP-HIFRSBDPSA-N 1 2 350.419 2.066 20 5 FEBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000875459192 686016572 /nfs/dbraw/zinc/01/65/72/686016572.db2.gz SOWFDMGAUXDSSO-KGLIPLIRSA-N 1 2 350.419 2.066 20 5 FEBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000875459192 686016579 /nfs/dbraw/zinc/01/65/79/686016579.db2.gz SOWFDMGAUXDSSO-KGLIPLIRSA-N 1 2 350.419 2.066 20 5 FEBDLO O=C(C[NH+]1CCC2(CC1)COCCO2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000880542289 687059277 /nfs/dbraw/zinc/05/92/77/687059277.db2.gz UXUMKJMNXFWXRI-UHFFFAOYSA-N 1 2 369.805 2.068 20 5 FEBDLO CC[N@@H+]1CC[C@@H]1CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000882961603 687534285 /nfs/dbraw/zinc/53/42/85/687534285.db2.gz RRLXCAMEDIXATP-CYBMUJFWSA-N 1 2 363.805 2.300 20 5 FEBDLO CC[N@H+]1CC[C@@H]1CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000882961603 687534289 /nfs/dbraw/zinc/53/42/89/687534289.db2.gz RRLXCAMEDIXATP-CYBMUJFWSA-N 1 2 363.805 2.300 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c2c(c1)COCO2 ZINC000886795382 688313588 /nfs/dbraw/zinc/31/35/88/688313588.db2.gz RVNQETWCPWPWAL-AWEZNQCLSA-N 1 2 362.304 2.208 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c2c(c1)COCO2 ZINC000886795382 688313594 /nfs/dbraw/zinc/31/35/94/688313594.db2.gz RVNQETWCPWPWAL-AWEZNQCLSA-N 1 2 362.304 2.208 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c1 ZINC000886813999 688318051 /nfs/dbraw/zinc/31/80/51/688318051.db2.gz ZNNRYXQHCROETA-AWEZNQCLSA-N 1 2 362.304 2.128 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c1 ZINC000886813999 688318054 /nfs/dbraw/zinc/31/80/54/688318054.db2.gz ZNNRYXQHCROETA-AWEZNQCLSA-N 1 2 362.304 2.128 20 5 FEBDLO COc1c(O)ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000894124728 689471183 /nfs/dbraw/zinc/47/11/83/689471183.db2.gz OSGNFLZIQQCJJS-XWCIJXRUSA-N 1 2 352.387 2.077 20 5 FEBDLO COc1c(O)ccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000894124728 689471189 /nfs/dbraw/zinc/47/11/89/689471189.db2.gz OSGNFLZIQQCJJS-XWCIJXRUSA-N 1 2 352.387 2.077 20 5 FEBDLO COc1cc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000895841686 689779107 /nfs/dbraw/zinc/77/91/07/689779107.db2.gz AQNXFAUISRAWDV-CQSZACIVSA-N 1 2 364.320 2.359 20 5 FEBDLO COc1cc(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000895841686 689779112 /nfs/dbraw/zinc/77/91/12/689779112.db2.gz AQNXFAUISRAWDV-CQSZACIVSA-N 1 2 364.320 2.359 20 5 FEBDLO O=C(C[NH+]1CCN(c2ccccc2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000025422531 539760045 /nfs/dbraw/zinc/76/00/45/539760045.db2.gz WAXHFIWYCKUVAT-UHFFFAOYSA-N 1 2 366.421 2.306 20 5 FEBDLO COC(=O)c1oc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1C ZINC000026595113 539790529 /nfs/dbraw/zinc/79/05/29/539790529.db2.gz VRWTXBAEHKFEGM-UHFFFAOYSA-N 1 2 360.370 2.000 20 5 FEBDLO CCOc1ccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000032298236 539934369 /nfs/dbraw/zinc/93/43/69/539934369.db2.gz KPOGMAGYGHWAIK-INIZCTEOSA-N 1 2 365.430 2.080 20 5 FEBDLO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000033243615 539972092 /nfs/dbraw/zinc/97/20/92/539972092.db2.gz WAFGLJVEHLEVCF-HNNXBMFYSA-N 1 2 355.822 2.335 20 5 FEBDLO Cc1c(NC(=O)CC[NH+]2CCN(CC(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000041896746 540038994 /nfs/dbraw/zinc/03/89/94/540038994.db2.gz LTZNWCDYPFNWAE-UHFFFAOYSA-N 1 2 374.363 2.412 20 5 FEBDLO CCCNC(=O)C1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000042685489 540073789 /nfs/dbraw/zinc/07/37/89/540073789.db2.gz WPDLDKSIRIUDIW-UHFFFAOYSA-N 1 2 362.430 2.080 20 5 FEBDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000044735649 540138769 /nfs/dbraw/zinc/13/87/69/540138769.db2.gz DJNZNKDYUNKYAD-AWEZNQCLSA-N 1 2 364.421 2.257 20 5 FEBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000046341258 540252725 /nfs/dbraw/zinc/25/27/25/540252725.db2.gz HRJPIBVYMLMDNR-KBPBESRZSA-N 1 2 373.413 2.039 20 5 FEBDLO O=C(C[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1)N1CCCCCC1 ZINC000049980489 540396186 /nfs/dbraw/zinc/39/61/86/540396186.db2.gz BOCPQECAIZTMLO-UHFFFAOYSA-N 1 2 364.421 2.259 20 5 FEBDLO COCC[NH+](CCOC)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000053782034 540553747 /nfs/dbraw/zinc/55/37/47/540553747.db2.gz OPDRXQZUMBIANO-UHFFFAOYSA-N 1 2 364.345 2.300 20 5 FEBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000054722955 540605972 /nfs/dbraw/zinc/60/59/72/540605972.db2.gz IUKZKMHWLVKGIJ-UHFFFAOYSA-N 1 2 369.425 2.014 20 5 FEBDLO CCC[N@H+](CC(=O)NC)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000056508670 540730683 /nfs/dbraw/zinc/73/06/83/540730683.db2.gz UUJULMNUVAUCEY-UHFFFAOYSA-N 1 2 361.345 2.163 20 5 FEBDLO CCC[N@@H+](CC(=O)NC)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000056508670 540730686 /nfs/dbraw/zinc/73/06/86/540730686.db2.gz UUJULMNUVAUCEY-UHFFFAOYSA-N 1 2 361.345 2.163 20 5 FEBDLO Nc1c(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000058273552 540837279 /nfs/dbraw/zinc/83/72/79/540837279.db2.gz IWVGTSJRYZEOEL-UHFFFAOYSA-N 1 2 359.361 2.110 20 5 FEBDLO CCCNC(=O)C[N@H+](CCC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000063525757 541172636 /nfs/dbraw/zinc/17/26/36/541172636.db2.gz VICJUOUAXHOQQQ-UHFFFAOYSA-N 1 2 350.419 2.080 20 5 FEBDLO CCCNC(=O)C[N@@H+](CCC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000063525757 541172639 /nfs/dbraw/zinc/17/26/39/541172639.db2.gz VICJUOUAXHOQQQ-UHFFFAOYSA-N 1 2 350.419 2.080 20 5 FEBDLO CCN1CC[NH+](Cc2ccc(NC(=O)c3n[nH]c(C)c3[N+](=O)[O-])cc2)CC1 ZINC000064336701 541202024 /nfs/dbraw/zinc/20/20/24/541202024.db2.gz QZWGQDZNUFETQA-UHFFFAOYSA-N 1 2 372.429 2.016 20 5 FEBDLO CC(C)NC(=O)c1ccc(NC[C@H]2C[N@@H+](C3CC3)CCO2)c([N+](=O)[O-])c1 ZINC000066745773 541368401 /nfs/dbraw/zinc/36/84/01/541368401.db2.gz NJUXWTVGCAFFBY-HNNXBMFYSA-N 1 2 362.430 2.008 20 5 FEBDLO CC(C)NC(=O)c1ccc(NC[C@H]2C[N@H+](C3CC3)CCO2)c([N+](=O)[O-])c1 ZINC000066745773 541368404 /nfs/dbraw/zinc/36/84/04/541368404.db2.gz NJUXWTVGCAFFBY-HNNXBMFYSA-N 1 2 362.430 2.008 20 5 FEBDLO O=C(CNc1ccccc1[N+](=O)[O-])NC1CCN(c2cccc[nH+]2)CC1 ZINC000067293129 541441472 /nfs/dbraw/zinc/44/14/72/541441472.db2.gz NCGTZZHUAOWZBA-UHFFFAOYSA-N 1 2 355.398 2.187 20 5 FEBDLO COC(=O)c1cc(C(=O)NCC[NH+]2Cc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC000067744411 541507991 /nfs/dbraw/zinc/50/79/91/541507991.db2.gz COWUEVIHNCHJDI-UHFFFAOYSA-N 1 2 369.377 2.127 20 5 FEBDLO COc1ccc(CC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1[N+](=O)[O-] ZINC000067909749 541527522 /nfs/dbraw/zinc/52/75/22/541527522.db2.gz FDHWOAPPQWXDHG-UHFFFAOYSA-N 1 2 362.411 2.229 20 5 FEBDLO COc1ccc(CC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1[N+](=O)[O-] ZINC000067909749 541527525 /nfs/dbraw/zinc/52/75/25/541527525.db2.gz FDHWOAPPQWXDHG-UHFFFAOYSA-N 1 2 362.411 2.229 20 5 FEBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCc1cn2ccccc2[nH+]1 ZINC000069150337 541663027 /nfs/dbraw/zinc/66/30/27/541663027.db2.gz MKUUTELAZYXEDA-UHFFFAOYSA-N 1 2 355.354 2.121 20 5 FEBDLO Cc1ccc(NC(=O)C(=O)NCc2cn3c(cccc3C)[nH+]2)cc1[N+](=O)[O-] ZINC000069563853 541697428 /nfs/dbraw/zinc/69/74/28/541697428.db2.gz HFJRQGKPKODOHG-UHFFFAOYSA-N 1 2 367.365 2.114 20 5 FEBDLO O=[N+]([O-])c1cccc2ncnc(NCc3cc[nH+]c(N4CCOCC4)c3)c21 ZINC000544410648 541765397 /nfs/dbraw/zinc/76/53/97/541765397.db2.gz YATGSVYQFCOKDD-UHFFFAOYSA-N 1 2 366.381 2.382 20 5 FEBDLO CCCNC(=O)C[N@H+](CCC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000053366422 221046288 /nfs/dbraw/zinc/04/62/88/221046288.db2.gz QBGMEDANABQWRG-UHFFFAOYSA-N 1 2 370.837 2.425 20 5 FEBDLO CCCNC(=O)C[N@@H+](CCC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000053366422 221046290 /nfs/dbraw/zinc/04/62/90/221046290.db2.gz QBGMEDANABQWRG-UHFFFAOYSA-N 1 2 370.837 2.425 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000055417506 221069796 /nfs/dbraw/zinc/06/97/96/221069796.db2.gz VBABYUWDXCHFAE-OKILXGFUSA-N 1 2 373.413 2.039 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000055417506 221069798 /nfs/dbraw/zinc/06/97/98/221069798.db2.gz VBABYUWDXCHFAE-OKILXGFUSA-N 1 2 373.413 2.039 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000080539741 542593449 /nfs/dbraw/zinc/59/34/49/542593449.db2.gz PNNJCCFOUZGYHM-UHFFFAOYSA-N 1 2 360.458 2.428 20 5 FEBDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000088595347 542754015 /nfs/dbraw/zinc/75/40/15/542754015.db2.gz UORILALJYFDMCZ-HZPDHXFCSA-N 1 2 360.458 2.284 20 5 FEBDLO C[C@H](C(=O)N1CCCC1)N1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000088595347 542754016 /nfs/dbraw/zinc/75/40/16/542754016.db2.gz UORILALJYFDMCZ-HZPDHXFCSA-N 1 2 360.458 2.284 20 5 FEBDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000088594637 542754065 /nfs/dbraw/zinc/75/40/65/542754065.db2.gz ITPCDTFHLYOFQH-HZPDHXFCSA-N 1 2 360.458 2.284 20 5 FEBDLO C[C@H](C(=O)N1CCCC1)N1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000088594637 542754067 /nfs/dbraw/zinc/75/40/67/542754067.db2.gz ITPCDTFHLYOFQH-HZPDHXFCSA-N 1 2 360.458 2.284 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000093608065 542934843 /nfs/dbraw/zinc/93/48/43/542934843.db2.gz XIBDAUDJOFTPHW-UHFFFAOYSA-N 1 2 369.377 2.282 20 5 FEBDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093771321 542940366 /nfs/dbraw/zinc/94/03/66/542940366.db2.gz HVXDFHKYJZDCID-MRXNPFEDSA-N 1 2 357.414 2.096 20 5 FEBDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093771321 542940369 /nfs/dbraw/zinc/94/03/69/542940369.db2.gz HVXDFHKYJZDCID-MRXNPFEDSA-N 1 2 357.414 2.096 20 5 FEBDLO CC(C)(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)n1cc([N+](=O)[O-])cn1 ZINC000102232696 543063790 /nfs/dbraw/zinc/06/37/90/543063790.db2.gz VEKRCMWZNLWULE-UHFFFAOYSA-N 1 2 372.429 2.228 20 5 FEBDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116272155 543606123 /nfs/dbraw/zinc/60/61/23/543606123.db2.gz UVYQADPFTOSIGO-CYBMUJFWSA-N 1 2 368.865 2.281 20 5 FEBDLO O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000120801933 543685031 /nfs/dbraw/zinc/68/50/31/543685031.db2.gz WJECEWWVYINKDS-RHSMWYFYSA-N 1 2 356.382 2.468 20 5 FEBDLO Cn1c[nH+]cc1CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000121558620 543696393 /nfs/dbraw/zinc/69/63/93/543696393.db2.gz FKRQWOMOBWGVRZ-UHFFFAOYSA-N 1 2 352.778 2.110 20 5 FEBDLO Cc1sc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000123483367 543764509 /nfs/dbraw/zinc/76/45/09/543764509.db2.gz MWZFNWCFIXTZLO-UHFFFAOYSA-N 1 2 356.429 2.187 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)Cc1c[nH]c3ccc([N+](=O)[O-])cc13)C2 ZINC000124519850 543826868 /nfs/dbraw/zinc/82/68/68/543826868.db2.gz XLTBSLACXTZAKM-ZDUSSCGKSA-N 1 2 353.382 2.255 20 5 FEBDLO Cc1ccc(CN2CC[NH+](CC(=O)N3CCCCCC3)CC2)cc1[N+](=O)[O-] ZINC000127900674 544020453 /nfs/dbraw/zinc/02/04/53/544020453.db2.gz MLQSYQOEOPSGGU-UHFFFAOYSA-N 1 2 374.485 2.423 20 5 FEBDLO Cc1ccc(C[NH+]2CCN(CC(=O)N3CCCCCC3)CC2)cc1[N+](=O)[O-] ZINC000127900674 544020456 /nfs/dbraw/zinc/02/04/56/544020456.db2.gz MLQSYQOEOPSGGU-UHFFFAOYSA-N 1 2 374.485 2.423 20 5 FEBDLO CCCc1[nH]nc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1[N+](=O)[O-] ZINC000134667405 544317896 /nfs/dbraw/zinc/31/78/96/544317896.db2.gz NYZDOGMWWCTYKN-UHFFFAOYSA-N 1 2 374.401 2.063 20 5 FEBDLO COC(=O)[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000152498371 544661821 /nfs/dbraw/zinc/66/18/21/544661821.db2.gz LHKBYGAZFJWDST-HNNXBMFYSA-N 1 2 351.403 2.409 20 5 FEBDLO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153119853 544735498 /nfs/dbraw/zinc/73/54/98/544735498.db2.gz SFLJKLNDIOWJKB-GFCCVEGCSA-N 1 2 368.393 2.079 20 5 FEBDLO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153119853 544735502 /nfs/dbraw/zinc/73/55/02/544735502.db2.gz SFLJKLNDIOWJKB-GFCCVEGCSA-N 1 2 368.393 2.079 20 5 FEBDLO C[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)Cn1cc[nH+]c1 ZINC000153801927 544826348 /nfs/dbraw/zinc/82/63/48/544826348.db2.gz HFKUJWPFIQVCOP-ZDUSSCGKSA-N 1 2 354.370 2.043 20 5 FEBDLO Cc1nc(CN2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)oc1C ZINC000155018741 544978368 /nfs/dbraw/zinc/97/83/68/544978368.db2.gz QHZTUDWXRPILEE-UHFFFAOYSA-N 1 2 360.414 2.396 20 5 FEBDLO CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000183382585 327814462 /nfs/dbraw/zinc/81/44/62/327814462.db2.gz DETVWCWYGMJECN-WMLDXEAASA-N 1 2 358.398 2.404 20 5 FEBDLO C[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000185339945 327912159 /nfs/dbraw/zinc/91/21/59/327912159.db2.gz VQDAVJGRPVWFLZ-DZGCQCFKSA-N 1 2 365.405 2.161 20 5 FEBDLO COCCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000189740435 328165405 /nfs/dbraw/zinc/16/54/05/328165405.db2.gz GKDFXAGLAKSOPD-YPMHNXCESA-N 1 2 371.821 2.313 20 5 FEBDLO COCCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000189740435 328165406 /nfs/dbraw/zinc/16/54/06/328165406.db2.gz GKDFXAGLAKSOPD-YPMHNXCESA-N 1 2 371.821 2.313 20 5 FEBDLO CCc1n[nH]c(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000192559226 328325495 /nfs/dbraw/zinc/32/54/95/328325495.db2.gz VSLIAPNBRRRXEW-CYBMUJFWSA-N 1 2 357.414 2.227 20 5 FEBDLO CCc1n[nH]c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000192559226 328325496 /nfs/dbraw/zinc/32/54/96/328325496.db2.gz VSLIAPNBRRRXEW-CYBMUJFWSA-N 1 2 357.414 2.227 20 5 FEBDLO CCc1[nH]nc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000192559226 328325497 /nfs/dbraw/zinc/32/54/97/328325497.db2.gz VSLIAPNBRRRXEW-CYBMUJFWSA-N 1 2 357.414 2.227 20 5 FEBDLO CCc1[nH]nc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000192559226 328325498 /nfs/dbraw/zinc/32/54/98/328325498.db2.gz VSLIAPNBRRRXEW-CYBMUJFWSA-N 1 2 357.414 2.227 20 5 FEBDLO Cc1cnn(-c2cc[nH+]cc2NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000194624896 328433145 /nfs/dbraw/zinc/43/31/45/328433145.db2.gz NBQCUCSONJAJDQ-UHFFFAOYSA-N 1 2 373.394 2.426 20 5 FEBDLO Cc1ccc(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)cc1[N+](=O)[O-] ZINC000046717977 324614576 /nfs/dbraw/zinc/61/45/76/324614576.db2.gz JMQDWKDQVROFHE-AWEZNQCLSA-N 1 2 370.409 2.453 20 5 FEBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000056654003 324810193 /nfs/dbraw/zinc/81/01/93/324810193.db2.gz YJVOZFYENHTVSD-UHFFFAOYSA-N 1 2 366.381 2.172 20 5 FEBDLO Cc1ccn2cc(CNS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH+]c2c1 ZINC000079911652 325109869 /nfs/dbraw/zinc/10/98/69/325109869.db2.gz QXUANKBNOSMAKJ-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO O=[N+]([O-])c1cccc(OCCN2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000081018958 325154575 /nfs/dbraw/zinc/15/45/75/325154575.db2.gz DCHMFHWTEJERPV-UHFFFAOYSA-N 1 2 357.410 2.497 20 5 FEBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000119004830 326117684 /nfs/dbraw/zinc/11/76/84/326117684.db2.gz QCBXWVWNCVNWNW-HNNXBMFYSA-N 1 2 355.398 2.110 20 5 FEBDLO Cn1cc(N2CC[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cn1 ZINC000119246667 326141181 /nfs/dbraw/zinc/14/11/81/326141181.db2.gz ATXLGTHHHWTFDT-UHFFFAOYSA-N 1 2 368.397 2.306 20 5 FEBDLO Cc1cc[nH+]c(N2CCN(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000119965765 326216757 /nfs/dbraw/zinc/21/67/57/326216757.db2.gz YHCKRKCHECJFID-UHFFFAOYSA-N 1 2 369.425 2.083 20 5 FEBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000126087846 326482931 /nfs/dbraw/zinc/48/29/31/326482931.db2.gz LHIGQHOPIHLYKB-CQSZACIVSA-N 1 2 350.400 2.375 20 5 FEBDLO Nc1c(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cc(F)cc1[N+](=O)[O-] ZINC000131212894 326570230 /nfs/dbraw/zinc/57/02/30/326570230.db2.gz MRDKTAOJOAOTLC-GFCCVEGCSA-N 1 2 359.361 2.110 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)cnc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000153613296 326737737 /nfs/dbraw/zinc/73/77/37/326737737.db2.gz UVTLPNOTAXSXKA-CQSZACIVSA-N 1 2 358.851 2.263 20 5 FEBDLO COc1cc(C(=O)N2CC[NH+](Cc3c(C)noc3C)CC2)ccc1[N+](=O)[O-] ZINC000160260003 326959387 /nfs/dbraw/zinc/95/93/87/326959387.db2.gz XLNNZRTUQFPWPG-UHFFFAOYSA-N 1 2 374.397 2.166 20 5 FEBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000164372001 327069127 /nfs/dbraw/zinc/06/91/27/327069127.db2.gz KXLWKLWEVPLEEP-HNNXBMFYSA-N 1 2 364.427 2.417 20 5 FEBDLO CSc1ccc(C(=O)NCC[N@@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000170866574 327104131 /nfs/dbraw/zinc/10/41/31/327104131.db2.gz PDRGAMBYFKNFEI-UHFFFAOYSA-N 1 2 353.444 2.157 20 5 FEBDLO CSc1ccc(C(=O)NCC[N@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000170866574 327104132 /nfs/dbraw/zinc/10/41/32/327104132.db2.gz PDRGAMBYFKNFEI-UHFFFAOYSA-N 1 2 353.444 2.157 20 5 FEBDLO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)nc2)C1 ZINC000273314883 329855137 /nfs/dbraw/zinc/85/51/37/329855137.db2.gz JBWMOLYELNWTRF-CQSZACIVSA-N 1 2 371.397 2.088 20 5 FEBDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)s1 ZINC000273434488 329864665 /nfs/dbraw/zinc/86/46/65/329864665.db2.gz YAZJKLPRJYQJRB-SECBINFHSA-N 1 2 364.383 2.378 20 5 FEBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000273455919 329866523 /nfs/dbraw/zinc/86/65/23/329866523.db2.gz APBSLGPVZXXNJX-UHFFFAOYSA-N 1 2 350.400 2.027 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](C2CCCC2)CC1 ZINC000276053534 330115005 /nfs/dbraw/zinc/11/50/05/330115005.db2.gz JGWGLEKHTQPFKA-UHFFFAOYSA-N 1 2 353.444 2.063 20 5 FEBDLO CCOc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000367085237 330215334 /nfs/dbraw/zinc/21/53/34/330215334.db2.gz PLWVAZKVLAVKJF-OAHLLOKOSA-N 1 2 356.382 2.175 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(CC(=O)NCc2ccc(N(C)C)[nH+]c2)c1F ZINC000411383527 330256231 /nfs/dbraw/zinc/25/62/31/330256231.db2.gz GLOMNPNPTKQFCA-UHFFFAOYSA-N 1 2 362.361 2.062 20 5 FEBDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000477284657 561141124 /nfs/dbraw/zinc/14/11/24/561141124.db2.gz VUKQPOPMITXKCZ-ZBFHGGJFSA-N 1 2 366.414 2.141 20 5 FEBDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000477284657 561141125 /nfs/dbraw/zinc/14/11/25/561141125.db2.gz VUKQPOPMITXKCZ-ZBFHGGJFSA-N 1 2 366.414 2.141 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+](C)CCc2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000157645360 545765139 /nfs/dbraw/zinc/76/51/39/545765139.db2.gz AHMDYGSBKSJEKV-UHFFFAOYSA-N 1 2 364.427 2.481 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+](C)CCc2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000157645360 545765143 /nfs/dbraw/zinc/76/51/43/545765143.db2.gz AHMDYGSBKSJEKV-UHFFFAOYSA-N 1 2 364.427 2.481 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161158708 546106242 /nfs/dbraw/zinc/10/62/42/546106242.db2.gz ZJOMLEBAIRGNBU-HNNXBMFYSA-N 1 2 369.425 2.135 20 5 FEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc([N+](=O)[O-])nn1C)c1ccc(Cl)cc1 ZINC000481314445 561230564 /nfs/dbraw/zinc/23/05/64/561230564.db2.gz PIMLSTIBDKREEG-AWEZNQCLSA-N 1 2 374.788 2.235 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1C ZINC000481442898 561232859 /nfs/dbraw/zinc/23/28/59/561232859.db2.gz WXQNARZKJYSUMG-LLVKDONJSA-N 1 2 352.416 2.023 20 5 FEBDLO CC(C)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nc(C2CC2)no1 ZINC000179800875 547014505 /nfs/dbraw/zinc/01/45/05/547014505.db2.gz NEWCFSAQRIMFNF-AWEZNQCLSA-N 1 2 359.386 2.441 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC000483093038 561267089 /nfs/dbraw/zinc/26/70/89/561267089.db2.gz VJDHMOAZDQIWDK-JTQLQIEISA-N 1 2 360.292 2.050 20 5 FEBDLO CCN(CC)C(=O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182024527 547424195 /nfs/dbraw/zinc/42/41/95/547424195.db2.gz BQIPAGODZHYNGH-UHFFFAOYSA-N 1 2 368.865 2.234 20 5 FEBDLO C[C@@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000182286774 547468250 /nfs/dbraw/zinc/46/82/50/547468250.db2.gz ZRNAGYGRQLIWCR-GFCCVEGCSA-N 1 2 353.394 2.064 20 5 FEBDLO COc1cccc([C@H]2[C@H](NC(=O)c3n[nH]cc3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000183264216 547628766 /nfs/dbraw/zinc/62/87/66/547628766.db2.gz DHQGMBUVHIVOKX-PBHICJAKSA-N 1 2 371.397 2.034 20 5 FEBDLO COc1cccc([C@H]2[C@H](NC(=O)c3n[nH]cc3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000183264216 547628770 /nfs/dbraw/zinc/62/87/70/547628770.db2.gz DHQGMBUVHIVOKX-PBHICJAKSA-N 1 2 371.397 2.034 20 5 FEBDLO CCCC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OC ZINC000184268334 547797569 /nfs/dbraw/zinc/79/75/69/547797569.db2.gz ANHZQFQBQCBUCU-ZDUSSCGKSA-N 1 2 360.370 2.242 20 5 FEBDLO Cc1[nH+]c2ccccc2c(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1C(C)C ZINC000485676493 561325453 /nfs/dbraw/zinc/32/54/53/561325453.db2.gz WYCFEJPJTIZHHN-UHFFFAOYSA-N 1 2 354.370 2.227 20 5 FEBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186479128 548141808 /nfs/dbraw/zinc/14/18/08/548141808.db2.gz KSKZZRBZKIUHGD-UHFFFAOYSA-N 1 2 369.425 2.408 20 5 FEBDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000186611488 548159205 /nfs/dbraw/zinc/15/92/05/548159205.db2.gz FDBQEAQZPBCFEG-UHFFFAOYSA-N 1 2 372.381 2.104 20 5 FEBDLO CCO[C@@H]1C[C@H](Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1OC ZINC000486013618 561335189 /nfs/dbraw/zinc/33/51/89/561335189.db2.gz DSQOYNXZQRMXOC-ZMSDIMECSA-N 1 2 358.398 2.386 20 5 FEBDLO CSc1ccc(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000194720204 548520964 /nfs/dbraw/zinc/52/09/64/548520964.db2.gz YYIUVWUXHTUYQA-BETUJISGSA-N 1 2 367.471 2.498 20 5 FEBDLO CSc1ccc(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000194720204 548520970 /nfs/dbraw/zinc/52/09/70/548520970.db2.gz YYIUVWUXHTUYQA-BETUJISGSA-N 1 2 367.471 2.498 20 5 FEBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000194744741 548524854 /nfs/dbraw/zinc/52/48/54/548524854.db2.gz ZZHVCDDSQJBEEO-TXEJJXNPSA-N 1 2 355.822 2.429 20 5 FEBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000194744741 548524859 /nfs/dbraw/zinc/52/48/59/548524859.db2.gz ZZHVCDDSQJBEEO-TXEJJXNPSA-N 1 2 355.822 2.429 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000194908988 548547840 /nfs/dbraw/zinc/54/78/40/548547840.db2.gz UXYZQICZZPUNNQ-UHFFFAOYSA-N 1 2 353.444 2.157 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCOC(C)(C)C2)c1 ZINC000194908988 548547844 /nfs/dbraw/zinc/54/78/44/548547844.db2.gz UXYZQICZZPUNNQ-UHFFFAOYSA-N 1 2 353.444 2.157 20 5 FEBDLO COCCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000245810632 548997844 /nfs/dbraw/zinc/99/78/44/548997844.db2.gz CHUQYYOSDXLKJP-XJKSGUPXSA-N 1 2 351.403 2.049 20 5 FEBDLO COCCO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000245810632 548997848 /nfs/dbraw/zinc/99/78/48/548997848.db2.gz CHUQYYOSDXLKJP-XJKSGUPXSA-N 1 2 351.403 2.049 20 5 FEBDLO C[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000246415058 549127856 /nfs/dbraw/zinc/12/78/56/549127856.db2.gz LLELEKGDFAELIM-IHRRRGAJSA-N 1 2 350.419 2.064 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000246794702 549213996 /nfs/dbraw/zinc/21/39/96/549213996.db2.gz MTJVQZQFFLHOCR-DGCLKSJQSA-N 1 2 371.821 2.049 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](OCCO)C1 ZINC000246794702 549214000 /nfs/dbraw/zinc/21/40/00/549214000.db2.gz MTJVQZQFFLHOCR-DGCLKSJQSA-N 1 2 371.821 2.049 20 5 FEBDLO C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000248584374 549463255 /nfs/dbraw/zinc/46/32/55/549463255.db2.gz PPYSXYLQPQBZTO-XQQFMLRXSA-N 1 2 353.394 2.063 20 5 FEBDLO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCO[C@H]1C ZINC000489447936 561411578 /nfs/dbraw/zinc/41/15/78/561411578.db2.gz JIHKZFMNLPVKBM-NHYWBVRUSA-N 1 2 371.821 2.313 20 5 FEBDLO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCO[C@H]1C ZINC000489447936 561411579 /nfs/dbraw/zinc/41/15/79/561411579.db2.gz JIHKZFMNLPVKBM-NHYWBVRUSA-N 1 2 371.821 2.313 20 5 FEBDLO COCC[N@H+](Cc1scnc1C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000489483099 561412472 /nfs/dbraw/zinc/41/24/72/561412472.db2.gz QEZXHNICRBCURO-UHFFFAOYSA-N 1 2 364.427 2.107 20 5 FEBDLO COCC[N@@H+](Cc1scnc1C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000489483099 561412473 /nfs/dbraw/zinc/41/24/73/561412473.db2.gz QEZXHNICRBCURO-UHFFFAOYSA-N 1 2 364.427 2.107 20 5 FEBDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)[nH]1 ZINC000268482954 550074146 /nfs/dbraw/zinc/07/41/46/550074146.db2.gz OKBGBURGYSVXRO-CYBMUJFWSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)[nH]1 ZINC000268482954 550074148 /nfs/dbraw/zinc/07/41/48/550074148.db2.gz OKBGBURGYSVXRO-CYBMUJFWSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)n1 ZINC000268482954 550074150 /nfs/dbraw/zinc/07/41/50/550074150.db2.gz OKBGBURGYSVXRO-CYBMUJFWSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)n1 ZINC000268482954 550074153 /nfs/dbraw/zinc/07/41/53/550074153.db2.gz OKBGBURGYSVXRO-CYBMUJFWSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)n[nH]1 ZINC000268482954 550074154 /nfs/dbraw/zinc/07/41/54/550074154.db2.gz OKBGBURGYSVXRO-CYBMUJFWSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)n[nH]1 ZINC000268482954 550074156 /nfs/dbraw/zinc/07/41/56/550074156.db2.gz OKBGBURGYSVXRO-CYBMUJFWSA-N 1 2 369.385 2.451 20 5 FEBDLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)c1ccc([N+](=O)[O-])[nH]1 ZINC000492183257 561450085 /nfs/dbraw/zinc/45/00/85/561450085.db2.gz TVTCQBPHJZOTSI-UHFFFAOYSA-N 1 2 364.159 2.263 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N2CCN(C)c3[nH+]cccc32)cc1[N+](=O)[O-] ZINC000493058396 561454314 /nfs/dbraw/zinc/45/43/14/561454314.db2.gz SHHBPKXLCUOOFQ-UHFFFAOYSA-N 1 2 362.411 2.252 20 5 FEBDLO COCCCOCC[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271546963 550384495 /nfs/dbraw/zinc/38/44/95/550384495.db2.gz XPLQKKQSCHKITB-UHFFFAOYSA-N 1 2 350.375 2.130 20 5 FEBDLO COCCCOCC[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271546963 550384497 /nfs/dbraw/zinc/38/44/97/550384497.db2.gz XPLQKKQSCHKITB-UHFFFAOYSA-N 1 2 350.375 2.130 20 5 FEBDLO C[N@@H+]1CCc2nc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)sc2C1 ZINC000272248273 550431244 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ZINC000301163722 553627556 /nfs/dbraw/zinc/62/75/56/553627556.db2.gz CCZUCJAIRKOMPD-UHFFFAOYSA-N 1 2 368.397 2.415 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000301450049 553652828 /nfs/dbraw/zinc/65/28/28/553652828.db2.gz SNXTVSMJPFKKNF-SFHVURJKSA-N 1 2 354.410 2.252 20 5 FEBDLO C[C@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000301901658 553690452 /nfs/dbraw/zinc/69/04/52/553690452.db2.gz VTWSFKHLOCRPLA-JSGCOSHPSA-N 1 2 364.427 2.282 20 5 FEBDLO COCC[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC000302659910 553724653 /nfs/dbraw/zinc/72/46/53/553724653.db2.gz ICAGGBWVYBBCCR-UHFFFAOYSA-N 1 2 358.236 2.434 20 5 FEBDLO COc1ccccc1[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000505505226 561672430 /nfs/dbraw/zinc/67/24/30/561672430.db2.gz IJICGSVVXSTIOF-KRWDZBQOSA-N 1 2 373.384 2.458 20 5 FEBDLO COC(=O)[C@@H]1CC12CC[NH+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC2 ZINC000506251962 561694121 /nfs/dbraw/zinc/69/41/21/561694121.db2.gz ATVRQDCKJKWOBY-ZDUSSCGKSA-N 1 2 361.398 2.117 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000330693726 554158577 /nfs/dbraw/zinc/15/85/77/554158577.db2.gz CMRDASOLGYFJJI-XJKSGUPXSA-N 1 2 365.430 2.271 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000330693726 554158579 /nfs/dbraw/zinc/15/85/79/554158579.db2.gz CMRDASOLGYFJJI-XJKSGUPXSA-N 1 2 365.430 2.271 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330826756 554176080 /nfs/dbraw/zinc/17/60/80/554176080.db2.gz OZNPEPCJAOXXJZ-HZMBPMFUSA-N 1 2 361.320 2.311 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330826756 554176082 /nfs/dbraw/zinc/17/60/82/554176082.db2.gz OZNPEPCJAOXXJZ-HZMBPMFUSA-N 1 2 361.320 2.311 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000331668226 554305131 /nfs/dbraw/zinc/30/51/31/554305131.db2.gz RKIQQIUSIXOHEF-CYBMUJFWSA-N 1 2 374.445 2.115 20 5 FEBDLO CCOc1cc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000331856827 554331776 /nfs/dbraw/zinc/33/17/76/554331776.db2.gz AUUXCVAOGFRPID-USXIJHARSA-N 1 2 350.415 2.355 20 5 FEBDLO CCOc1cc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000331856827 554331778 /nfs/dbraw/zinc/33/17/78/554331778.db2.gz AUUXCVAOGFRPID-USXIJHARSA-N 1 2 350.415 2.355 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000332450846 554448195 /nfs/dbraw/zinc/44/81/95/554448195.db2.gz FOWSYOAZMUXAQV-AWEZNQCLSA-N 1 2 367.471 2.355 20 5 FEBDLO CNc1nc(-c2nc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000351090381 554836017 /nfs/dbraw/zinc/83/60/17/554836017.db2.gz MREJJPZCDDIHON-MFKMUULPSA-N 1 2 360.374 2.007 20 5 FEBDLO CNc1nc(-c2nc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000351090381 554836020 /nfs/dbraw/zinc/83/60/20/554836020.db2.gz MREJJPZCDDIHON-MFKMUULPSA-N 1 2 360.374 2.007 20 5 FEBDLO COc1cc(OCC(=O)N2CCC[C@H]2c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000360643893 554883411 /nfs/dbraw/zinc/88/34/11/554883411.db2.gz UVGBRTCJJVFQGP-AWEZNQCLSA-N 1 2 360.370 2.079 20 5 FEBDLO O=C([C@H]1CCCO1)N1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000363579862 555141096 /nfs/dbraw/zinc/14/10/96/555141096.db2.gz HTWRDLRCKQAUMW-MRXNPFEDSA-N 1 2 367.833 2.462 20 5 FEBDLO O=C([C@H]1CCCO1)N1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000363579862 555141098 /nfs/dbraw/zinc/14/10/98/555141098.db2.gz HTWRDLRCKQAUMW-MRXNPFEDSA-N 1 2 367.833 2.462 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCC(OCC3CC3)CC2)cc1 ZINC000363653423 555156147 /nfs/dbraw/zinc/15/61/47/555156147.db2.gz VABIUAZLNWQYLU-UHFFFAOYSA-N 1 2 368.455 2.260 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC[C@H](O)C(F)(F)F ZINC000512459311 561905863 /nfs/dbraw/zinc/90/58/63/561905863.db2.gz GEQQFTKKQVXXOV-AWEZNQCLSA-N 1 2 363.336 2.152 20 5 FEBDLO COC(=O)C[C@](C)([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(F)c1 ZINC000513150304 561927186 /nfs/dbraw/zinc/92/71/86/561927186.db2.gz PFBZHFRJKHSRNS-INIZCTEOSA-N 1 2 350.350 2.036 20 5 FEBDLO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365828953 555677453 /nfs/dbraw/zinc/67/74/53/555677453.db2.gz WKUSZBQXSFNERO-KGLIPLIRSA-N 1 2 367.358 2.046 20 5 FEBDLO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365828953 555677454 /nfs/dbraw/zinc/67/74/54/555677454.db2.gz WKUSZBQXSFNERO-KGLIPLIRSA-N 1 2 367.358 2.046 20 5 FEBDLO CCc1nnc(C[N@H+]2CC=C(c3cc(C)c(N)c([N+](=O)[O-])c3)CC2)n1C ZINC000365885557 555692542 /nfs/dbraw/zinc/69/25/42/555692542.db2.gz NWNHJBJVKPRJBM-UHFFFAOYSA-N 1 2 356.430 2.466 20 5 FEBDLO CCc1nnc(C[N@@H+]2CC=C(c3cc(C)c(N)c([N+](=O)[O-])c3)CC2)n1C ZINC000365885557 555692544 /nfs/dbraw/zinc/69/25/44/555692544.db2.gz NWNHJBJVKPRJBM-UHFFFAOYSA-N 1 2 356.430 2.466 20 5 FEBDLO CCS(=O)(=O)CC[N@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000365887722 555692855 /nfs/dbraw/zinc/69/28/55/555692855.db2.gz YNUNJCDRTITKLU-UHFFFAOYSA-N 1 2 353.444 2.009 20 5 FEBDLO CCS(=O)(=O)CC[N@@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000365887722 555692857 /nfs/dbraw/zinc/69/28/57/555692857.db2.gz YNUNJCDRTITKLU-UHFFFAOYSA-N 1 2 353.444 2.009 20 5 FEBDLO Cn1ccnc1[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000513661844 561946166 /nfs/dbraw/zinc/94/61/66/561946166.db2.gz REIDKZAKGXFSHX-MRXNPFEDSA-N 1 2 359.430 2.312 20 5 FEBDLO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000366388899 555830781 /nfs/dbraw/zinc/83/07/81/555830781.db2.gz SYZSBZVICBJKPE-AWEZNQCLSA-N 1 2 356.444 2.263 20 5 FEBDLO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000366388899 555830785 /nfs/dbraw/zinc/83/07/85/555830785.db2.gz SYZSBZVICBJKPE-AWEZNQCLSA-N 1 2 356.444 2.263 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000366570837 555878820 /nfs/dbraw/zinc/87/88/20/555878820.db2.gz GHHBNVVOLTUMCI-NSHDSACASA-N 1 2 354.370 2.283 20 5 FEBDLO COCCO[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000514070351 561959459 /nfs/dbraw/zinc/95/94/59/561959459.db2.gz UGQGCTSDGLQSQX-OAHLLOKOSA-N 1 2 374.397 2.048 20 5 FEBDLO O=[N+]([O-])c1cncc(Br)c1N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000367341247 556022711 /nfs/dbraw/zinc/02/27/11/556022711.db2.gz APUIINNQPLFLSL-SNVBAGLBSA-N 1 2 373.276 2.380 20 5 FEBDLO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367575192 556087505 /nfs/dbraw/zinc/08/75/05/556087505.db2.gz ZWDBDNYBWDKUOX-UHFFFAOYSA-N 1 2 356.382 2.090 20 5 FEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1ccccc1F ZINC000367787773 556139586 /nfs/dbraw/zinc/13/95/86/556139586.db2.gz ZBWWKUHJOIZEIK-HNNXBMFYSA-N 1 2 370.344 2.195 20 5 FEBDLO COc1ccc(NC(=O)C[NH+]2CCC([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000368335017 556280886 /nfs/dbraw/zinc/28/08/86/556280886.db2.gz XVMBKTPHMWDPID-AWEZNQCLSA-N 1 2 363.414 2.290 20 5 FEBDLO CCC(=O)N1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000515530743 562014223 /nfs/dbraw/zinc/01/42/23/562014223.db2.gz IQHGOSWTUIGVGO-UHFFFAOYSA-N 1 2 359.386 2.089 20 5 FEBDLO CCC(=O)N1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000515530743 562014224 /nfs/dbraw/zinc/01/42/24/562014224.db2.gz IQHGOSWTUIGVGO-UHFFFAOYSA-N 1 2 359.386 2.089 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCCC[C@H]3Cn3ccnn3)n2)c1 ZINC000369279579 556562938 /nfs/dbraw/zinc/56/29/38/556562938.db2.gz MAUNCYFFQFBSME-HNNXBMFYSA-N 1 2 369.385 2.291 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCCC[C@H]3Cn3ccnn3)n2)c1 ZINC000369279579 556562939 /nfs/dbraw/zinc/56/29/39/556562939.db2.gz MAUNCYFFQFBSME-HNNXBMFYSA-N 1 2 369.385 2.291 20 5 FEBDLO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)c1cc([N+](=O)[O-])cc(F)c1F ZINC000369513574 556615939 /nfs/dbraw/zinc/61/59/39/556615939.db2.gz ZXDIFIVXPWKZCA-UHFFFAOYSA-N 1 2 359.292 2.384 20 5 FEBDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000370349425 556847132 /nfs/dbraw/zinc/84/71/32/556847132.db2.gz QIWJGXBCEJUAGO-CVEARBPZSA-N 1 2 352.387 2.016 20 5 FEBDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000370349425 556847135 /nfs/dbraw/zinc/84/71/35/556847135.db2.gz QIWJGXBCEJUAGO-CVEARBPZSA-N 1 2 352.387 2.016 20 5 FEBDLO Cc1nc(N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC000517216596 562079934 /nfs/dbraw/zinc/07/99/34/562079934.db2.gz KIYFMFBZDOBIID-PBHICJAKSA-N 1 2 357.414 2.395 20 5 FEBDLO Cc1nc(N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC000517216596 562079935 /nfs/dbraw/zinc/07/99/35/562079935.db2.gz KIYFMFBZDOBIID-PBHICJAKSA-N 1 2 357.414 2.395 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CCC2 ZINC000371291473 557134305 /nfs/dbraw/zinc/13/43/05/557134305.db2.gz ZJOJIJZBSBJGQV-LLVKDONJSA-N 1 2 368.390 2.095 20 5 FEBDLO COCc1noc(C[N@H+]2CC=C(c3cc(C)c(N)c([N+](=O)[O-])c3)CC2)n1 ZINC000371550405 557218920 /nfs/dbraw/zinc/21/89/20/557218920.db2.gz CFUQEKAULMMAFO-UHFFFAOYSA-N 1 2 359.386 2.304 20 5 FEBDLO COCc1noc(C[N@@H+]2CC=C(c3cc(C)c(N)c([N+](=O)[O-])c3)CC2)n1 ZINC000371550405 557218922 /nfs/dbraw/zinc/21/89/22/557218922.db2.gz CFUQEKAULMMAFO-UHFFFAOYSA-N 1 2 359.386 2.304 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000371681827 557261788 /nfs/dbraw/zinc/26/17/88/557261788.db2.gz TXMXMZCMOJBCES-QFBILLFUSA-N 1 2 374.393 2.114 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000371681827 557261793 /nfs/dbraw/zinc/26/17/93/557261793.db2.gz TXMXMZCMOJBCES-QFBILLFUSA-N 1 2 374.393 2.114 20 5 FEBDLO Cc1nc2n(n1)CCN(c1cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000371867715 557315006 /nfs/dbraw/zinc/31/50/06/557315006.db2.gz IGPKNTQQSGDQLO-UHFFFAOYSA-N 1 2 351.370 2.280 20 5 FEBDLO Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000372086334 557376557 /nfs/dbraw/zinc/37/65/57/557376557.db2.gz UPWJXHULZOWTLD-BRWVUGGUSA-N 1 2 369.425 2.242 20 5 FEBDLO Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000372086334 557376558 /nfs/dbraw/zinc/37/65/58/557376558.db2.gz UPWJXHULZOWTLD-BRWVUGGUSA-N 1 2 369.425 2.242 20 5 FEBDLO O=C(NCCCNc1cccc[nH+]1)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372238762 557418193 /nfs/dbraw/zinc/41/81/93/557418193.db2.gz YLVRZGBMFBOIRC-AWEZNQCLSA-N 1 2 373.417 2.035 20 5 FEBDLO COc1cc(C[N@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000372519828 557491055 /nfs/dbraw/zinc/49/10/55/557491055.db2.gz BSBIVPMVHMAHOG-XEGUGMAKSA-N 1 2 351.378 2.361 20 5 FEBDLO COc1cc(C[N@@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000372519828 557491059 /nfs/dbraw/zinc/49/10/59/557491059.db2.gz BSBIVPMVHMAHOG-XEGUGMAKSA-N 1 2 351.378 2.361 20 5 FEBDLO O=[N+]([O-])c1ccn(C2CCN(Cc3[nH+]ccn3CC(F)(F)F)CC2)n1 ZINC000373288191 557665812 /nfs/dbraw/zinc/66/58/12/557665812.db2.gz XQBDKQLWVIYILZ-UHFFFAOYSA-N 1 2 358.324 2.387 20 5 FEBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000373675333 557736538 /nfs/dbraw/zinc/73/65/38/557736538.db2.gz RTLQZUMTZUIKFJ-DIFFPNOSSA-N 1 2 373.369 2.280 20 5 FEBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000373675333 557736539 /nfs/dbraw/zinc/73/65/39/557736539.db2.gz RTLQZUMTZUIKFJ-DIFFPNOSSA-N 1 2 373.369 2.280 20 5 FEBDLO Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000374330298 557866909 /nfs/dbraw/zinc/86/69/09/557866909.db2.gz NQODOVOZTHWTPV-INIZCTEOSA-N 1 2 368.393 2.145 20 5 FEBDLO Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000374330298 557866911 /nfs/dbraw/zinc/86/69/11/557866911.db2.gz NQODOVOZTHWTPV-INIZCTEOSA-N 1 2 368.393 2.145 20 5 FEBDLO COc1cc(OC)cc([C@@]2(F)CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000374630659 557909190 /nfs/dbraw/zinc/90/91/90/557909190.db2.gz ZCOWTDJGKZZFLI-QGZVFWFLSA-N 1 2 364.377 2.379 20 5 FEBDLO COc1cc(OC)cc([C@@]2(F)CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000374630659 557909191 /nfs/dbraw/zinc/90/91/91/557909191.db2.gz ZCOWTDJGKZZFLI-QGZVFWFLSA-N 1 2 364.377 2.379 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c1C ZINC000374753440 557925749 /nfs/dbraw/zinc/92/57/49/557925749.db2.gz LGOONVAEDSACAT-ZDUSSCGKSA-N 1 2 350.400 2.461 20 5 FEBDLO Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000375390127 558019478 /nfs/dbraw/zinc/01/94/78/558019478.db2.gz IAEOMFTWHZOVSC-MRXNPFEDSA-N 1 2 357.414 2.053 20 5 FEBDLO Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000375390127 558019480 /nfs/dbraw/zinc/01/94/80/558019480.db2.gz IAEOMFTWHZOVSC-MRXNPFEDSA-N 1 2 357.414 2.053 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC000375756586 558077615 /nfs/dbraw/zinc/07/76/15/558077615.db2.gz HZWYIMSZMNGFEP-DGCLKSJQSA-N 1 2 359.386 2.493 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC000375756586 558077617 /nfs/dbraw/zinc/07/76/17/558077617.db2.gz HZWYIMSZMNGFEP-DGCLKSJQSA-N 1 2 359.386 2.493 20 5 FEBDLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@]2(CCOC2)O1 ZINC000376005901 558112734 /nfs/dbraw/zinc/11/27/34/558112734.db2.gz HZNZJMDIWFNVKI-CRAIPNDOSA-N 1 2 363.414 2.112 20 5 FEBDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@]2(CCOC2)O1 ZINC000376005901 558112735 /nfs/dbraw/zinc/11/27/35/558112735.db2.gz HZNZJMDIWFNVKI-CRAIPNDOSA-N 1 2 363.414 2.112 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CCC2 ZINC000378252529 558512432 /nfs/dbraw/zinc/51/24/32/558512432.db2.gz OQNYHAINSJBATJ-CQSZACIVSA-N 1 2 364.427 2.097 20 5 FEBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1OC ZINC000378261022 558514144 /nfs/dbraw/zinc/51/41/44/558514144.db2.gz AKFVEARKPVRXIB-LBPRGKRZSA-N 1 2 374.397 2.365 20 5 FEBDLO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000378287352 558520537 /nfs/dbraw/zinc/52/05/37/558520537.db2.gz DCSSZDLYKIAYAZ-LBPRGKRZSA-N 1 2 366.381 2.721 20 5 FEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000408315041 558665835 /nfs/dbraw/zinc/66/58/35/558665835.db2.gz FCYOORFCBVYZEU-MNOVXSKESA-N 1 2 359.423 2.146 20 5 FEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000408315041 558665837 /nfs/dbraw/zinc/66/58/37/558665837.db2.gz FCYOORFCBVYZEU-MNOVXSKESA-N 1 2 359.423 2.146 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)c1C ZINC000408338615 558668402 /nfs/dbraw/zinc/66/84/02/558668402.db2.gz LMJUOCWEUGAORB-UKRRQHHQSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)c1C ZINC000408338615 558668404 /nfs/dbraw/zinc/66/84/04/558668404.db2.gz LMJUOCWEUGAORB-UKRRQHHQSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000408340693 558668568 /nfs/dbraw/zinc/66/85/68/558668568.db2.gz PCOPYNVRTUZWAU-LSDHHAIUSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000408340693 558668570 /nfs/dbraw/zinc/66/85/70/558668570.db2.gz PCOPYNVRTUZWAU-LSDHHAIUSA-N 1 2 367.471 2.459 20 5 FEBDLO CC(C)(C)n1ncnc1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000409542098 558701809 /nfs/dbraw/zinc/70/18/09/558701809.db2.gz CMEYAICMGHIKMX-UHFFFAOYSA-N 1 2 374.445 2.386 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2csnn2)c([N+](=O)[O-])c1 ZINC000412039020 559005508 /nfs/dbraw/zinc/00/55/08/559005508.db2.gz KWGUAIPZHWPFMU-RKDXNWHRSA-N 1 2 351.388 2.133 20 5 FEBDLO C[C@@H](O)[C@@H]1CCN(c2cc(N3CCc4ccc([N+](=O)[O-])cc4C3)nc[nH+]2)C1 ZINC000413186050 559086574 /nfs/dbraw/zinc/08/65/74/559086574.db2.gz OCWBPHJPQRHPRK-UKRRQHHQSA-N 1 2 369.425 2.155 20 5 FEBDLO C[C@@H](O)[C@@H]1CCN(c2cc(N3CCc4ccc([N+](=O)[O-])cc4C3)[nH+]cn2)C1 ZINC000413186050 559086575 /nfs/dbraw/zinc/08/65/75/559086575.db2.gz OCWBPHJPQRHPRK-UKRRQHHQSA-N 1 2 369.425 2.155 20 5 FEBDLO Cc1cc(S(=O)(=O)NC[C@H](C)Cn2cc[nH+]c2)c(C)cc1[N+](=O)[O-] ZINC000414462951 559165772 /nfs/dbraw/zinc/16/57/72/559165772.db2.gz VBYNCZIQTYUBRQ-NSHDSACASA-N 1 2 352.416 2.023 20 5 FEBDLO Cc1cc(S(=O)(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)c(C)cc1[N+](=O)[O-] ZINC000416495217 559317557 /nfs/dbraw/zinc/31/75/57/559317557.db2.gz MCYIMKQSUIYQTA-RYUDHWBXSA-N 1 2 350.400 2.392 20 5 FEBDLO C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C(=O)OC(C)(C)C ZINC000425521056 559707546 /nfs/dbraw/zinc/70/75/46/559707546.db2.gz JIGQTXRTANMXCR-CJNGLKHVSA-N 1 2 365.430 2.199 20 5 FEBDLO C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C(=O)OC(C)(C)C ZINC000425521056 559707547 /nfs/dbraw/zinc/70/75/47/559707547.db2.gz JIGQTXRTANMXCR-CJNGLKHVSA-N 1 2 365.430 2.199 20 5 FEBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427902903 559765042 /nfs/dbraw/zinc/76/50/42/559765042.db2.gz GTBYBNWIXDIQSB-UHFFFAOYSA-N 1 2 352.350 2.475 20 5 FEBDLO O=C(N[C@@H]1Cc2cccc(O)c2C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000430245569 559816072 /nfs/dbraw/zinc/81/60/72/559816072.db2.gz UAJOODWUSDIFJO-CQSZACIVSA-N 1 2 364.361 2.383 20 5 FEBDLO O=C(NC1CC1)[C@@H](O)C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000434717485 559907668 /nfs/dbraw/zinc/90/76/68/559907668.db2.gz IFDKXBKLKQGKCH-INIZCTEOSA-N 1 2 367.833 2.100 20 5 FEBDLO CCN1CC[NH+]([C@@H](C)CNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000440715468 560017049 /nfs/dbraw/zinc/01/70/49/560017049.db2.gz GZCKIULGAUAFIW-AWEZNQCLSA-N 1 2 364.446 2.128 20 5 FEBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Cn2ccc([N+](=O)[O-])n2)c(C)c1 ZINC000441476778 560033640 /nfs/dbraw/zinc/03/36/40/560033640.db2.gz SWCLKUXJWONRQO-MRXNPFEDSA-N 1 2 368.397 2.162 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000446064290 560138915 /nfs/dbraw/zinc/13/89/15/560138915.db2.gz XYXWHBRTVZIELA-IAQYHMDHSA-N 1 2 351.403 2.023 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000446064290 560138916 /nfs/dbraw/zinc/13/89/16/560138916.db2.gz XYXWHBRTVZIELA-IAQYHMDHSA-N 1 2 351.403 2.023 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000446064294 560138971 /nfs/dbraw/zinc/13/89/71/560138971.db2.gz XYXWHBRTVZIELA-XHDPSFHLSA-N 1 2 351.403 2.023 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000446064294 560138972 /nfs/dbraw/zinc/13/89/72/560138972.db2.gz XYXWHBRTVZIELA-XHDPSFHLSA-N 1 2 351.403 2.023 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000447659046 560166038 /nfs/dbraw/zinc/16/60/38/560166038.db2.gz ADEHHAZUYFEGOK-ZIAGYGMSSA-N 1 2 367.471 2.255 20 5 FEBDLO C[C@@H](COCC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448811265 560200750 /nfs/dbraw/zinc/20/07/50/560200750.db2.gz KLKOXDZCSJTORW-JTQLQIEISA-N 1 2 372.303 2.478 20 5 FEBDLO Cc1nc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)no1 ZINC000449981417 560246996 /nfs/dbraw/zinc/24/69/96/560246996.db2.gz YAXNEQYCMNOWAL-AWEZNQCLSA-N 1 2 368.353 2.449 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCOCC2(CCC2)C1 ZINC000450608255 560267802 /nfs/dbraw/zinc/26/78/02/560267802.db2.gz YRXQIUGHTISMQH-UHFFFAOYSA-N 1 2 356.382 2.423 20 5 FEBDLO CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1nncn1C ZINC000451663472 560320548 /nfs/dbraw/zinc/32/05/48/560320548.db2.gz MLTAGCNURIAYIS-OAHLLOKOSA-N 1 2 369.385 2.036 20 5 FEBDLO Cc1noc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000451731106 560325308 /nfs/dbraw/zinc/32/53/08/560325308.db2.gz QMOWBZRISFHILC-CQSZACIVSA-N 1 2 368.353 2.449 20 5 FEBDLO COc1cc(C[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000451734223 560325557 /nfs/dbraw/zinc/32/55/57/560325557.db2.gz CHLRKPHGHREBHF-MRXNPFEDSA-N 1 2 354.428 2.004 20 5 FEBDLO COc1cc(C[N@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000451734223 560325558 /nfs/dbraw/zinc/32/55/58/560325558.db2.gz CHLRKPHGHREBHF-MRXNPFEDSA-N 1 2 354.428 2.004 20 5 FEBDLO COc1ccc(OCC[N@@H+]2CC[S@](=O)C(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000451756155 560326691 /nfs/dbraw/zinc/32/66/91/560326691.db2.gz LUEQYPWHCNMTHM-DEOSSOPVSA-N 1 2 356.444 2.215 20 5 FEBDLO COc1ccc(OCC[N@H+]2CC[S@](=O)C(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000451756155 560326692 /nfs/dbraw/zinc/32/66/92/560326692.db2.gz LUEQYPWHCNMTHM-DEOSSOPVSA-N 1 2 356.444 2.215 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000451933530 560338771 /nfs/dbraw/zinc/33/87/71/560338771.db2.gz CBNVNASHFUEHDH-YPMHNXCESA-N 1 2 350.400 2.392 20 5 FEBDLO C[C@H]1C[C@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c2[nH+]ccn21 ZINC000455490188 560484305 /nfs/dbraw/zinc/48/43/05/560484305.db2.gz WJOSJWJRPUNCBY-FZMZJTMJSA-N 1 2 357.370 2.401 20 5 FEBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456202788 560510925 /nfs/dbraw/zinc/51/09/25/560510925.db2.gz DHVVWCGUCLYGHR-YUELXQCFSA-N 1 2 365.455 2.055 20 5 FEBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456202788 560510926 /nfs/dbraw/zinc/51/09/26/560510926.db2.gz DHVVWCGUCLYGHR-YUELXQCFSA-N 1 2 365.455 2.055 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)c([N+](=O)[O-])c1 ZINC000459666126 560701228 /nfs/dbraw/zinc/70/12/28/560701228.db2.gz GUKZHBSJLSVUAM-CZUORRHYSA-N 1 2 361.398 2.043 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)c([N+](=O)[O-])c1 ZINC000459666126 560701229 /nfs/dbraw/zinc/70/12/29/560701229.db2.gz GUKZHBSJLSVUAM-CZUORRHYSA-N 1 2 361.398 2.043 20 5 FEBDLO COc1cccc([C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000468839816 560940184 /nfs/dbraw/zinc/94/01/84/560940184.db2.gz GZZIDFXTRIANLJ-KRWDZBQOSA-N 1 2 359.382 2.342 20 5 FEBDLO CC(=Cc1cccc([N+](=O)[O-])c1)CNc1ccn(CC[NH+]2CCOCC2)n1 ZINC000468899543 560941705 /nfs/dbraw/zinc/94/17/05/560941705.db2.gz HYKMCUDDLQJCAL-SSZFMOIBSA-N 1 2 371.441 2.639 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000469844332 560966504 /nfs/dbraw/zinc/96/65/04/560966504.db2.gz YPHFGUTYPDQWRX-MWLCHTKSSA-N 1 2 355.778 2.070 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000469844332 560966503 /nfs/dbraw/zinc/96/65/03/560966503.db2.gz YPHFGUTYPDQWRX-MWLCHTKSSA-N 1 2 355.778 2.070 20 5 FEBDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000470141041 560975187 /nfs/dbraw/zinc/97/51/87/560975187.db2.gz AOYMKFPLABMUIM-CQSZACIVSA-N 1 2 374.376 2.262 20 5 FEBDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000470141041 560975188 /nfs/dbraw/zinc/97/51/88/560975188.db2.gz AOYMKFPLABMUIM-CQSZACIVSA-N 1 2 374.376 2.262 20 5 FEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000470177771 560976237 /nfs/dbraw/zinc/97/62/37/560976237.db2.gz FVSXARJCQMKSFM-RTYFKUQISA-N 1 2 372.469 2.283 20 5 FEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000470177771 560976238 /nfs/dbraw/zinc/97/62/38/560976238.db2.gz FVSXARJCQMKSFM-RTYFKUQISA-N 1 2 372.469 2.283 20 5 FEBDLO CCN1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1c1ncc[nH]1 ZINC000471066051 560997353 /nfs/dbraw/zinc/99/73/53/560997353.db2.gz LVEVKDIHKFXDEE-MRXNPFEDSA-N 1 2 373.413 2.063 20 5 FEBDLO CCN1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1c1ncc[nH]1 ZINC000471066051 560997354 /nfs/dbraw/zinc/99/73/54/560997354.db2.gz LVEVKDIHKFXDEE-MRXNPFEDSA-N 1 2 373.413 2.063 20 5 FEBDLO CC(C)OC(=O)C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000476211234 561113333 /nfs/dbraw/zinc/11/33/33/561113333.db2.gz NSXACLBOCIGKHV-CQSZACIVSA-N 1 2 374.397 2.450 20 5 FEBDLO O=C1C[C@@H]([N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C(=O)N1Cc1ccccc1 ZINC000530787971 562423965 /nfs/dbraw/zinc/42/39/65/562423965.db2.gz WWRHOHQNTBAGQN-GOSISDBHSA-N 1 2 365.389 2.281 20 5 FEBDLO O=C1C[C@@H]([N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C(=O)N1Cc1ccccc1 ZINC000530787971 562423966 /nfs/dbraw/zinc/42/39/66/562423966.db2.gz WWRHOHQNTBAGQN-GOSISDBHSA-N 1 2 365.389 2.281 20 5 FEBDLO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)n1C ZINC000532707346 562486340 /nfs/dbraw/zinc/48/63/40/562486340.db2.gz YLGAVPMFOZJZAP-CQSZACIVSA-N 1 2 357.414 2.314 20 5 FEBDLO Cc1cc(C(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)n1C ZINC000532707346 562486341 /nfs/dbraw/zinc/48/63/41/562486341.db2.gz YLGAVPMFOZJZAP-CQSZACIVSA-N 1 2 357.414 2.314 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000532776721 562488412 /nfs/dbraw/zinc/48/84/12/562488412.db2.gz MSXMHJJQXYDHAY-CQSZACIVSA-N 1 2 373.413 2.355 20 5 FEBDLO O=C(C[N@H+]1CC[C@H](CCO)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533437599 562508716 /nfs/dbraw/zinc/50/87/16/562508716.db2.gz OJRNSGBHWAIMBA-SNVBAGLBSA-N 1 2 372.219 2.000 20 5 FEBDLO O=C(C[N@@H+]1CC[C@H](CCO)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533437599 562508717 /nfs/dbraw/zinc/50/87/17/562508717.db2.gz OJRNSGBHWAIMBA-SNVBAGLBSA-N 1 2 372.219 2.000 20 5 FEBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000535021118 562548182 /nfs/dbraw/zinc/54/81/82/562548182.db2.gz HVTWSUFIYPYXLK-ZBFHGGJFSA-N 1 2 364.352 2.387 20 5 FEBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000535021118 562548183 /nfs/dbraw/zinc/54/81/83/562548183.db2.gz HVTWSUFIYPYXLK-ZBFHGGJFSA-N 1 2 364.352 2.387 20 5 FEBDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)no1 ZINC000535675304 562564038 /nfs/dbraw/zinc/56/40/38/562564038.db2.gz KCDHGFFSLFLEBZ-UHFFFAOYSA-N 1 2 372.385 2.186 20 5 FEBDLO CCOc1cc(N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)ccc1[N+](=O)[O-] ZINC000541190368 562605422 /nfs/dbraw/zinc/60/54/22/562605422.db2.gz KRGIQLCAIGIVJJ-CQSZACIVSA-N 1 2 373.413 2.330 20 5 FEBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000555924854 674381400 /nfs/dbraw/zinc/38/14/00/674381400.db2.gz DRULWLJTBYOJBT-NSHDSACASA-N 1 2 364.229 2.031 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1 ZINC000570472467 568483100 /nfs/dbraw/zinc/48/31/00/568483100.db2.gz NTWGDMNALAVKSH-UONOGXRCSA-N 1 2 362.390 2.253 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1 ZINC000570472467 568483101 /nfs/dbraw/zinc/48/31/01/568483101.db2.gz NTWGDMNALAVKSH-UONOGXRCSA-N 1 2 362.390 2.253 20 5 FEBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1ccc(-c3nn[nH]n3)c([N+](=O)[O-])c1)C2 ZINC000824364970 607841729 /nfs/dbraw/zinc/84/17/29/607841729.db2.gz XIHVYVVXZVJTCU-UHFFFAOYSA-N 1 2 368.401 2.195 20 5 FEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000815045907 674906793 /nfs/dbraw/zinc/90/67/93/674906793.db2.gz WOIBKQGAWWDSLR-SECBINFHSA-N 1 2 365.814 2.102 20 5 FEBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000815045907 674906795 /nfs/dbraw/zinc/90/67/95/674906795.db2.gz WOIBKQGAWWDSLR-SECBINFHSA-N 1 2 365.814 2.102 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCc3ccccc3CC2)cc1 ZINC000564607495 675043453 /nfs/dbraw/zinc/04/34/53/675043453.db2.gz POHHFDCMGUDHTO-UHFFFAOYSA-N 1 2 360.435 2.469 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000609674627 675932218 /nfs/dbraw/zinc/93/22/18/675932218.db2.gz HQAKBWKYRWLGKC-ZDUSSCGKSA-N 1 2 350.400 2.126 20 5 FEBDLO O=[N+]([O-])c1cn(C[N@@H+]2CCS[C@H]3COCC[C@H]32)nc1-c1ccncc1 ZINC000247003315 672845229 /nfs/dbraw/zinc/84/52/29/672845229.db2.gz PTAHPAGNJZZGOE-HIFRSBDPSA-N 1 2 361.427 2.017 20 5 FEBDLO O=[N+]([O-])c1cn(C[N@H+]2CCS[C@H]3COCC[C@H]32)nc1-c1ccncc1 ZINC000247003315 672845233 /nfs/dbraw/zinc/84/52/33/672845233.db2.gz PTAHPAGNJZZGOE-HIFRSBDPSA-N 1 2 361.427 2.017 20 5 FEBDLO CC(C)(C)[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594793914 673145198 /nfs/dbraw/zinc/14/51/98/673145198.db2.gz WILQKPHUMSQQEJ-SNVBAGLBSA-N 1 2 361.851 2.399 20 5 FEBDLO CC(C)(C)[N@H+]1CC[C@@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594793914 673145202 /nfs/dbraw/zinc/14/52/02/673145202.db2.gz WILQKPHUMSQQEJ-SNVBAGLBSA-N 1 2 361.851 2.399 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H](CCF)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595755479 673289652 /nfs/dbraw/zinc/28/96/52/673289652.db2.gz MFVOJTCNWPBZOM-NSHDSACASA-N 1 2 353.350 2.334 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H](CCF)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595755479 673289655 /nfs/dbraw/zinc/28/96/55/673289655.db2.gz MFVOJTCNWPBZOM-NSHDSACASA-N 1 2 353.350 2.334 20 5 FEBDLO C[C@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000596167704 673364947 /nfs/dbraw/zinc/36/49/47/673364947.db2.gz KHOAYAPCXOCKAZ-MCIONIFRSA-N 1 2 350.419 2.064 20 5 FEBDLO C[C@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000596167704 673364948 /nfs/dbraw/zinc/36/49/48/673364948.db2.gz KHOAYAPCXOCKAZ-MCIONIFRSA-N 1 2 350.419 2.064 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000596868521 673420872 /nfs/dbraw/zinc/42/08/72/673420872.db2.gz ZZGXOJIEMZXZBA-KBPBESRZSA-N 1 2 350.419 2.442 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000596868521 673420875 /nfs/dbraw/zinc/42/08/75/673420875.db2.gz ZZGXOJIEMZXZBA-KBPBESRZSA-N 1 2 350.419 2.442 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000596913000 673425264 /nfs/dbraw/zinc/42/52/64/673425264.db2.gz QYGISMXXMBOJMN-STQMWFEESA-N 1 2 350.419 2.388 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000596913000 673425265 /nfs/dbraw/zinc/42/52/65/673425265.db2.gz QYGISMXXMBOJMN-STQMWFEESA-N 1 2 350.419 2.388 20 5 FEBDLO CC[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1nccs1 ZINC000544417132 673711061 /nfs/dbraw/zinc/71/10/61/673711061.db2.gz PGTJRDDCBVCOOM-SECBINFHSA-N 1 2 364.383 2.459 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)c3cccc(Cl)c3)CC2)cn1 ZINC000743261690 673753989 /nfs/dbraw/zinc/75/39/89/673753989.db2.gz NVNDGQDSWQYQGS-INIZCTEOSA-N 1 2 362.817 2.499 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])s1 ZINC000601327510 673843058 /nfs/dbraw/zinc/84/30/58/673843058.db2.gz TXFIXIZBMCINQU-UHFFFAOYSA-N 1 2 356.429 2.187 20 5 FEBDLO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602683878 673909447 /nfs/dbraw/zinc/90/94/47/673909447.db2.gz WVHDTQGDIIJHCN-KCJUWKMLSA-N 1 2 365.249 2.391 20 5 FEBDLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602683878 673909452 /nfs/dbraw/zinc/90/94/52/673909452.db2.gz WVHDTQGDIIJHCN-KCJUWKMLSA-N 1 2 365.249 2.391 20 5 FEBDLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000826995215 675722034 /nfs/dbraw/zinc/72/20/34/675722034.db2.gz RMKBOBYTIKKPID-LBPRGKRZSA-N 1 2 357.313 2.223 20 5 FEBDLO O=C1OCCN1[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000826995215 675722037 /nfs/dbraw/zinc/72/20/37/675722037.db2.gz RMKBOBYTIKKPID-LBPRGKRZSA-N 1 2 357.313 2.223 20 5 FEBDLO Cn1ncc(I)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000865868611 684039350 /nfs/dbraw/zinc/03/93/50/684039350.db2.gz RTQWSWNMVQIELT-UHFFFAOYSA-N 1 2 372.166 2.223 20 5 FEBDLO COCC(COC)[NH+]1CCN(c2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000840356993 680818158 /nfs/dbraw/zinc/81/81/58/680818158.db2.gz HHVYCRLCJOHVEF-UHFFFAOYSA-N 1 2 357.838 2.340 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000764942786 680825158 /nfs/dbraw/zinc/82/51/58/680825158.db2.gz YKEBXVAHBCRSAD-MRXNPFEDSA-N 1 2 351.407 2.082 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000764942786 680825161 /nfs/dbraw/zinc/82/51/61/680825161.db2.gz YKEBXVAHBCRSAD-MRXNPFEDSA-N 1 2 351.407 2.082 20 5 FEBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000840521944 680829095 /nfs/dbraw/zinc/82/90/95/680829095.db2.gz GGSCIQSGCDOVJL-UHFFFAOYSA-N 1 2 373.812 2.157 20 5 FEBDLO COC(=O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000749466998 680052518 /nfs/dbraw/zinc/05/25/18/680052518.db2.gz ZRPQDWDCOTXQNN-LLVKDONJSA-N 1 2 355.778 2.214 20 5 FEBDLO COC(=O)C[C@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000749466998 680052520 /nfs/dbraw/zinc/05/25/20/680052520.db2.gz ZRPQDWDCOTXQNN-LLVKDONJSA-N 1 2 355.778 2.214 20 5 FEBDLO COc1ccc(Cl)cc1C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000981138471 680217528 /nfs/dbraw/zinc/21/75/28/680217528.db2.gz UORKGLQHIROHHV-HUUCEWRRSA-N 1 2 367.833 2.048 20 5 FEBDLO COc1ccc(Cl)cc1C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000981138471 680217529 /nfs/dbraw/zinc/21/75/29/680217529.db2.gz UORKGLQHIROHHV-HUUCEWRRSA-N 1 2 367.833 2.048 20 5 FEBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cc(Cl)ccc3Cl)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776068 680337184 /nfs/dbraw/zinc/33/71/84/680337184.db2.gz VOFAYTKPROUSSZ-AMVBZWJASA-N 1 2 370.236 2.205 20 5 FEBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cc(Cl)ccc3Cl)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776068 680337185 /nfs/dbraw/zinc/33/71/85/680337185.db2.gz VOFAYTKPROUSSZ-AMVBZWJASA-N 1 2 370.236 2.205 20 5 FEBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc(Cl)cc3Cl)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775293 680337357 /nfs/dbraw/zinc/33/73/57/680337357.db2.gz MFKFKWWUPKTUMJ-AMVBZWJASA-N 1 2 370.236 2.205 20 5 FEBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(Cl)cc3Cl)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775293 680337362 /nfs/dbraw/zinc/33/73/62/680337362.db2.gz MFKFKWWUPKTUMJ-AMVBZWJASA-N 1 2 370.236 2.205 20 5 FEBDLO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002782683 680508047 /nfs/dbraw/zinc/50/80/47/680508047.db2.gz NRMRSPJVLXRFGN-UKRRQHHQSA-N 1 2 355.797 2.225 20 5 FEBDLO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC001045436183 680629342 /nfs/dbraw/zinc/62/93/42/680629342.db2.gz LQLKVXCBIKXURF-IUODEOHRSA-N 1 2 353.369 2.101 20 5 FEBDLO Cn1c[nH+]cc1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000773831537 681156855 /nfs/dbraw/zinc/15/68/55/681156855.db2.gz WDPWFCJLBOSZPD-UHFFFAOYSA-N 1 2 371.166 2.202 20 5 FEBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000874707577 685450337 /nfs/dbraw/zinc/45/03/37/685450337.db2.gz BZCQUXSAVUIJDJ-GFCCVEGCSA-N 1 2 355.822 2.397 20 5 FEBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000874707577 685450342 /nfs/dbraw/zinc/45/03/42/685450342.db2.gz BZCQUXSAVUIJDJ-GFCCVEGCSA-N 1 2 355.822 2.397 20 5 FEBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000874707475 685450540 /nfs/dbraw/zinc/45/05/40/685450540.db2.gz LRRZRSQIQPUFRZ-OLZOCXBDSA-N 1 2 353.394 2.064 20 5 FEBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000874707475 685450545 /nfs/dbraw/zinc/45/05/45/685450545.db2.gz LRRZRSQIQPUFRZ-OLZOCXBDSA-N 1 2 353.394 2.064 20 5 FEBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000777991346 681553576 /nfs/dbraw/zinc/55/35/76/681553576.db2.gz HDXXASWIMKHKFG-LBPRGKRZSA-N 1 2 368.390 2.265 20 5 FEBDLO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cs1 ZINC000851869336 682170681 /nfs/dbraw/zinc/17/06/81/682170681.db2.gz DJTLAGZNMWRTJV-ZDUSSCGKSA-N 1 2 367.452 2.209 20 5 FEBDLO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)cs1 ZINC000851869336 682170684 /nfs/dbraw/zinc/17/06/84/682170684.db2.gz DJTLAGZNMWRTJV-ZDUSSCGKSA-N 1 2 367.452 2.209 20 5 FEBDLO COC(=O)[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000852696069 682321669 /nfs/dbraw/zinc/32/16/69/682321669.db2.gz JNPDLJFDUCFPFR-JGZJWPJOSA-N 1 2 355.778 2.070 20 5 FEBDLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000852696069 682321676 /nfs/dbraw/zinc/32/16/76/682321676.db2.gz JNPDLJFDUCFPFR-JGZJWPJOSA-N 1 2 355.778 2.070 20 5 FEBDLO C[C@@H]1C[N@H+](CCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)CO1 ZINC000853848246 682478349 /nfs/dbraw/zinc/47/83/49/682478349.db2.gz SNOIFIXHPOWBCG-NWDGAFQWSA-N 1 2 370.837 2.157 20 5 FEBDLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)CO1 ZINC000853848246 682478351 /nfs/dbraw/zinc/47/83/51/682478351.db2.gz SNOIFIXHPOWBCG-NWDGAFQWSA-N 1 2 370.837 2.157 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cn3nccc3[N+](=O)[O-])CC[C@@H]21 ZINC000793704887 682905371 /nfs/dbraw/zinc/90/53/71/682905371.db2.gz JVEKUGAKQLFNKB-STQMWFEESA-N 1 2 351.407 2.080 20 5 FEBDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cn3nccc3[N+](=O)[O-])CC[C@@H]21 ZINC000793704887 682905373 /nfs/dbraw/zinc/90/53/73/682905373.db2.gz JVEKUGAKQLFNKB-STQMWFEESA-N 1 2 351.407 2.080 20 5 FEBDLO O=[N+]([O-])c1cc(CO)c(N2CCC[N@H+](Cc3cscn3)CC2)cc1F ZINC000865502339 683990301 /nfs/dbraw/zinc/99/03/01/683990301.db2.gz GIOFATIQRUTUSX-UHFFFAOYSA-N 1 2 366.418 2.395 20 5 FEBDLO O=[N+]([O-])c1cc(CO)c(N2CCC[N@@H+](Cc3cscn3)CC2)cc1F ZINC000865502339 683990307 /nfs/dbraw/zinc/99/03/07/683990307.db2.gz GIOFATIQRUTUSX-UHFFFAOYSA-N 1 2 366.418 2.395 20 5 FEBDLO CN(C[C@H](O)C[N@H+](C)Cc1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000879082619 686733875 /nfs/dbraw/zinc/73/38/75/686733875.db2.gz FDPWZBYLXPTQSR-GFCCVEGCSA-N 1 2 359.448 2.316 20 5 FEBDLO CN(C[C@H](O)C[N@@H+](C)Cc1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000879082619 686733879 /nfs/dbraw/zinc/73/38/79/686733879.db2.gz FDPWZBYLXPTQSR-GFCCVEGCSA-N 1 2 359.448 2.316 20 5 FEBDLO COc1cc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000886808583 688316023 /nfs/dbraw/zinc/31/60/23/688316023.db2.gz LMGGXNWOHYGFTJ-CYBMUJFWSA-N 1 2 352.284 2.489 20 5 FEBDLO COc1cc(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000886808583 688316029 /nfs/dbraw/zinc/31/60/29/688316029.db2.gz LMGGXNWOHYGFTJ-CYBMUJFWSA-N 1 2 352.284 2.489 20 5 FEBDLO Cn1nc(Br)nc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000894680024 689577277 /nfs/dbraw/zinc/57/72/77/689577277.db2.gz YHZOEOQTOKIWDF-UHFFFAOYSA-N 1 2 354.208 2.160 20 5 FEBDLO Cn1nc(Br)nc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000894680024 689577280 /nfs/dbraw/zinc/57/72/80/689577280.db2.gz YHZOEOQTOKIWDF-UHFFFAOYSA-N 1 2 354.208 2.160 20 5 FEBDLO C[N@@H+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC000895101161 689661527 /nfs/dbraw/zinc/66/15/27/689661527.db2.gz ZYCHVZPDIKXNBN-OAHLLOKOSA-N 1 2 355.460 2.165 20 5 FEBDLO C[N@H+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC000895101161 689661533 /nfs/dbraw/zinc/66/15/33/689661533.db2.gz ZYCHVZPDIKXNBN-OAHLLOKOSA-N 1 2 355.460 2.165 20 5 FEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000902649406 690792586 /nfs/dbraw/zinc/79/25/86/690792586.db2.gz LAOMUSDEBVTYCY-NSHDSACASA-N 1 2 360.395 2.481 20 5 FEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000902649406 690792590 /nfs/dbraw/zinc/79/25/90/690792590.db2.gz LAOMUSDEBVTYCY-NSHDSACASA-N 1 2 360.395 2.481 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908145522 691624576 /nfs/dbraw/zinc/62/45/76/691624576.db2.gz NYBRQHXHZHPXRL-CMPLNLGQSA-N 1 2 371.796 2.323 20 5 FEBDLO CN(C(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000016565122 539633630 /nfs/dbraw/zinc/63/36/30/539633630.db2.gz QOBYFSWIZAXTPN-UHFFFAOYSA-N 1 2 354.410 2.380 20 5 FEBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000018121514 539646669 /nfs/dbraw/zinc/64/66/69/539646669.db2.gz YGRJEPRUGRUFJK-UHFFFAOYSA-N 1 2 355.394 2.432 20 5 FEBDLO COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)c2[nH+]ccn2C)cc1 ZINC000024026234 539723986 /nfs/dbraw/zinc/72/39/86/539723986.db2.gz BIPSBWBBYDMYNC-MRXNPFEDSA-N 1 2 369.381 2.195 20 5 FEBDLO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc2c(c1)OCO2 ZINC000027228541 539803053 /nfs/dbraw/zinc/80/30/53/539803053.db2.gz CABMMPWHKUXYPI-UHFFFAOYSA-N 1 2 369.377 2.345 20 5 FEBDLO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc2c(c1)OCO2 ZINC000027228541 539803046 /nfs/dbraw/zinc/80/30/46/539803046.db2.gz CABMMPWHKUXYPI-UHFFFAOYSA-N 1 2 369.377 2.345 20 5 FEBDLO CS(=O)(=O)c1ccc(N2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000045026669 540146831 /nfs/dbraw/zinc/14/68/31/540146831.db2.gz LQIUPFFCGLEABR-UHFFFAOYSA-N 1 2 353.444 2.063 20 5 FEBDLO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000045262841 540208155 /nfs/dbraw/zinc/20/81/55/540208155.db2.gz BIEOTVURFDSOGS-AWEZNQCLSA-N 1 2 365.393 2.475 20 5 FEBDLO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000045262841 540208156 /nfs/dbraw/zinc/20/81/56/540208156.db2.gz BIEOTVURFDSOGS-AWEZNQCLSA-N 1 2 365.393 2.475 20 5 FEBDLO O=C(NCc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccncc2)CC1 ZINC000045624597 540219066 /nfs/dbraw/zinc/21/90/66/540219066.db2.gz CSNSLNZMYWBXMW-UHFFFAOYSA-N 1 2 355.398 2.017 20 5 FEBDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])o3)c[nH+]2)C[C@@H](C)O1 ZINC000046651169 540265655 /nfs/dbraw/zinc/26/56/55/540265655.db2.gz MVDVHKOKAWYBIO-VXGBXAGGSA-N 1 2 360.370 2.126 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046617298 540264025 /nfs/dbraw/zinc/26/40/25/540264025.db2.gz DUWBNYYVOMSEJT-UHFFFAOYSA-N 1 2 356.382 2.397 20 5 FEBDLO CN(Cc1cccs1)C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743394 540327133 /nfs/dbraw/zinc/32/71/33/540327133.db2.gz QMDDIBOULDGRDK-UHFFFAOYSA-N 1 2 374.466 2.437 20 5 FEBDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000047796728 540329080 /nfs/dbraw/zinc/32/90/80/540329080.db2.gz FVDWXPSOYHZKPS-CQSZACIVSA-N 1 2 365.386 2.172 20 5 FEBDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000047796728 540329082 /nfs/dbraw/zinc/32/90/82/540329082.db2.gz FVDWXPSOYHZKPS-CQSZACIVSA-N 1 2 365.386 2.172 20 5 FEBDLO Cc1noc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000054677234 540602088 /nfs/dbraw/zinc/60/20/88/540602088.db2.gz PUNQKKVAPPQOKT-WCQYABFASA-N 1 2 359.386 2.493 20 5 FEBDLO Cc1noc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000054677234 540602091 /nfs/dbraw/zinc/60/20/91/540602091.db2.gz PUNQKKVAPPQOKT-WCQYABFASA-N 1 2 359.386 2.493 20 5 FEBDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])cn2c1 ZINC000055295918 540644927 /nfs/dbraw/zinc/64/49/27/540644927.db2.gz PNRGKGJKSLKTEZ-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO COC(=O)CCN(CC(C)C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055721933 540672618 /nfs/dbraw/zinc/67/26/18/540672618.db2.gz FSOSYHQXKNETGB-UHFFFAOYSA-N 1 2 374.397 2.442 20 5 FEBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1[nH+]ccn1C ZINC000064781970 541218102 /nfs/dbraw/zinc/21/81/02/541218102.db2.gz JKVGGAITZYIEKW-JTQLQIEISA-N 1 2 352.778 2.408 20 5 FEBDLO O=C(CN1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)NC1CCCCC1 ZINC000065969362 541275082 /nfs/dbraw/zinc/27/50/82/541275082.db2.gz RHTYECOTWXCBHH-UHFFFAOYSA-N 1 2 360.458 2.161 20 5 FEBDLO O=C(C[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)NC1CCCCC1 ZINC000065969362 541275085 /nfs/dbraw/zinc/27/50/85/541275085.db2.gz RHTYECOTWXCBHH-UHFFFAOYSA-N 1 2 360.458 2.161 20 5 FEBDLO Cc1nc(C2CC[NH+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)no1 ZINC000067378973 541452061 /nfs/dbraw/zinc/45/20/61/541452061.db2.gz TXQGXGJHWRFUBT-MRXNPFEDSA-N 1 2 371.397 2.271 20 5 FEBDLO Cc1nn(CCC(=O)NCCCCNc2cccc[nH+]2)c(C)c1[N+](=O)[O-] ZINC000068422752 541589970 /nfs/dbraw/zinc/58/99/70/541589970.db2.gz JGCVYRDYQCHMBL-UHFFFAOYSA-N 1 2 360.418 2.202 20 5 FEBDLO Cc1cc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c(N)c([N+](=O)[O-])c1 ZINC000068513247 541601808 /nfs/dbraw/zinc/60/18/08/541601808.db2.gz DWZXKWJTLJEQPP-UHFFFAOYSA-N 1 2 355.398 2.411 20 5 FEBDLO O=[N+]([O-])c1cccc2ncnc(NCc3ccc[nH+]c3N3CCOCC3)c21 ZINC000543449389 541593905 /nfs/dbraw/zinc/59/39/05/541593905.db2.gz JFYSWBWOWKYPIF-UHFFFAOYSA-N 1 2 366.381 2.382 20 5 FEBDLO Nc1ccc(C(=O)NC2CC[NH+](Cc3cscn3)CC2)cc1[N+](=O)[O-] ZINC000075558197 542188350 /nfs/dbraw/zinc/18/83/50/542188350.db2.gz KUWDRMHOTHMYSO-UHFFFAOYSA-N 1 2 361.427 2.028 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCOC[C@@H]2c2ccccc2)c1 ZINC000076119170 542235393 /nfs/dbraw/zinc/23/53/93/542235393.db2.gz NNWVAIXUFGSOMI-PKOBYXMFSA-N 1 2 358.394 2.408 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCOC[C@@H]2c2ccccc2)c1 ZINC000076119170 542235395 /nfs/dbraw/zinc/23/53/95/542235395.db2.gz NNWVAIXUFGSOMI-PKOBYXMFSA-N 1 2 358.394 2.408 20 5 FEBDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079804834 542543447 /nfs/dbraw/zinc/54/34/47/542543447.db2.gz IPUZGOVFPXMNDN-UHFFFAOYSA-N 1 2 353.176 2.363 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000080552288 542594125 /nfs/dbraw/zinc/59/41/25/542594125.db2.gz QOTCEFDLEYLEIY-INIZCTEOSA-N 1 2 360.458 2.426 20 5 FEBDLO Cn1cc[nH+]c1C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000081317514 542647883 /nfs/dbraw/zinc/64/78/83/542647883.db2.gz DUCOIFDIIFKREW-INIZCTEOSA-N 1 2 368.397 2.015 20 5 FEBDLO O=C(C[NH+]1CCC(c2nnc[nH]2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000083443356 542697280 /nfs/dbraw/zinc/69/72/80/542697280.db2.gz JGDOJLXKFZHSPR-UHFFFAOYSA-N 1 2 364.793 2.184 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000088777405 542757315 /nfs/dbraw/zinc/75/73/15/542757315.db2.gz XTAXKGWOWZUKTJ-GFCCVEGCSA-N 1 2 350.400 2.195 20 5 FEBDLO Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000090002017 542781043 /nfs/dbraw/zinc/78/10/43/542781043.db2.gz GXZJCFRLDLWSKU-SWLSCSKDSA-N 1 2 363.805 2.455 20 5 FEBDLO Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000090002017 542781046 /nfs/dbraw/zinc/78/10/46/542781046.db2.gz GXZJCFRLDLWSKU-SWLSCSKDSA-N 1 2 363.805 2.455 20 5 FEBDLO COC(=O)[C@]1(F)CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093887227 542943941 /nfs/dbraw/zinc/94/39/41/542943941.db2.gz QHLMWWNPTVJATH-KRWDZBQOSA-N 1 2 362.361 2.082 20 5 FEBDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093887227 542943943 /nfs/dbraw/zinc/94/39/43/542943943.db2.gz QHLMWWNPTVJATH-KRWDZBQOSA-N 1 2 362.361 2.082 20 5 FEBDLO Cc1n[nH]cc1CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000110845673 543369922 /nfs/dbraw/zinc/36/99/22/543369922.db2.gz CKDTVEXTNGFQPJ-UHFFFAOYSA-N 1 2 354.370 2.175 20 5 FEBDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000122936645 543732405 /nfs/dbraw/zinc/73/24/05/543732405.db2.gz BGVNKLAVBCBJKW-CQSZACIVSA-N 1 2 373.331 2.207 20 5 FEBDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000122936645 543732408 /nfs/dbraw/zinc/73/24/08/543732408.db2.gz BGVNKLAVBCBJKW-CQSZACIVSA-N 1 2 373.331 2.207 20 5 FEBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000123159036 543746092 /nfs/dbraw/zinc/74/60/92/543746092.db2.gz CGVHQDTVDFXBPC-UHFFFAOYSA-N 1 2 371.397 2.185 20 5 FEBDLO C[C@@H]1C[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000124011902 543796106 /nfs/dbraw/zinc/79/61/06/543796106.db2.gz DNAMAPVEXMJYFD-ZJUUUORDSA-N 1 2 359.835 2.152 20 5 FEBDLO C[C@@H]1C[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000124011902 543796109 /nfs/dbraw/zinc/79/61/09/543796109.db2.gz DNAMAPVEXMJYFD-ZJUUUORDSA-N 1 2 359.835 2.152 20 5 FEBDLO Cn1cc(N2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)cn1 ZINC000126134520 543919462 /nfs/dbraw/zinc/91/94/62/543919462.db2.gz GAGVTFMPJSJGDZ-UHFFFAOYSA-N 1 2 367.356 2.252 20 5 FEBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130018644 544135594 /nfs/dbraw/zinc/13/55/94/544135594.db2.gz HFKJIFXFJGIYCU-UHFFFAOYSA-N 1 2 355.394 2.187 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000130709526 544162012 /nfs/dbraw/zinc/16/20/12/544162012.db2.gz JDRJYZLPTDKFFI-QGZVFWFLSA-N 1 2 355.394 2.433 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000130709526 544162013 /nfs/dbraw/zinc/16/20/13/544162013.db2.gz JDRJYZLPTDKFFI-QGZVFWFLSA-N 1 2 355.394 2.433 20 5 FEBDLO O=C(NCCCNc1cccc[nH+]1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000136161793 544367758 /nfs/dbraw/zinc/36/77/58/544367758.db2.gz KYTIBQNXIGKNCH-UHFFFAOYSA-N 1 2 367.365 2.063 20 5 FEBDLO O=C(c1ccc(F)cc1)N1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136911687 544380905 /nfs/dbraw/zinc/38/09/05/544380905.db2.gz NVBBSWHYYDAXDB-GOSISDBHSA-N 1 2 373.384 2.225 20 5 FEBDLO Cc1c(NC(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000151435577 544540833 /nfs/dbraw/zinc/54/08/33/544540833.db2.gz GJBSZXIGKGQVRU-MLGOLLRUSA-N 1 2 371.397 2.148 20 5 FEBDLO Cc1c(NC(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000151435516 544541103 /nfs/dbraw/zinc/54/11/03/544541103.db2.gz GJBSZXIGKGQVRU-BLLLJJGKSA-N 1 2 371.397 2.148 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000151242568 544520255 /nfs/dbraw/zinc/52/02/55/544520255.db2.gz DBFOJGQLCMZMMJ-SWLSCSKDSA-N 1 2 364.427 2.372 20 5 FEBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](C)[NH+]1CCOCC1 ZINC000181598905 327737861 /nfs/dbraw/zinc/73/78/61/327737861.db2.gz HBGDPKDBZWRQTG-GHMZBOCLSA-N 1 2 373.356 2.035 20 5 FEBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000182877948 327792094 /nfs/dbraw/zinc/79/20/94/327792094.db2.gz HPPMOSJIBAFDQM-FDPSAONLSA-N 1 2 359.426 2.321 20 5 FEBDLO COc1cc(CN2CCN(c3cc[nH+]c(C)n3)CC2)c([N+](=O)[O-])cc1F ZINC000184409112 327866317 /nfs/dbraw/zinc/86/63/17/327866317.db2.gz XSZXOCFGTPJCJC-UHFFFAOYSA-N 1 2 361.377 2.163 20 5 FEBDLO Cc1nc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)cc[nH+]1 ZINC000185446723 327917065 /nfs/dbraw/zinc/91/70/65/327917065.db2.gz NTVKNLLRCMETBC-UHFFFAOYSA-N 1 2 361.789 2.309 20 5 FEBDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000188615693 328098990 /nfs/dbraw/zinc/09/89/90/328098990.db2.gz ICYTWFAUQFZYPZ-DZGCQCFKSA-N 1 2 362.407 2.432 20 5 FEBDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000188615693 328098991 /nfs/dbraw/zinc/09/89/91/328098991.db2.gz ICYTWFAUQFZYPZ-DZGCQCFKSA-N 1 2 362.407 2.432 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189141327 328130842 /nfs/dbraw/zinc/13/08/42/328130842.db2.gz DDNSLMVHLFAEJT-INIZCTEOSA-N 1 2 363.414 2.433 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)NCCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000189819639 328170032 /nfs/dbraw/zinc/17/00/32/328170032.db2.gz LJBMIJHNYDITBE-UHFFFAOYSA-N 1 2 374.422 2.380 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)c1[N+](=O)[O-] ZINC000190076269 328186107 /nfs/dbraw/zinc/18/61/07/328186107.db2.gz YSHFFZAOFWHNKG-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO COC(=O)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000191851949 328284998 /nfs/dbraw/zinc/28/49/98/328284998.db2.gz PPIGTNORQQSJPJ-JSGCOSHPSA-N 1 2 372.381 2.052 20 5 FEBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000192499861 328322238 /nfs/dbraw/zinc/32/22/38/328322238.db2.gz CGJHBBOZTHKQTJ-GFCCVEGCSA-N 1 2 360.418 2.352 20 5 FEBDLO O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000053069903 324728532 /nfs/dbraw/zinc/72/85/32/324728532.db2.gz LNERGQPWTPXPBT-UHFFFAOYSA-N 1 2 365.393 2.201 20 5 FEBDLO Cc1c(NC(=O)C(=O)NCc2[nH+]ccn2CC(C)C)cccc1[N+](=O)[O-] ZINC000076375389 324939774 /nfs/dbraw/zinc/93/97/74/324939774.db2.gz NKGHQYCBYNRKJO-UHFFFAOYSA-N 1 2 359.386 2.011 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000080279707 325126411 /nfs/dbraw/zinc/12/64/11/325126411.db2.gz AKYVVBBGMRRDRW-UHFFFAOYSA-N 1 2 350.400 2.189 20 5 FEBDLO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000090516361 325361633 /nfs/dbraw/zinc/36/16/33/325361633.db2.gz ORLCFZSPCCFZFW-QPJJXVBHSA-N 1 2 368.437 2.088 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091083936 325373737 /nfs/dbraw/zinc/37/37/37/325373737.db2.gz NZBQJIRCZLJOLL-UHFFFAOYSA-N 1 2 356.373 2.115 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCN(CC(F)F)CC1 ZINC000091083936 325373739 /nfs/dbraw/zinc/37/37/39/325373739.db2.gz NZBQJIRCZLJOLL-UHFFFAOYSA-N 1 2 356.373 2.115 20 5 FEBDLO COCCOC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116884813 326039837 /nfs/dbraw/zinc/03/98/37/326039837.db2.gz HNGNMXVMRFXZCZ-UHFFFAOYSA-N 1 2 371.821 2.314 20 5 FEBDLO C[C@H]([C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000117792045 326071062 /nfs/dbraw/zinc/07/10/62/326071062.db2.gz IXWBTJBHPVERGN-NWDGAFQWSA-N 1 2 355.822 2.016 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000121311182 326329046 /nfs/dbraw/zinc/32/90/46/326329046.db2.gz ORNRPRNHHXNJKR-LLVKDONJSA-N 1 2 370.818 2.046 20 5 FEBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000126138306 326484043 /nfs/dbraw/zinc/48/40/43/326484043.db2.gz WEAIXYYSUHMWHZ-OAHLLOKOSA-N 1 2 367.409 2.336 20 5 FEBDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000127459226 326506800 /nfs/dbraw/zinc/50/68/00/326506800.db2.gz YGAXUDTVUVGVHF-UHFFFAOYSA-N 1 2 351.384 2.140 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000152425242 326707050 /nfs/dbraw/zinc/70/70/50/326707050.db2.gz OSFJXZUZRVQFCE-ZDUSSCGKSA-N 1 2 356.382 2.397 20 5 FEBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000157452908 326865956 /nfs/dbraw/zinc/86/59/56/326865956.db2.gz KFILJVBYJVLQFM-UHFFFAOYSA-N 1 2 357.366 2.385 20 5 FEBDLO O=C(c1cccc(O)c1)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000174667821 327342321 /nfs/dbraw/zinc/34/23/21/327342321.db2.gz YXNPYDPNWANUHI-UHFFFAOYSA-N 1 2 371.393 2.137 20 5 FEBDLO Cc1ccc([C@H](C)NC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000175547649 327398825 /nfs/dbraw/zinc/39/88/25/327398825.db2.gz NWARQDRNGDPWSO-AWEZNQCLSA-N 1 2 364.446 2.374 20 5 FEBDLO C[C@H](c1cccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1)[NH+]1CCOCC1 ZINC000264303338 329008579 /nfs/dbraw/zinc/00/85/79/329008579.db2.gz XWHVSXFWPPGAOR-CQSZACIVSA-N 1 2 373.413 2.213 20 5 FEBDLO NC(=O)c1cc([N+](=O)[O-])cnc1NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000264556073 329035393 /nfs/dbraw/zinc/03/53/93/329035393.db2.gz SWHHQUFEGULTNS-UHFFFAOYSA-N 1 2 370.413 2.476 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c2c(c1)COCO2 ZINC000264599613 329039337 /nfs/dbraw/zinc/03/93/37/329039337.db2.gz JQNSYGTXLLQVBJ-TZMCWYRMSA-N 1 2 362.304 2.349 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c2c(c1)COCO2 ZINC000264599613 329039338 /nfs/dbraw/zinc/03/93/38/329039338.db2.gz JQNSYGTXLLQVBJ-TZMCWYRMSA-N 1 2 362.304 2.349 20 5 FEBDLO CCOC(=O)c1ccnc(N2CC[NH+](Cc3ccco3)CC2)c1[N+](=O)[O-] ZINC000265549179 329137912 /nfs/dbraw/zinc/13/79/12/329137912.db2.gz GHZPZZUOQVYXAV-UHFFFAOYSA-N 1 2 360.370 2.082 20 5 FEBDLO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@@H+]1C[C@H](C)O ZINC000267235603 329305497 /nfs/dbraw/zinc/30/54/97/329305497.db2.gz LXFBJXMPFGFBLB-WDEREUQCSA-N 1 2 373.251 2.034 20 5 FEBDLO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@H+]1C[C@H](C)O ZINC000267235603 329305498 /nfs/dbraw/zinc/30/54/98/329305498.db2.gz LXFBJXMPFGFBLB-WDEREUQCSA-N 1 2 373.251 2.034 20 5 FEBDLO C[C@@]1(O)CC[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000267397440 329322975 /nfs/dbraw/zinc/32/29/75/329322975.db2.gz YPABNQNZSOSYLS-MRXNPFEDSA-N 1 2 362.411 2.114 20 5 FEBDLO C[C@@]1(O)CC[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000267397440 329322976 /nfs/dbraw/zinc/32/29/76/329322976.db2.gz YPABNQNZSOSYLS-MRXNPFEDSA-N 1 2 362.411 2.114 20 5 FEBDLO CN(C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1)S(C)(=O)=O ZINC000269099508 329485716 /nfs/dbraw/zinc/48/57/16/329485716.db2.gz QLKGNNYPXOQJMD-UHFFFAOYSA-N 1 2 361.851 2.104 20 5 FEBDLO COC(=O)c1cc(N2CCN(c3cc[nH+]c(C)n3)CC2)cc(C)c1[N+](=O)[O-] ZINC000273493666 329869238 /nfs/dbraw/zinc/86/92/38/329869238.db2.gz MYIAXNSYJUFCAD-UHFFFAOYSA-N 1 2 371.397 2.115 20 5 FEBDLO C[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000275667523 330076092 /nfs/dbraw/zinc/07/60/92/330076092.db2.gz ZHOJGLWTLOQNKL-JTQLQIEISA-N 1 2 373.251 2.034 20 5 FEBDLO C[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000275667523 330076093 /nfs/dbraw/zinc/07/60/93/330076093.db2.gz ZHOJGLWTLOQNKL-JTQLQIEISA-N 1 2 373.251 2.034 20 5 FEBDLO CCOCCOCC[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000276130051 330121960 /nfs/dbraw/zinc/12/19/60/330121960.db2.gz CQWYTRJJTKCQSZ-UHFFFAOYSA-N 1 2 350.375 2.130 20 5 FEBDLO CCOCCOCC[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000276130051 330121961 /nfs/dbraw/zinc/12/19/61/330121961.db2.gz CQWYTRJJTKCQSZ-UHFFFAOYSA-N 1 2 350.375 2.130 20 5 FEBDLO Cc1sc(C(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cc1[N+](=O)[O-] ZINC000276247320 330133306 /nfs/dbraw/zinc/13/33/06/330133306.db2.gz LBXAIMOTXHRLDM-ZWNOBZJWSA-N 1 2 350.400 2.348 20 5 FEBDLO CS(=O)(=O)N1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000367035803 330209854 /nfs/dbraw/zinc/20/98/54/330209854.db2.gz CUQBWPVIOUXLCZ-UHFFFAOYSA-N 1 2 361.423 2.377 20 5 FEBDLO CS(=O)(=O)N1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000367035803 330209856 /nfs/dbraw/zinc/20/98/56/330209856.db2.gz CUQBWPVIOUXLCZ-UHFFFAOYSA-N 1 2 361.423 2.377 20 5 FEBDLO O=C(NC1CC[NH+](CCc2ccncc2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367137339 330221465 /nfs/dbraw/zinc/22/14/65/330221465.db2.gz HOSHHRZUARUJKF-UHFFFAOYSA-N 1 2 370.409 2.132 20 5 FEBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3ncc([N+](=O)[O-])s3)CC2)no1 ZINC000367141353 330221958 /nfs/dbraw/zinc/22/19/58/330221958.db2.gz RUHIBRWJKDKRAA-LLVKDONJSA-N 1 2 352.420 2.234 20 5 FEBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3ncc([N+](=O)[O-])s3)CC2)no1 ZINC000367141353 330221959 /nfs/dbraw/zinc/22/19/59/330221959.db2.gz RUHIBRWJKDKRAA-LLVKDONJSA-N 1 2 352.420 2.234 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(O)(C(F)F)CC1 ZINC000426239323 330271484 /nfs/dbraw/zinc/27/14/84/330271484.db2.gz 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ZINC000179713924 547002560 /nfs/dbraw/zinc/00/25/60/547002560.db2.gz BUIUAZBTOCIEEI-QGZVFWFLSA-N 1 2 359.382 2.192 20 5 FEBDLO CC(=O)NC[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000179710829 547002736 /nfs/dbraw/zinc/00/27/36/547002736.db2.gz ZZUXGHYCXPNHBM-KRWDZBQOSA-N 1 2 359.382 2.192 20 5 FEBDLO CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000179710829 547002739 /nfs/dbraw/zinc/00/27/39/547002739.db2.gz ZZUXGHYCXPNHBM-KRWDZBQOSA-N 1 2 359.382 2.192 20 5 FEBDLO CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000179710817 547002781 /nfs/dbraw/zinc/00/27/81/547002781.db2.gz ZZUXGHYCXPNHBM-QGZVFWFLSA-N 1 2 359.382 2.192 20 5 FEBDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000179710817 547002784 /nfs/dbraw/zinc/00/27/84/547002784.db2.gz ZZUXGHYCXPNHBM-QGZVFWFLSA-N 1 2 359.382 2.192 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000180167019 547061787 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KXKKLPCYOFFGNS-ZDUSSCGKSA-N 1 2 361.314 2.089 20 5 FEBDLO O=[N+]([O-])c1cc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)cc([N+](=O)[O-])c1 ZINC000273846051 550513526 /nfs/dbraw/zinc/51/35/26/550513526.db2.gz KXKKLPCYOFFGNS-ZDUSSCGKSA-N 1 2 361.314 2.089 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000277672283 550699549 /nfs/dbraw/zinc/69/95/49/550699549.db2.gz FUCBHPPFMUXGON-HZMBPMFUSA-N 1 2 361.320 2.169 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000277672283 550699551 /nfs/dbraw/zinc/69/95/51/550699551.db2.gz FUCBHPPFMUXGON-HZMBPMFUSA-N 1 2 361.320 2.169 20 5 FEBDLO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000278259693 550766291 /nfs/dbraw/zinc/76/62/91/550766291.db2.gz IDDSOHFIXTYQSW-DOMZBBRYSA-N 1 2 358.822 2.094 20 5 FEBDLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000278259693 550766292 /nfs/dbraw/zinc/76/62/92/550766292.db2.gz IDDSOHFIXTYQSW-DOMZBBRYSA-N 1 2 358.822 2.094 20 5 FEBDLO Cc1cc(N2CC[C@@]3(CNC(=O)C3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000279067962 550852678 /nfs/dbraw/zinc/85/26/78/550852678.db2.gz LKPQHNWPHIXEBM-GOSISDBHSA-N 1 2 353.382 2.077 20 5 FEBDLO C[C@@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000279535433 550900575 /nfs/dbraw/zinc/90/05/75/550900575.db2.gz QLOMNHDQEQAZJV-UONOGXRCSA-N 1 2 350.419 2.018 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000280251008 550974375 /nfs/dbraw/zinc/97/43/75/550974375.db2.gz BXXDEGBXXNAZIM-PMUMKWKESA-N 1 2 363.414 2.110 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000280251008 550974376 /nfs/dbraw/zinc/97/43/76/550974376.db2.gz BXXDEGBXXNAZIM-PMUMKWKESA-N 1 2 363.414 2.110 20 5 FEBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000280769329 551030456 /nfs/dbraw/zinc/03/04/56/551030456.db2.gz RQURLELDZWMJGM-UHFFFAOYSA-N 1 2 352.464 2.123 20 5 FEBDLO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000280920204 551045709 /nfs/dbraw/zinc/04/57/09/551045709.db2.gz JKDGZYLDQBWURC-MCIONIFRSA-N 1 2 363.414 2.014 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000280982094 551051548 /nfs/dbraw/zinc/05/15/48/551051548.db2.gz PNPOECRFYDXPPS-CQSZACIVSA-N 1 2 370.409 2.107 20 5 FEBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@@H]21 ZINC000283834143 551435031 /nfs/dbraw/zinc/43/50/31/551435031.db2.gz ASTWHSCQPCEMQF-UONOGXRCSA-N 1 2 373.331 2.159 20 5 FEBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@@H]21 ZINC000283834143 551435033 /nfs/dbraw/zinc/43/50/33/551435033.db2.gz ASTWHSCQPCEMQF-UONOGXRCSA-N 1 2 373.331 2.159 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000284382210 551537527 /nfs/dbraw/zinc/53/75/27/551537527.db2.gz FNYPIGNWPSNKRF-JKSUJKDBSA-N 1 2 354.428 2.012 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000284382210 551537530 /nfs/dbraw/zinc/53/75/30/551537530.db2.gz FNYPIGNWPSNKRF-JKSUJKDBSA-N 1 2 354.428 2.012 20 5 FEBDLO CS(=O)(=O)NCC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000285500203 551765782 /nfs/dbraw/zinc/76/57/82/551765782.db2.gz QBCYNJYBXBOAHR-UHFFFAOYSA-N 1 2 361.851 2.009 20 5 FEBDLO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC000286074338 551845851 /nfs/dbraw/zinc/84/58/51/551845851.db2.gz RZMNFZBFNCZPNA-TXNHMLTKSA-N 1 2 353.444 2.155 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC000286074338 551845852 /nfs/dbraw/zinc/84/58/52/551845852.db2.gz RZMNFZBFNCZPNA-TXNHMLTKSA-N 1 2 353.444 2.155 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000286219167 551862810 /nfs/dbraw/zinc/86/28/10/551862810.db2.gz SQPNWMWNEULFPI-UHFFFAOYSA-N 1 2 357.370 2.384 20 5 FEBDLO COC(=O)c1cncc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000499522089 561552828 /nfs/dbraw/zinc/55/28/28/561552828.db2.gz UMAOSXAPYNNAIA-UHFFFAOYSA-N 1 2 367.321 2.214 20 5 FEBDLO Cc1cc(S(=O)(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)cc([N+](=O)[O-])c1F ZINC000288905557 552234172 /nfs/dbraw/zinc/23/41/72/552234172.db2.gz KAUPRUSTKUHTEQ-CYBMUJFWSA-N 1 2 356.379 2.441 20 5 FEBDLO COc1ccc(S(=O)(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)c([N+](=O)[O-])c1 ZINC000288935802 552239319 /nfs/dbraw/zinc/23/93/19/552239319.db2.gz NLWQBMHGIMAZDY-CYBMUJFWSA-N 1 2 354.388 2.002 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000289707580 552365346 /nfs/dbraw/zinc/36/53/46/552365346.db2.gz HMRQXOGSSVGYKR-MRXNPFEDSA-N 1 2 362.430 2.486 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000289817420 552383137 /nfs/dbraw/zinc/38/31/37/552383137.db2.gz OHIWWCQSDAIINR-CZUORRHYSA-N 1 2 362.430 2.484 20 5 FEBDLO Cn1c[nH+]cc1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000292031466 552686581 /nfs/dbraw/zinc/68/65/81/552686581.db2.gz QFBWQAQLCFNANB-UHFFFAOYSA-N 1 2 359.386 2.081 20 5 FEBDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000292961710 552775362 /nfs/dbraw/zinc/77/53/62/552775362.db2.gz QJEJSRNBHSACKH-SECBINFHSA-N 1 2 362.213 2.040 20 5 FEBDLO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000295607262 553032808 /nfs/dbraw/zinc/03/28/08/553032808.db2.gz NNGZKVMAMWSRJU-CANCMXDXSA-N 1 2 368.455 2.432 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](OC)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000296278991 553134274 /nfs/dbraw/zinc/13/42/74/553134274.db2.gz YWJUAUIDFHXMTP-OAHLLOKOSA-N 1 2 351.403 2.289 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000296278991 553134276 /nfs/dbraw/zinc/13/42/76/553134276.db2.gz YWJUAUIDFHXMTP-OAHLLOKOSA-N 1 2 351.403 2.289 20 5 FEBDLO Cc1nn(C)c(NC[C@@H](c2cccs2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000298735751 553465823 /nfs/dbraw/zinc/46/58/23/553465823.db2.gz PPWZLDBDSFBALH-LBPRGKRZSA-N 1 2 351.432 2.184 20 5 FEBDLO Cc1ccc(S(=O)(=O)NCc2cn3cccc(C)c3[nH+]2)c([N+](=O)[O-])c1 ZINC000503706357 561647368 /nfs/dbraw/zinc/64/73/68/561647368.db2.gz WHTFNEUNHXJUPV-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[NH+]2CCOCC2)cc1 ZINC000298947434 553493781 /nfs/dbraw/zinc/49/37/81/553493781.db2.gz HFGSLCRVBHSNJO-MRXNPFEDSA-N 1 2 358.398 2.035 20 5 FEBDLO NC(=O)c1cc([N+](=O)[O-])cnc1NCCNc1ccc2ccccc2[nH+]1 ZINC000301131356 553624654 /nfs/dbraw/zinc/62/46/54/553624654.db2.gz VAMWRHKISDGTDT-UHFFFAOYSA-N 1 2 352.354 2.161 20 5 FEBDLO O=[N+]([O-])c1ccc(NCCNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)cc1 ZINC000301221627 553632482 /nfs/dbraw/zinc/63/24/82/553632482.db2.gz ANZRUZRCJZQUGB-CQSZACIVSA-N 1 2 372.429 2.118 20 5 FEBDLO O=[N+]([O-])c1ccc(NCCNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)cc1 ZINC000301221627 553632484 /nfs/dbraw/zinc/63/24/84/553632484.db2.gz ANZRUZRCJZQUGB-CQSZACIVSA-N 1 2 372.429 2.118 20 5 FEBDLO Cc1ccc([C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[NH+]2CCOCC2)o1 ZINC000301854211 553685725 /nfs/dbraw/zinc/68/57/25/553685725.db2.gz YFROJJGUTUYCFS-CYBMUJFWSA-N 1 2 372.385 2.024 20 5 FEBDLO O=[N+]([O-])c1ccccc1CCNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000506140267 561691595 /nfs/dbraw/zinc/69/15/95/561691595.db2.gz ZNRAQHRNMKGXTH-UHFFFAOYSA-N 1 2 362.353 2.168 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000507918227 561745937 /nfs/dbraw/zinc/74/59/37/561745937.db2.gz DRTUCDHYZPQEDR-UWVGGRQHSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000507918227 561745938 /nfs/dbraw/zinc/74/59/38/561745938.db2.gz DRTUCDHYZPQEDR-UWVGGRQHSA-N 1 2 361.851 2.270 20 5 FEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000330541556 554135463 /nfs/dbraw/zinc/13/54/63/554135463.db2.gz IHACERNAJBMCJH-MNOVXSKESA-N 1 2 361.851 2.351 20 5 FEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000330541556 554135467 /nfs/dbraw/zinc/13/54/67/554135467.db2.gz IHACERNAJBMCJH-MNOVXSKESA-N 1 2 361.851 2.351 20 5 FEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000330549128 554136940 /nfs/dbraw/zinc/13/69/40/554136940.db2.gz LWTJXMMXILSXQF-QWRGUYRKSA-N 1 2 361.851 2.351 20 5 FEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000330549128 554136938 /nfs/dbraw/zinc/13/69/38/554136938.db2.gz LWTJXMMXILSXQF-QWRGUYRKSA-N 1 2 361.851 2.351 20 5 FEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000330553491 554137396 /nfs/dbraw/zinc/13/73/96/554137396.db2.gz OCNLWHBGIJVDRE-WDEREUQCSA-N 1 2 361.851 2.351 20 5 FEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000330553491 554137399 /nfs/dbraw/zinc/13/73/99/554137399.db2.gz OCNLWHBGIJVDRE-WDEREUQCSA-N 1 2 361.851 2.351 20 5 FEBDLO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000330924526 554189557 /nfs/dbraw/zinc/18/95/57/554189557.db2.gz UPEIFTLRYXXZPE-LBPRGKRZSA-N 1 2 373.331 2.160 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])CCC2 ZINC000331733333 554317769 /nfs/dbraw/zinc/31/77/69/554317769.db2.gz SEAQTSUFECBONU-ZDUSSCGKSA-N 1 2 364.427 2.264 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000332530834 554464531 /nfs/dbraw/zinc/46/45/31/554464531.db2.gz FYVGELYGXLTBDA-AWEZNQCLSA-N 1 2 353.444 2.070 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000332530834 554464532 /nfs/dbraw/zinc/46/45/32/554464532.db2.gz FYVGELYGXLTBDA-AWEZNQCLSA-N 1 2 353.444 2.070 20 5 FEBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000510393293 561833359 /nfs/dbraw/zinc/83/33/59/561833359.db2.gz FTQBXHXASRLEPO-CYBMUJFWSA-N 1 2 351.366 2.480 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CCc1noc(-c2cc([N+](=O)[O-])nn2C)n1 ZINC000350199000 554766992 /nfs/dbraw/zinc/76/69/92/554766992.db2.gz HUQIEBINUYXPTA-UHFFFAOYSA-N 1 2 353.342 2.279 20 5 FEBDLO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362253542 554958402 /nfs/dbraw/zinc/95/84/02/554958402.db2.gz FGVWAXBDMDTYNG-KRWDZBQOSA-N 1 2 350.438 2.334 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H](C(F)(F)F)[C@@H](CO)C3)nc2c1 ZINC000511647537 561876351 /nfs/dbraw/zinc/87/63/51/561876351.db2.gz KNDIVNRZWOKKBP-KOLCDFICSA-N 1 2 358.320 2.464 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H](C(F)(F)F)[C@@H](CO)C3)nc2c1 ZINC000511647537 561876352 /nfs/dbraw/zinc/87/63/52/561876352.db2.gz KNDIVNRZWOKKBP-KOLCDFICSA-N 1 2 358.320 2.464 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000363090453 555028309 /nfs/dbraw/zinc/02/83/09/555028309.db2.gz ZUEDCPXXPWXTFP-UHFFFAOYSA-N 1 2 361.423 2.339 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[N@H+]1CCc2sccc2C1 ZINC000363090453 555028310 /nfs/dbraw/zinc/02/83/10/555028310.db2.gz ZUEDCPXXPWXTFP-UHFFFAOYSA-N 1 2 361.423 2.339 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000363199925 555052137 /nfs/dbraw/zinc/05/21/37/555052137.db2.gz BAZMAXXJRSBGQU-HIFRSBDPSA-N 1 2 373.413 2.464 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000363199925 555052138 /nfs/dbraw/zinc/05/21/38/555052138.db2.gz BAZMAXXJRSBGQU-HIFRSBDPSA-N 1 2 373.413 2.464 20 5 FEBDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cccc([N+](=O)[O-])c1Br ZINC000365250129 555522888 /nfs/dbraw/zinc/52/28/88/555522888.db2.gz YSDPPZCNYGZIPU-QMMMGPOBSA-N 1 2 365.187 2.368 20 5 FEBDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cccc([N+](=O)[O-])c1Br ZINC000365250129 555522889 /nfs/dbraw/zinc/52/28/89/555522889.db2.gz YSDPPZCNYGZIPU-QMMMGPOBSA-N 1 2 365.187 2.368 20 5 FEBDLO CC[C@H](C)NC(=O)CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513648663 561945772 /nfs/dbraw/zinc/94/57/72/561945772.db2.gz UHWHWZHSZVDRJC-SUMWQHHRSA-N 1 2 359.430 2.312 20 5 FEBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000366455914 555849129 /nfs/dbraw/zinc/84/91/29/555849129.db2.gz KCEMJDVKRBKGFV-CYBMUJFWSA-N 1 2 355.398 2.205 20 5 FEBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000366455914 555849131 /nfs/dbraw/zinc/84/91/31/555849131.db2.gz KCEMJDVKRBKGFV-CYBMUJFWSA-N 1 2 355.398 2.205 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000514083747 561960048 /nfs/dbraw/zinc/96/00/48/561960048.db2.gz MNBPUQDRLBGNDR-UHFFFAOYSA-N 1 2 359.430 2.045 20 5 FEBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366840253 555948294 /nfs/dbraw/zinc/94/82/94/555948294.db2.gz GELWXKCWIQMXOI-GFCCVEGCSA-N 1 2 354.794 2.187 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000366891847 555961447 /nfs/dbraw/zinc/96/14/47/555961447.db2.gz XOAZJIIWIFLNHK-QWHCGFSZSA-N 1 2 370.413 2.174 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000366891847 555961449 /nfs/dbraw/zinc/96/14/49/555961449.db2.gz XOAZJIIWIFLNHK-QWHCGFSZSA-N 1 2 370.413 2.174 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000367015051 555997853 /nfs/dbraw/zinc/99/78/53/555997853.db2.gz HYAVHJQUNXYMNQ-KRWDZBQOSA-N 1 2 365.434 2.304 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000367015051 555997857 /nfs/dbraw/zinc/99/78/57/555997857.db2.gz HYAVHJQUNXYMNQ-KRWDZBQOSA-N 1 2 365.434 2.304 20 5 FEBDLO NC(=O)c1cc(OC2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)ccn1 ZINC000367555672 556081547 /nfs/dbraw/zinc/08/15/47/556081547.db2.gz BVOQNJLCQZORLZ-UHFFFAOYSA-N 1 2 374.372 2.271 20 5 FEBDLO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000367612714 556096985 /nfs/dbraw/zinc/09/69/85/556096985.db2.gz QMMCPNPGLRUNCF-HNNXBMFYSA-N 1 2 352.354 2.481 20 5 FEBDLO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000367644652 556103850 /nfs/dbraw/zinc/10/38/50/556103850.db2.gz UIYCCCDDZCZQPF-CVEARBPZSA-N 1 2 371.393 2.185 20 5 FEBDLO O=[N+]([O-])c1cccc(CNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)c1 ZINC000515033766 561992952 /nfs/dbraw/zinc/99/29/52/561992952.db2.gz FTIMLVIMCBENAM-UHFFFAOYSA-N 1 2 372.406 2.318 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])cc(Br)c1F)N1CCn2c[nH+]cc2C1 ZINC000368201321 556246750 /nfs/dbraw/zinc/24/67/50/556246750.db2.gz LRJUWXZKBXVODF-UHFFFAOYSA-N 1 2 369.150 2.349 20 5 FEBDLO C[C@H](NC(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000369010668 556475114 /nfs/dbraw/zinc/47/51/14/556475114.db2.gz QYHIEYQFSFBHCG-HOCLYGCPSA-N 1 2 357.414 2.306 20 5 FEBDLO C[C@H](NC(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000369010668 556475118 /nfs/dbraw/zinc/47/51/18/556475118.db2.gz QYHIEYQFSFBHCG-HOCLYGCPSA-N 1 2 357.414 2.306 20 5 FEBDLO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1)C1CCC1 ZINC000369321668 556574394 /nfs/dbraw/zinc/57/43/94/556574394.db2.gz LIWGNUMYIGHPSD-UHFFFAOYSA-N 1 2 362.386 2.384 20 5 FEBDLO Nc1c(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc(F)cc1[N+](=O)[O-] ZINC000516101389 562030859 /nfs/dbraw/zinc/03/08/59/562030859.db2.gz SFVIMOLOPFZEFF-UHFFFAOYSA-N 1 2 369.356 2.491 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000369363536 556581015 /nfs/dbraw/zinc/58/10/15/556581015.db2.gz QZZBKCGCZGRXLD-CQSZACIVSA-N 1 2 364.427 2.038 20 5 FEBDLO O=C(NCCc1ccccc1[N+](=O)[O-])NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000369747771 556684360 /nfs/dbraw/zinc/68/43/60/556684360.db2.gz DYESISRTTMTQNM-UHFFFAOYSA-N 1 2 366.381 2.217 20 5 FEBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000370025644 556760468 /nfs/dbraw/zinc/76/04/68/556760468.db2.gz JKMKBNNTYGQFSD-UHFFFAOYSA-N 1 2 364.409 2.498 20 5 FEBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@@H]2C1 ZINC000371062216 557062602 /nfs/dbraw/zinc/06/26/02/557062602.db2.gz BEDKXGUMXKMRIZ-BRWVUGGUSA-N 1 2 364.398 2.230 20 5 FEBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@@H]2C1 ZINC000371062216 557062605 /nfs/dbraw/zinc/06/26/05/557062605.db2.gz BEDKXGUMXKMRIZ-BRWVUGGUSA-N 1 2 364.398 2.230 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000371288979 557132817 /nfs/dbraw/zinc/13/28/17/557132817.db2.gz GXAZEROXHMPHNV-AWEZNQCLSA-N 1 2 364.427 2.097 20 5 FEBDLO CCc1n[nH]c(C(=O)NCc2cccc(-c3[nH+]ccn3C)c2)c1[N+](=O)[O-] ZINC000371432034 557185481 /nfs/dbraw/zinc/18/54/81/557185481.db2.gz IKUIXRQGIHJKEL-UHFFFAOYSA-N 1 2 354.370 2.211 20 5 FEBDLO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000517414942 562089722 /nfs/dbraw/zinc/08/97/22/562089722.db2.gz MFZKLALUEDBOBC-RYUDHWBXSA-N 1 2 359.423 2.275 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000371896365 557323494 /nfs/dbraw/zinc/32/34/94/557323494.db2.gz SSNUDIVVOVCEKO-LBPRGKRZSA-N 1 2 350.400 2.195 20 5 FEBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371963194 557341475 /nfs/dbraw/zinc/34/14/75/557341475.db2.gz ZQOSVLQQCGTISC-LLVKDONJSA-N 1 2 354.363 2.291 20 5 FEBDLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000371994555 557350854 /nfs/dbraw/zinc/35/08/54/557350854.db2.gz XTDZBKLRUCSOAZ-ZBFHGGJFSA-N 1 2 351.378 2.107 20 5 FEBDLO COc1ccc(OCC[N@@H+]2CCO[C@@H](COC(C)C)C2)c([N+](=O)[O-])c1 ZINC000372167256 557397950 /nfs/dbraw/zinc/39/79/50/557397950.db2.gz PYSPSXCQHZCJHU-OAHLLOKOSA-N 1 2 354.403 2.108 20 5 FEBDLO COc1ccc(OCC[N@H+]2CCO[C@@H](COC(C)C)C2)c([N+](=O)[O-])c1 ZINC000372167256 557397955 /nfs/dbraw/zinc/39/79/55/557397955.db2.gz PYSPSXCQHZCJHU-OAHLLOKOSA-N 1 2 354.403 2.108 20 5 FEBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3nnc(C4CC4)n3C3CC3)CC2)n1 ZINC000373294307 557667270 /nfs/dbraw/zinc/66/72/70/557667270.db2.gz RJSNURXGIBVQFV-UHFFFAOYSA-N 1 2 357.418 2.432 20 5 FEBDLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520222451 562150957 /nfs/dbraw/zinc/15/09/57/562150957.db2.gz JIEXJXJGPZLLFQ-SFHVURJKSA-N 1 2 373.384 2.365 20 5 FEBDLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520222451 562150958 /nfs/dbraw/zinc/15/09/58/562150958.db2.gz JIEXJXJGPZLLFQ-SFHVURJKSA-N 1 2 373.384 2.365 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000373802344 557762390 /nfs/dbraw/zinc/76/23/90/557762390.db2.gz XJRWPRGQCRDVHM-GFCCVEGCSA-N 1 2 350.400 2.461 20 5 FEBDLO CCOC1CC(CNc2c(OC)cccc2[N+](=O)[O-])([NH+]2CCOCC2)C1 ZINC000520609001 562160186 /nfs/dbraw/zinc/16/01/86/562160186.db2.gz CHXQIAFDJWPKFB-UHFFFAOYSA-N 1 2 365.430 2.285 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc3c(cc1[N+](=O)[O-])OCCO3)CCC2 ZINC000374411432 557880447 /nfs/dbraw/zinc/88/04/47/557880447.db2.gz LFWBFNKGXZVDOV-LBPRGKRZSA-N 1 2 372.381 2.178 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000374433335 557883562 /nfs/dbraw/zinc/88/35/62/557883562.db2.gz AOYHVMYBUBVWOZ-LSDHHAIUSA-N 1 2 356.382 2.279 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])CCC2 ZINC000374438742 557884263 /nfs/dbraw/zinc/88/42/63/557884263.db2.gz RLYKCUAXLHFSTI-CQSZACIVSA-N 1 2 357.414 2.230 20 5 FEBDLO Cc1ccc(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000521133427 562170162 /nfs/dbraw/zinc/17/01/62/562170162.db2.gz VFJJFMLELFYAEF-UHFFFAOYSA-N 1 2 351.366 2.456 20 5 FEBDLO CN(C(=O)C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000374895438 557947323 /nfs/dbraw/zinc/94/73/23/557947323.db2.gz JQSATKCPTDZJSR-IBGZPJMESA-N 1 2 373.384 2.290 20 5 FEBDLO CN(C(=O)C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000374895438 557947324 /nfs/dbraw/zinc/94/73/24/557947324.db2.gz JQSATKCPTDZJSR-IBGZPJMESA-N 1 2 373.384 2.290 20 5 FEBDLO O=[N+]([O-])c1cnn([C@H]2CCCN(c3cc(N4CCCCC4)[nH+]cn3)C2)c1 ZINC000375393914 558020276 /nfs/dbraw/zinc/02/02/76/558020276.db2.gz WLYKAJJJHYXFTN-AWEZNQCLSA-N 1 2 357.418 2.413 20 5 FEBDLO O=[N+]([O-])c1cnn([C@H]2CCCN(c3cc(N4CCCCC4)nc[nH+]3)C2)c1 ZINC000375393914 558020277 /nfs/dbraw/zinc/02/02/77/558020277.db2.gz WLYKAJJJHYXFTN-AWEZNQCLSA-N 1 2 357.418 2.413 20 5 FEBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000375499150 558038350 /nfs/dbraw/zinc/03/83/50/558038350.db2.gz VAOHRYQGQONJAN-GYSYKLTISA-N 1 2 368.231 2.443 20 5 FEBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000375499150 558038351 /nfs/dbraw/zinc/03/83/51/558038351.db2.gz VAOHRYQGQONJAN-GYSYKLTISA-N 1 2 368.231 2.443 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000375936215 558102184 /nfs/dbraw/zinc/10/21/84/558102184.db2.gz ZNFAEABUCMHKRD-LLVKDONJSA-N 1 2 368.390 2.036 20 5 FEBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000376392981 558167400 /nfs/dbraw/zinc/16/74/00/558167400.db2.gz YVBXQCKXIVTVEL-UHFFFAOYSA-N 1 2 354.370 2.413 20 5 FEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000377187144 558284084 /nfs/dbraw/zinc/28/40/84/558284084.db2.gz ZILJCRJMAVYZIX-HWPZZCPQSA-N 1 2 353.806 2.422 20 5 FEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000377187144 558284086 /nfs/dbraw/zinc/28/40/86/558284086.db2.gz ZILJCRJMAVYZIX-HWPZZCPQSA-N 1 2 353.806 2.422 20 5 FEBDLO CCCC(=O)N1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000377445412 558342405 /nfs/dbraw/zinc/34/24/05/558342405.db2.gz QWXIGHDJYGZWPN-CQSZACIVSA-N 1 2 362.430 2.256 20 5 FEBDLO CCCC(=O)N1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000377445412 558342408 /nfs/dbraw/zinc/34/24/08/558342408.db2.gz QWXIGHDJYGZWPN-CQSZACIVSA-N 1 2 362.430 2.256 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000523225724 562209871 /nfs/dbraw/zinc/20/98/71/562209871.db2.gz ICXSZAQZUKZCST-UHFFFAOYSA-N 1 2 356.386 2.001 20 5 FEBDLO CCc1n[nH]c(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000523242760 562210161 /nfs/dbraw/zinc/21/01/61/562210161.db2.gz VBSPHUHQYGCUPR-ZDUSSCGKSA-N 1 2 372.360 2.272 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000378260804 558514312 /nfs/dbraw/zinc/51/43/12/558514312.db2.gz IQFJFGYMUUDJMV-SNVBAGLBSA-N 1 2 370.818 2.160 20 5 FEBDLO Cc1[nH+]c2n(c1CN1CCN(c3ncccc3[N+](=O)[O-])CC1)CCCC2 ZINC000378524522 558575034 /nfs/dbraw/zinc/57/50/34/558575034.db2.gz BHRKOJGTUJOOKL-UHFFFAOYSA-N 1 2 356.430 2.153 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000408181167 558654343 /nfs/dbraw/zinc/65/43/43/558654343.db2.gz ACOPTENQJASEEX-ZIAGYGMSSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000408181167 558654344 /nfs/dbraw/zinc/65/43/44/558654344.db2.gz ACOPTENQJASEEX-ZIAGYGMSSA-N 1 2 353.444 2.151 20 5 FEBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000408446590 558678043 /nfs/dbraw/zinc/67/80/43/558678043.db2.gz NCYVWIMTFKIBBP-QZTJIDSGSA-N 1 2 359.426 2.123 20 5 FEBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000408446590 558678044 /nfs/dbraw/zinc/67/80/44/558678044.db2.gz NCYVWIMTFKIBBP-QZTJIDSGSA-N 1 2 359.426 2.123 20 5 FEBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCC[N@@H+]1CCOC(C)(C)C1 ZINC000524848314 562236028 /nfs/dbraw/zinc/23/60/28/562236028.db2.gz QXKBKGORTKFLIQ-UHFFFAOYSA-N 1 2 369.393 2.433 20 5 FEBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCC[N@H+]1CCOC(C)(C)C1 ZINC000524848314 562236029 /nfs/dbraw/zinc/23/60/29/562236029.db2.gz QXKBKGORTKFLIQ-UHFFFAOYSA-N 1 2 369.393 2.433 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000411525017 558910399 /nfs/dbraw/zinc/91/03/99/558910399.db2.gz BQHWSFPMNQDFJO-HNNXBMFYSA-N 1 2 371.397 2.151 20 5 FEBDLO COC(=O)[C@]1(C)CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000412077123 559010474 /nfs/dbraw/zinc/01/04/74/559010474.db2.gz TTYKOUDBSUYZTD-MRXNPFEDSA-N 1 2 369.805 2.462 20 5 FEBDLO COC(=O)[C@]1(C)CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000412077123 559010476 /nfs/dbraw/zinc/01/04/76/559010476.db2.gz TTYKOUDBSUYZTD-MRXNPFEDSA-N 1 2 369.805 2.462 20 5 FEBDLO O=C(N[C@H]1CCCC(F)(F)[C@@H]1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000412813400 559057089 /nfs/dbraw/zinc/05/70/89/559057089.db2.gz OKKSUJRJGLTICD-SMDDNHRTSA-N 1 2 366.324 2.059 20 5 FEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@@H](n4cc(CO)nn4)C3)c2c1 ZINC000413299886 559096814 /nfs/dbraw/zinc/09/68/14/559096814.db2.gz PCKQTOVAAZJYCB-OAHLLOKOSA-N 1 2 354.370 2.068 20 5 FEBDLO Cc1cnc(CCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])cn1 ZINC000413350042 559100728 /nfs/dbraw/zinc/10/07/28/559100728.db2.gz VAMKUKHGKUNIJP-UHFFFAOYSA-N 1 2 357.414 2.180 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCO[C@H](C2CCC2)C1 ZINC000413475951 559110613 /nfs/dbraw/zinc/11/06/13/559110613.db2.gz LJNVOQVLNSFDHZ-IBGZPJMESA-N 1 2 361.442 2.432 20 5 FEBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413969657 559144129 /nfs/dbraw/zinc/14/41/29/559144129.db2.gz VNARXSHBLUVEET-CYBMUJFWSA-N 1 2 367.471 2.302 20 5 FEBDLO COc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]([C@@H](C)O)C3)o2)c([N+](=O)[O-])c1 ZINC000414584884 559173440 /nfs/dbraw/zinc/17/34/40/559173440.db2.gz NERPCWXILFOZEO-KZULUSFZSA-N 1 2 362.382 2.445 20 5 FEBDLO COc1ccc(-c2ccc(C[N@H+]3CCO[C@@H]([C@@H](C)O)C3)o2)c([N+](=O)[O-])c1 ZINC000414584884 559173442 /nfs/dbraw/zinc/17/34/42/559173442.db2.gz NERPCWXILFOZEO-KZULUSFZSA-N 1 2 362.382 2.445 20 5 FEBDLO CN(C)c1[nH]c2ccc(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)cc2[nH+]1 ZINC000416220346 559299210 /nfs/dbraw/zinc/29/92/10/559299210.db2.gz JNGMKUXTRVEATK-UHFFFAOYSA-N 1 2 357.374 2.107 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000416990443 559342409 /nfs/dbraw/zinc/34/24/09/559342409.db2.gz BUFSMLWEVBRJMM-UHFFFAOYSA-N 1 2 350.419 2.444 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420703816 559499376 /nfs/dbraw/zinc/49/93/76/559499376.db2.gz VIXOCGLGEMRHKD-UHFFFAOYSA-N 1 2 351.384 2.094 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421251639 559533695 /nfs/dbraw/zinc/53/36/95/559533695.db2.gz QIAGRLDMLYKYQI-UHFFFAOYSA-N 1 2 372.381 2.260 20 5 FEBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000425320563 559696550 /nfs/dbraw/zinc/69/65/50/559696550.db2.gz QYRMKIICOWNQGT-UHFFFAOYSA-N 1 2 368.397 2.300 20 5 FEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425441173 559702516 /nfs/dbraw/zinc/70/25/16/559702516.db2.gz HYVCGJPWDOUHHB-LQJRIPTKSA-N 1 2 368.231 2.443 20 5 FEBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425441173 559702517 /nfs/dbraw/zinc/70/25/17/559702517.db2.gz HYVCGJPWDOUHHB-LQJRIPTKSA-N 1 2 368.231 2.443 20 5 FEBDLO COC[C@]1(CO)CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425498794 559705690 /nfs/dbraw/zinc/70/56/90/559705690.db2.gz ZAPJIYAOEGKUHL-CQSZACIVSA-N 1 2 359.220 2.188 20 5 FEBDLO COC[C@]1(CO)CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425498794 559705691 /nfs/dbraw/zinc/70/56/91/559705691.db2.gz ZAPJIYAOEGKUHL-CQSZACIVSA-N 1 2 359.220 2.188 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000430205656 559815335 /nfs/dbraw/zinc/81/53/35/559815335.db2.gz JHTAVRMSEMRGHF-UHFFFAOYSA-N 1 2 369.377 2.331 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000430205656 559815336 /nfs/dbraw/zinc/81/53/36/559815336.db2.gz JHTAVRMSEMRGHF-UHFFFAOYSA-N 1 2 369.377 2.331 20 5 FEBDLO CCOc1ccc(C(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000433113591 559872206 /nfs/dbraw/zinc/87/22/06/559872206.db2.gz LGSYZCAKWJUVKB-OAHLLOKOSA-N 1 2 373.413 2.236 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000436678610 559948536 /nfs/dbraw/zinc/94/85/36/559948536.db2.gz HGHANEQNAIUQQE-OAHLLOKOSA-N 1 2 363.414 2.017 20 5 FEBDLO O=C(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccccc1F ZINC000440502889 560012593 /nfs/dbraw/zinc/01/25/93/560012593.db2.gz SNDZYRKJJSPCGL-LBPRGKRZSA-N 1 2 359.361 2.254 20 5 FEBDLO O=C(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccccc1F ZINC000440502889 560012594 /nfs/dbraw/zinc/01/25/94/560012594.db2.gz SNDZYRKJJSPCGL-LBPRGKRZSA-N 1 2 359.361 2.254 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)CCC2 ZINC000443761116 560092086 /nfs/dbraw/zinc/09/20/86/560092086.db2.gz SGKJSIGSVPFVQC-SNVBAGLBSA-N 1 2 356.429 2.017 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1nnc(C2CC2)o1 ZINC000447811096 560169796 /nfs/dbraw/zinc/16/97/96/560169796.db2.gz CKKVXFWINLNTSG-UHFFFAOYSA-N 1 2 359.386 2.300 20 5 FEBDLO CC(C)C[NH+]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000448601219 560192052 /nfs/dbraw/zinc/19/20/52/560192052.db2.gz QUNAIWPATLIWRU-UHFFFAOYSA-N 1 2 357.414 2.399 20 5 FEBDLO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000449562320 560233586 /nfs/dbraw/zinc/23/35/86/560233586.db2.gz JFSIKUXDLXLLPQ-LBPRGKRZSA-N 1 2 362.386 2.214 20 5 FEBDLO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000449957290 560246364 /nfs/dbraw/zinc/24/63/64/560246364.db2.gz BYMXPYPYXLPTBI-GFCCVEGCSA-N 1 2 373.331 2.160 20 5 FEBDLO O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450224295 560254523 /nfs/dbraw/zinc/25/45/23/560254523.db2.gz UHKYYXNFKYSJHG-XYPHTWIQSA-N 1 2 368.393 2.468 20 5 FEBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H](O)C(F)(F)F ZINC000450315446 560258226 /nfs/dbraw/zinc/25/82/26/560258226.db2.gz DKVWPBIJSJJHHT-GWCFXTLKSA-N 1 2 372.303 2.212 20 5 FEBDLO CNc1nc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)[nH+]c2ccccc21 ZINC000450480222 560263631 /nfs/dbraw/zinc/26/36/31/560263631.db2.gz AOPDBAQPKLYAEZ-UHFFFAOYSA-N 1 2 353.386 2.618 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000450531844 560265409 /nfs/dbraw/zinc/26/54/09/560265409.db2.gz LFKYGWJSNPZFJK-CQSZACIVSA-N 1 2 367.369 2.266 20 5 FEBDLO Cn1ncc2c1nc(N1CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C1)[nH+]c2N ZINC000450769594 560272708 /nfs/dbraw/zinc/27/27/08/560272708.db2.gz WNJNPXHXWUQBJF-GFCCVEGCSA-N 1 2 353.386 2.238 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451883023 560334280 /nfs/dbraw/zinc/33/42/80/560334280.db2.gz CUSDYRCSBQLQMY-IINYFYTJSA-N 1 2 361.320 2.087 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451883023 560334281 /nfs/dbraw/zinc/33/42/81/560334281.db2.gz CUSDYRCSBQLQMY-IINYFYTJSA-N 1 2 361.320 2.087 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H]([C@@H](O)C(F)(F)F)C3)n2)cc1 ZINC000451882144 560334339 /nfs/dbraw/zinc/33/43/39/560334339.db2.gz CJAWMEBTAHQQRS-GXFFZTMASA-N 1 2 372.303 2.390 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H]([C@@H](O)C(F)(F)F)C3)n2)cc1 ZINC000451882144 560334340 /nfs/dbraw/zinc/33/43/40/560334340.db2.gz CJAWMEBTAHQQRS-GXFFZTMASA-N 1 2 372.303 2.390 20 5 FEBDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000451964545 560340847 /nfs/dbraw/zinc/34/08/47/560340847.db2.gz BIAGLECVNVCBCS-NSHDSACASA-N 1 2 361.851 2.353 20 5 FEBDLO COc1ccc(S(=O)(=O)NCc2c[nH+]c(C)cc2C)cc1[N+](=O)[O-] ZINC000452048756 560347866 /nfs/dbraw/zinc/34/78/66/560347866.db2.gz QLTGSSMGNDELHM-UHFFFAOYSA-N 1 2 351.384 2.094 20 5 FEBDLO COC(=O)[C@@H](CC(C)C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452930715 560378250 /nfs/dbraw/zinc/37/82/50/560378250.db2.gz PPEYNYAGINZFDJ-MRXNPFEDSA-N 1 2 374.397 2.440 20 5 FEBDLO O=C(N[C@@H]([C@@H](CO)C1CC1)C1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452974661 560379675 /nfs/dbraw/zinc/37/96/75/560379675.db2.gz ZXSMPMFKOHTBJU-MAUKXSAKSA-N 1 2 370.409 2.307 20 5 FEBDLO Cc1ccn2c(CN3CCN(c4ncccc4[N+](=O)[O-])CC3)c[nH+]c2c1 ZINC000453581221 560389648 /nfs/dbraw/zinc/38/96/48/560389648.db2.gz VHEOVZACQPZCDH-UHFFFAOYSA-N 1 2 352.398 2.268 20 5 FEBDLO Cc1ccn2c(C[NH+]3CCN(c4ncccc4[N+](=O)[O-])CC3)cnc2c1 ZINC000453581221 560389649 /nfs/dbraw/zinc/38/96/49/560389649.db2.gz VHEOVZACQPZCDH-UHFFFAOYSA-N 1 2 352.398 2.268 20 5 FEBDLO Cc1cc(C(=O)N2CC[N@H+](CC=Cc3ccccc3[N+](=O)[O-])[C@H](C)C2)[nH]n1 ZINC000453623989 560391807 /nfs/dbraw/zinc/39/18/07/560391807.db2.gz YIXLQDUVQJUPGE-ZQMJAJRESA-N 1 2 369.425 2.486 20 5 FEBDLO Cc1cc(C(=O)N2CC[N@@H+](CC=Cc3ccccc3[N+](=O)[O-])[C@H](C)C2)[nH]n1 ZINC000453623989 560391808 /nfs/dbraw/zinc/39/18/08/560391808.db2.gz YIXLQDUVQJUPGE-ZQMJAJRESA-N 1 2 369.425 2.486 20 5 FEBDLO CNc1nc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)ccc1[N+](=O)[O-] ZINC000455237065 560475146 /nfs/dbraw/zinc/47/51/46/560475146.db2.gz PFAMJALVCRPSMX-UHFFFAOYSA-N 1 2 359.386 2.324 20 5 FEBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000456199615 560510710 /nfs/dbraw/zinc/51/07/10/560510710.db2.gz HKHHYVZZFJWBNH-TXEJJXNPSA-N 1 2 373.331 2.207 20 5 FEBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000456199615 560510711 /nfs/dbraw/zinc/51/07/11/560510711.db2.gz HKHHYVZZFJWBNH-TXEJJXNPSA-N 1 2 373.331 2.207 20 5 FEBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000456214277 560511798 /nfs/dbraw/zinc/51/17/98/560511798.db2.gz JQGPFFGHTXBBMM-TXEJJXNPSA-N 1 2 373.331 2.207 20 5 FEBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000456214277 560511799 /nfs/dbraw/zinc/51/17/99/560511799.db2.gz JQGPFFGHTXBBMM-TXEJJXNPSA-N 1 2 373.331 2.207 20 5 FEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000456404365 560519389 /nfs/dbraw/zinc/51/93/89/560519389.db2.gz XFTBKINLDQLVGD-NSHDSACASA-N 1 2 369.385 2.191 20 5 FEBDLO Cn1c[nH+]c(CCNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000459153011 560670754 /nfs/dbraw/zinc/67/07/54/560670754.db2.gz RLYLYEQUCAPIOP-OAHLLOKOSA-N 1 2 357.414 2.460 20 5 FEBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000464280705 560837830 /nfs/dbraw/zinc/83/78/30/560837830.db2.gz GKTIGNLFJISGOV-UHFFFAOYSA-N 1 2 368.397 2.085 20 5 FEBDLO COc1cc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])cc1OC ZINC000469426928 560955105 /nfs/dbraw/zinc/95/51/05/560955105.db2.gz VLBQLTMIPVTNPH-ZDUSSCGKSA-N 1 2 373.365 2.301 20 5 FEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000470177770 560976225 /nfs/dbraw/zinc/97/62/25/560976225.db2.gz FVSXARJCQMKSFM-IRVMHKCDSA-N 1 2 372.469 2.283 20 5 FEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000470177770 560976226 /nfs/dbraw/zinc/97/62/26/560976226.db2.gz FVSXARJCQMKSFM-IRVMHKCDSA-N 1 2 372.469 2.283 20 5 FEBDLO CCN1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000471060668 560997206 /nfs/dbraw/zinc/99/72/06/560997206.db2.gz BVPXLYRYCNGCFP-CJNGLKHVSA-N 1 2 372.429 2.024 20 5 FEBDLO CCN1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000471091108 560998245 /nfs/dbraw/zinc/99/82/45/560998245.db2.gz QLMJRWXUHWOOOI-BBRMVZONSA-N 1 2 372.429 2.024 20 5 FEBDLO COC(=O)COc1ccc(C[NH2+][C@H](C)c2nnc(C)s2)cc1[N+](=O)[O-] ZINC000473990482 561063074 /nfs/dbraw/zinc/06/30/74/561063074.db2.gz VWIIKMPNOOOCDM-SECBINFHSA-N 1 2 366.399 2.157 20 5 FEBDLO CC[C@]1(C)C[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCO1 ZINC000475138136 561091430 /nfs/dbraw/zinc/09/14/30/561091430.db2.gz MFSCHZBZCRWOEW-QGZVFWFLSA-N 1 2 352.387 2.148 20 5 FEBDLO CC[C@]1(C)C[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCO1 ZINC000475138136 561091431 /nfs/dbraw/zinc/09/14/31/561091431.db2.gz MFSCHZBZCRWOEW-QGZVFWFLSA-N 1 2 352.387 2.148 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000475640723 561101400 /nfs/dbraw/zinc/10/14/00/561101400.db2.gz ICZVAPMRMYOGBP-UHFFFAOYSA-N 1 2 372.429 2.295 20 5 FEBDLO CCOc1cc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])cc1OC ZINC000534410012 562533726 /nfs/dbraw/zinc/53/37/26/562533726.db2.gz BNYXFIBYXSYUAJ-LBPRGKRZSA-N 1 2 374.397 2.365 20 5 FEBDLO Cn1c[nH+]c2cc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])ccc21 ZINC000540696559 562591464 /nfs/dbraw/zinc/59/14/64/562591464.db2.gz SBVLEROZBRRAIH-UHFFFAOYSA-N 1 2 360.395 2.466 20 5 FEBDLO Cc1c(Br)c(=O)n(Cc2[nH+]ccn2C(F)F)cc1[N+](=O)[O-] ZINC000541286810 562608089 /nfs/dbraw/zinc/60/80/89/562608089.db2.gz VUJJGCXLFKIZTB-UHFFFAOYSA-N 1 2 363.118 2.467 20 5 FEBDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000602485001 567985276 /nfs/dbraw/zinc/98/52/76/567985276.db2.gz LXNVZPNVPVBOBG-UHFFFAOYSA-N 1 2 368.315 2.266 20 5 FEBDLO Cn1nc2c(cc1=O)C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000602485001 567985277 /nfs/dbraw/zinc/98/52/77/567985277.db2.gz LXNVZPNVPVBOBG-UHFFFAOYSA-N 1 2 368.315 2.266 20 5 FEBDLO CN(CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000569127512 568285278 /nfs/dbraw/zinc/28/52/78/568285278.db2.gz BAIPGBKRPIRHKS-UHFFFAOYSA-N 1 2 368.437 2.489 20 5 FEBDLO CCS(=O)(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000809736115 674507823 /nfs/dbraw/zinc/50/78/23/674507823.db2.gz FKMIWKQDZBWNBN-UHFFFAOYSA-N 1 2 361.851 2.152 20 5 FEBDLO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809837289 674515149 /nfs/dbraw/zinc/51/51/49/674515149.db2.gz WVADHUVKEKSJCS-VIFPVBQESA-N 1 2 365.814 2.150 20 5 FEBDLO C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809837289 674515150 /nfs/dbraw/zinc/51/51/50/674515150.db2.gz WVADHUVKEKSJCS-VIFPVBQESA-N 1 2 365.814 2.150 20 5 FEBDLO O=[N+]([O-])c1cc(NCCCCNc2cccc[nH+]2)ccc1-c1nn[nH]n1 ZINC000826498296 607841604 /nfs/dbraw/zinc/84/16/04/607841604.db2.gz ORXSFCPIFOGGBT-UHFFFAOYSA-N 1 2 354.374 2.474 20 5 FEBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1ccc(F)c(-c3nn[nH]n3)c1)C2 ZINC000826499868 607943564 /nfs/dbraw/zinc/94/35/64/607943564.db2.gz BNTIWBDAGJMWLN-UHFFFAOYSA-N 1 2 354.345 2.472 20 5 FEBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1ccc(F)c(-c3nn[nH]n3)c1)C2 ZINC000826499868 607943565 /nfs/dbraw/zinc/94/35/65/607943565.db2.gz BNTIWBDAGJMWLN-UHFFFAOYSA-N 1 2 354.345 2.472 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)C2CC2)cc1 ZINC000826498286 608173209 /nfs/dbraw/zinc/17/32/09/608173209.db2.gz OJWGHOLQSISWJZ-UHFFFAOYSA-N 1 2 351.370 2.335 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)C2CC2)cc1 ZINC000826498286 608173211 /nfs/dbraw/zinc/17/32/11/608173211.db2.gz OJWGHOLQSISWJZ-UHFFFAOYSA-N 1 2 351.370 2.335 20 5 FEBDLO CC(C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)[NH+]1CCOCC1 ZINC000816839619 675082346 /nfs/dbraw/zinc/08/23/46/675082346.db2.gz LFDHFRSMGUIWDU-AWEZNQCLSA-N 1 2 355.822 2.335 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000610213756 675959740 /nfs/dbraw/zinc/95/97/40/675959740.db2.gz PGONWAQIYBZQML-ZDUSSCGKSA-N 1 2 351.403 2.026 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000610213756 675959742 /nfs/dbraw/zinc/95/97/42/675959742.db2.gz PGONWAQIYBZQML-ZDUSSCGKSA-N 1 2 351.403 2.026 20 5 FEBDLO C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000610912387 676005221 /nfs/dbraw/zinc/00/52/21/676005221.db2.gz DPTGJEUAZARSAV-RNCFNFMXSA-N 1 2 361.320 2.063 20 5 FEBDLO C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000610912387 676005224 /nfs/dbraw/zinc/00/52/24/676005224.db2.gz DPTGJEUAZARSAV-RNCFNFMXSA-N 1 2 361.320 2.063 20 5 FEBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccc([N+](=O)[O-])cc1Br ZINC000587066453 672440505 /nfs/dbraw/zinc/44/05/05/672440505.db2.gz QXMQYMKHUNPQRP-VIFPVBQESA-N 1 2 365.187 2.299 20 5 FEBDLO CC(C)(CNC(=O)CSc1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000193505880 672726959 /nfs/dbraw/zinc/72/69/59/672726959.db2.gz FRDCYEQVUQOZTC-UHFFFAOYSA-N 1 2 371.434 2.053 20 5 FEBDLO Cn1ccnc1[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000595068997 673190520 /nfs/dbraw/zinc/19/05/20/673190520.db2.gz LZAAUIGHSIQQKC-KGLIPLIRSA-N 1 2 352.341 2.432 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000595393471 673240969 /nfs/dbraw/zinc/24/09/69/673240969.db2.gz BITOPGAQQNTIIW-MRXNPFEDSA-N 1 2 361.423 2.148 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000595393471 673240970 /nfs/dbraw/zinc/24/09/70/673240970.db2.gz BITOPGAQQNTIIW-MRXNPFEDSA-N 1 2 361.423 2.148 20 5 FEBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000598949591 673624268 /nfs/dbraw/zinc/62/42/68/673624268.db2.gz WYHGPBYUDSMTRJ-JTQLQIEISA-N 1 2 365.187 2.299 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599392767 673668768 /nfs/dbraw/zinc/66/87/68/673668768.db2.gz ZZOCXLKDFOXKFN-CYBMUJFWSA-N 1 2 371.434 2.419 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000599392767 673668770 /nfs/dbraw/zinc/66/87/70/673668770.db2.gz ZZOCXLKDFOXKFN-CYBMUJFWSA-N 1 2 371.434 2.419 20 5 FEBDLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000601850964 673898534 /nfs/dbraw/zinc/89/85/34/673898534.db2.gz JIEQQWGYIJKTHG-UHFFFAOYSA-N 1 2 358.423 2.473 20 5 FEBDLO COC(=O)c1csc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000602439119 673906363 /nfs/dbraw/zinc/90/63/63/673906363.db2.gz MVKZCPJJOFDNIM-UHFFFAOYSA-N 1 2 362.411 2.160 20 5 FEBDLO CO[C@@]1(CO)CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000826951701 675718180 /nfs/dbraw/zinc/71/81/80/675718180.db2.gz BTVCAOLHHFMIIX-AWEZNQCLSA-N 1 2 359.220 2.331 20 5 FEBDLO CO[C@@]1(CO)CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000826951701 675718182 /nfs/dbraw/zinc/71/81/82/675718182.db2.gz BTVCAOLHHFMIIX-AWEZNQCLSA-N 1 2 359.220 2.331 20 5 FEBDLO CSc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000603448739 675799553 /nfs/dbraw/zinc/79/95/53/675799553.db2.gz UJZJQXPXWHVVQJ-AWEZNQCLSA-N 1 2 365.455 2.254 20 5 FEBDLO Cn1c[nH+]cc1CC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839870035 680784668 /nfs/dbraw/zinc/78/46/68/680784668.db2.gz QYCUKNZJSSSXRS-CYBMUJFWSA-N 1 2 360.267 2.430 20 5 FEBDLO O=C(NC1(C2CC[NH+](CC=C(Cl)Cl)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000154982 680421594 /nfs/dbraw/zinc/42/15/94/680421594.db2.gz QGZZARSUOIVSID-VXGBXAGGSA-N 1 2 362.257 2.331 20 5 FEBDLO Cn1c[nH+]cc1CCOC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000837571116 680620932 /nfs/dbraw/zinc/62/09/32/680620932.db2.gz OTFCYVWYKGSSIF-UHFFFAOYSA-N 1 2 368.187 2.419 20 5 FEBDLO CC(C)[C@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000844148872 681041896 /nfs/dbraw/zinc/04/18/96/681041896.db2.gz HSXMSUQTTJLDHE-HNNXBMFYSA-N 1 2 355.822 2.335 20 5 FEBDLO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844760618 681080561 /nfs/dbraw/zinc/08/05/61/681080561.db2.gz XEMACIISHNKRPF-LSDHHAIUSA-N 1 2 353.325 2.221 20 5 FEBDLO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844760618 681080562 /nfs/dbraw/zinc/08/05/62/681080562.db2.gz XEMACIISHNKRPF-LSDHHAIUSA-N 1 2 353.325 2.221 20 5 FEBDLO CCON(C)C(=O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000846063725 681178129 /nfs/dbraw/zinc/17/81/29/681178129.db2.gz XCIANGBGCDJNML-UHFFFAOYSA-N 1 2 350.400 2.218 20 5 FEBDLO Cc1noc([C@@H](C)[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)n1 ZINC000847055864 681326161 /nfs/dbraw/zinc/32/61/61/681326161.db2.gz GCUMXIMDHANZNQ-SECBINFHSA-N 1 2 351.338 2.447 20 5 FEBDLO Cc1noc([C@@H](C)[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)n1 ZINC000847055864 681326166 /nfs/dbraw/zinc/32/61/66/681326166.db2.gz GCUMXIMDHANZNQ-SECBINFHSA-N 1 2 351.338 2.447 20 5 FEBDLO C[C@@H](CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847181459 681341206 /nfs/dbraw/zinc/34/12/06/681341206.db2.gz JHJKYNVHAUSYLK-GARJFASQSA-N 1 2 357.357 2.101 20 5 FEBDLO C[C@@H](CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847181459 681341208 /nfs/dbraw/zinc/34/12/08/681341208.db2.gz JHJKYNVHAUSYLK-GARJFASQSA-N 1 2 357.357 2.101 20 5 FEBDLO C[C@@H]1[C@@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)CCN1C(=O)OC(C)(C)C ZINC000776606776 681415418 /nfs/dbraw/zinc/41/54/18/681415418.db2.gz NONXYYJVNZOYTP-CHWSQXEVSA-N 1 2 353.423 2.121 20 5 FEBDLO C[C@@H]1[C@@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCN1C(=O)OC(C)(C)C ZINC000776606776 681415421 /nfs/dbraw/zinc/41/54/21/681415421.db2.gz NONXYYJVNZOYTP-CHWSQXEVSA-N 1 2 353.423 2.121 20 5 FEBDLO C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000913877020 685487360 /nfs/dbraw/zinc/48/73/60/685487360.db2.gz TZYAEOBVLZSSOC-CYBMUJFWSA-N 1 2 350.419 2.066 20 5 FEBDLO CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H]2CC[N@H+](CCF)C2)cc1OC ZINC000788082362 682502428 /nfs/dbraw/zinc/50/24/28/682502428.db2.gz XYXFXCOQFQIPKM-NSHDSACASA-N 1 2 356.350 2.203 20 5 FEBDLO CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H]2CC[N@@H+](CCF)C2)cc1OC ZINC000788082362 682502429 /nfs/dbraw/zinc/50/24/29/682502429.db2.gz XYXFXCOQFQIPKM-NSHDSACASA-N 1 2 356.350 2.203 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)cc1Cl ZINC000855408237 682666538 /nfs/dbraw/zinc/66/65/38/682666538.db2.gz RGYUVMVBEHUWEN-VXGBXAGGSA-N 1 2 355.822 2.396 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1Cl ZINC000855408237 682666540 /nfs/dbraw/zinc/66/65/40/682666540.db2.gz RGYUVMVBEHUWEN-VXGBXAGGSA-N 1 2 355.822 2.396 20 5 FEBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857983675 682929684 /nfs/dbraw/zinc/92/96/84/682929684.db2.gz BTLRPWDPYJJAKL-MWLCHTKSSA-N 1 2 350.762 2.473 20 5 FEBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000796555664 683170429 /nfs/dbraw/zinc/17/04/29/683170429.db2.gz FHKRPWFSURQNAU-HNNXBMFYSA-N 1 2 351.790 2.171 20 5 FEBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000796555664 683170430 /nfs/dbraw/zinc/17/04/30/683170430.db2.gz FHKRPWFSURQNAU-HNNXBMFYSA-N 1 2 351.790 2.171 20 5 FEBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NCC[NH+]2CCCCC2)cc1Cl ZINC000798225641 683324378 /nfs/dbraw/zinc/32/43/78/683324378.db2.gz FCHDFMXGQIBRAP-UHFFFAOYSA-N 1 2 365.814 2.152 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)NC2CC([NH+]3CCOCC3)C2)cc1Cl ZINC000862107591 683530554 /nfs/dbraw/zinc/53/05/54/683530554.db2.gz LRUIKISJZRGUAR-UHFFFAOYSA-N 1 2 353.806 2.150 20 5 FEBDLO Cn1ncc(I)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000865868281 684038845 /nfs/dbraw/zinc/03/88/45/684038845.db2.gz NLMIVKZVQUYRIR-UHFFFAOYSA-N 1 2 372.166 2.223 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3nccs3)C2)c([N+](=O)[O-])c1 ZINC000880317696 687033153 /nfs/dbraw/zinc/03/31/53/687033153.db2.gz QTZFGBZFDJBSOY-NSHDSACASA-N 1 2 362.411 2.488 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](c3nccs3)C2)c([N+](=O)[O-])c1 ZINC000880317696 687033155 /nfs/dbraw/zinc/03/31/55/687033155.db2.gz QTZFGBZFDJBSOY-NSHDSACASA-N 1 2 362.411 2.488 20 5 FEBDLO O=[N+]([O-])c1cc2c(ncnc2N2CC[NH+](Cc3cncs3)CC2)s1 ZINC000894855106 689609584 /nfs/dbraw/zinc/60/95/84/689609584.db2.gz IGUPPBJUUZYTQE-UHFFFAOYSA-N 1 2 362.440 2.378 20 5 FEBDLO C[C@H](Nc1cccc(Br)c1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000895244920 689683298 /nfs/dbraw/zinc/68/32/98/689683298.db2.gz ATKKDTRDWLNFDV-GXFFZTMASA-N 1 2 357.252 2.404 20 5 FEBDLO C[C@H](Nc1cccc(Br)c1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000895244920 689683301 /nfs/dbraw/zinc/68/33/01/689683301.db2.gz ATKKDTRDWLNFDV-GXFFZTMASA-N 1 2 357.252 2.404 20 5 FEBDLO COc1ccc([C@H]([NH2+]CC[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000905132928 691072226 /nfs/dbraw/zinc/07/22/26/691072226.db2.gz COMHMECQWVKIOD-KRWDZBQOSA-N 1 2 364.423 2.054 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906177158 691239505 /nfs/dbraw/zinc/23/95/05/691239505.db2.gz RGIIYNVTCNQVFA-LBPRGKRZSA-N 1 2 355.822 2.018 20 5 FEBDLO COc1ccccc1C[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000024795046 539741122 /nfs/dbraw/zinc/74/11/22/539741122.db2.gz UNZOIKRFEDFKSA-UHFFFAOYSA-N 1 2 373.365 2.403 20 5 FEBDLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000024795046 539741128 /nfs/dbraw/zinc/74/11/28/539741128.db2.gz UNZOIKRFEDFKSA-UHFFFAOYSA-N 1 2 373.365 2.403 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)cn1 ZINC000026594812 539790545 /nfs/dbraw/zinc/79/05/45/539790545.db2.gz ZIAYXXQNQYGSAY-UHFFFAOYSA-N 1 2 364.409 2.498 20 5 FEBDLO CCc1cccc(NC(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000026482030 539787345 /nfs/dbraw/zinc/78/73/45/539787345.db2.gz OITZREDINQWOBW-UHFFFAOYSA-N 1 2 369.425 2.313 20 5 FEBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000030541362 539885014 /nfs/dbraw/zinc/88/50/14/539885014.db2.gz LIGCNQBLJHSPNM-UHFFFAOYSA-N 1 2 361.423 2.380 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1cnn(C)c1 ZINC000032539686 539942761 /nfs/dbraw/zinc/94/27/61/539942761.db2.gz DROFMOVGKDPJKP-SNVBAGLBSA-N 1 2 351.794 2.441 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1cnn(C)c1 ZINC000032539686 539942762 /nfs/dbraw/zinc/94/27/62/539942762.db2.gz DROFMOVGKDPJKP-SNVBAGLBSA-N 1 2 351.794 2.441 20 5 FEBDLO Cc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[NH+]2CCOCC2)c1 ZINC000042075187 540049594 /nfs/dbraw/zinc/04/95/94/540049594.db2.gz XGFXXZZOXQREPR-QGZVFWFLSA-N 1 2 358.398 2.035 20 5 FEBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000042109964 540051552 /nfs/dbraw/zinc/05/15/52/540051552.db2.gz DEEVAYABCVGCHU-AWEZNQCLSA-N 1 2 371.441 2.180 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047866018 540331047 /nfs/dbraw/zinc/33/10/47/540331047.db2.gz FYSCZKBRIHHGRZ-SNVBAGLBSA-N 1 2 374.344 2.038 20 5 FEBDLO Nc1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000048244200 540353063 /nfs/dbraw/zinc/35/30/63/540353063.db2.gz HEWMJXPMTLMZHA-UHFFFAOYSA-N 1 2 358.373 2.274 20 5 FEBDLO COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])o2)c2[nH+]ccn2C)cc1 ZINC000053477623 540538294 /nfs/dbraw/zinc/53/82/94/540538294.db2.gz KALCHWJZUZSZES-HNNXBMFYSA-N 1 2 356.338 2.449 20 5 FEBDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054174145 540573021 /nfs/dbraw/zinc/57/30/21/540573021.db2.gz BMKOZJAVVBPMIU-CQSZACIVSA-N 1 2 366.487 2.175 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000054534095 540594618 /nfs/dbraw/zinc/59/46/18/540594618.db2.gz ZUJRKCIJWVXOBD-UHFFFAOYSA-N 1 2 372.406 2.318 20 5 FEBDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)cn2c1 ZINC000055295975 540644824 /nfs/dbraw/zinc/64/48/24/540644824.db2.gz FQMWTTUMYOHQGT-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO O=C(NCc1ccco1)[C@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000059402815 540864934 /nfs/dbraw/zinc/86/49/34/540864934.db2.gz NUVMXGGPFNWOLG-MRXNPFEDSA-N 1 2 359.382 2.347 20 5 FEBDLO O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000059402815 540864937 /nfs/dbraw/zinc/86/49/37/540864937.db2.gz NUVMXGGPFNWOLG-MRXNPFEDSA-N 1 2 359.382 2.347 20 5 FEBDLO Cc1noc(C2CC[NH+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)n1 ZINC000067377756 541451755 /nfs/dbraw/zinc/45/17/55/541451755.db2.gz PAXOJJHHVLZZJV-INIZCTEOSA-N 1 2 371.397 2.271 20 5 FEBDLO Cc1cccc2[nH+]c(CNS(=O)(=O)c3cccc([N+](=O)[O-])c3C)cn21 ZINC000068944269 541643726 /nfs/dbraw/zinc/64/37/26/541643726.db2.gz TTYIWLILYXPPQJ-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO CCCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000071014698 541758526 /nfs/dbraw/zinc/75/85/26/541758526.db2.gz SRGHHOJRKFNARU-HNNXBMFYSA-N 1 2 356.444 2.393 20 5 FEBDLO CCCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000071014698 541758527 /nfs/dbraw/zinc/75/85/27/541758527.db2.gz SRGHHOJRKFNARU-HNNXBMFYSA-N 1 2 356.444 2.393 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000078564876 542468163 /nfs/dbraw/zinc/46/81/63/542468163.db2.gz BDKSESPLIOHRAB-IBGZPJMESA-N 1 2 369.421 2.327 20 5 FEBDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000091896993 542831682 /nfs/dbraw/zinc/83/16/82/542831682.db2.gz HHIWDCUDVFDYQC-KEDPEKRHSA-N 1 2 353.444 2.010 20 5 FEBDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000091896993 542831685 /nfs/dbraw/zinc/83/16/85/542831685.db2.gz HHIWDCUDVFDYQC-KEDPEKRHSA-N 1 2 353.444 2.010 20 5 FEBDLO O=C(NCCCCn1cc[nH+]c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000108978032 543309422 /nfs/dbraw/zinc/30/94/22/543309422.db2.gz AOFZVJPKNVWMNZ-UHFFFAOYSA-N 1 2 354.370 2.187 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](N3CCCC3=O)C2)cccc1[N+](=O)[O-] ZINC000111293618 543393627 /nfs/dbraw/zinc/39/36/27/543393627.db2.gz FOGDRIMLGPUSRJ-GJZGRUSLSA-N 1 2 374.441 2.317 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](N3CCCC3=O)C2)cccc1[N+](=O)[O-] ZINC000111293618 543393629 /nfs/dbraw/zinc/39/36/29/543393629.db2.gz FOGDRIMLGPUSRJ-GJZGRUSLSA-N 1 2 374.441 2.317 20 5 FEBDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000119080657 543663284 /nfs/dbraw/zinc/66/32/84/543663284.db2.gz RVKIWDGAVSPMFW-AWEZNQCLSA-N 1 2 370.409 2.424 20 5 FEBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000122817709 543725488 /nfs/dbraw/zinc/72/54/88/543725488.db2.gz UHZRHRMJBQLNAK-UHFFFAOYSA-N 1 2 365.455 2.254 20 5 FEBDLO Cc1cc(C)nc(N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000123263204 543751380 /nfs/dbraw/zinc/75/13/80/543751380.db2.gz XKOKSZROAVQSRH-UHFFFAOYSA-N 1 2 357.414 2.203 20 5 FEBDLO C[C@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000124609772 543832335 /nfs/dbraw/zinc/83/23/35/543832335.db2.gz KATSLAODBIZVAQ-WMLDXEAASA-N 1 2 357.414 2.337 20 5 FEBDLO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000125772401 543900594 /nfs/dbraw/zinc/90/05/94/543900594.db2.gz YPUTXXBVWXKJHO-IAQYHMDHSA-N 1 2 359.342 2.423 20 5 FEBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000126613110 543946913 /nfs/dbraw/zinc/94/69/13/543946913.db2.gz ODHZJSFWQZHICP-LLVKDONJSA-N 1 2 364.229 2.031 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000133842806 544285344 /nfs/dbraw/zinc/28/53/44/544285344.db2.gz QSTKHWILTLPZGQ-QGZVFWFLSA-N 1 2 371.393 2.134 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000133842806 544285347 /nfs/dbraw/zinc/28/53/47/544285347.db2.gz QSTKHWILTLPZGQ-QGZVFWFLSA-N 1 2 371.393 2.134 20 5 FEBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCCc1ccc(F)cc1 ZINC000153051496 544727478 /nfs/dbraw/zinc/72/74/78/544727478.db2.gz OCQGRKXIAPULLH-UHFFFAOYSA-N 1 2 357.385 2.451 20 5 FEBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCCc1ccc(F)cc1 ZINC000153051496 544727482 /nfs/dbraw/zinc/72/74/82/544727482.db2.gz OCQGRKXIAPULLH-UHFFFAOYSA-N 1 2 357.385 2.451 20 5 FEBDLO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000153613398 544798712 /nfs/dbraw/zinc/79/87/12/544798712.db2.gz UVTLPNOTAXSXKA-AWEZNQCLSA-N 1 2 358.851 2.263 20 5 FEBDLO O=C(NCc1ccco1)[C@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154269236 544884517 /nfs/dbraw/zinc/88/45/17/544884517.db2.gz SLSOKACZPCNNHI-SJORKVTESA-N 1 2 359.382 2.002 20 5 FEBDLO O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154269236 544884523 /nfs/dbraw/zinc/88/45/23/544884523.db2.gz SLSOKACZPCNNHI-SJORKVTESA-N 1 2 359.382 2.002 20 5 FEBDLO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000180599737 327692718 /nfs/dbraw/zinc/69/27/18/327692718.db2.gz FQRKLXXKHITWFJ-UHFFFAOYSA-N 1 2 370.409 2.014 20 5 FEBDLO Cc1nc(N2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)cc[nH+]1 ZINC000184948039 327891403 /nfs/dbraw/zinc/89/14/03/327891403.db2.gz KTALOLVGPPHJKW-QPJJXVBHSA-N 1 2 353.382 2.055 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000185401071 327914558 /nfs/dbraw/zinc/91/45/58/327914558.db2.gz DFVKCPVPNDEWQF-UHFFFAOYSA-N 1 2 373.438 2.378 20 5 FEBDLO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000185652332 327926342 /nfs/dbraw/zinc/92/63/42/327926342.db2.gz BVYHRWJODYAAQY-QPJJXVBHSA-N 1 2 368.393 2.167 20 5 FEBDLO COc1ccc(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)c([N+](=O)[O-])c1 ZINC000193719053 328391264 /nfs/dbraw/zinc/39/12/64/328391264.db2.gz AJDPEUBQXXNRCQ-UHFFFAOYSA-N 1 2 373.413 2.188 20 5 FEBDLO O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccccc1C[NH+]1CCOCC1 ZINC000018214046 324390147 /nfs/dbraw/zinc/39/01/47/324390147.db2.gz VCLIRVUHXVEPSM-UHFFFAOYSA-N 1 2 369.421 2.286 20 5 FEBDLO COc1cccc(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000195366550 328474216 /nfs/dbraw/zinc/47/42/16/328474216.db2.gz CATNJNDZZCFSKI-CQSZACIVSA-N 1 2 365.430 2.080 20 5 FEBDLO O=C(NCCCNc1cccc[nH+]1)NCCNc1ccccc1[N+](=O)[O-] ZINC000043892773 324552995 /nfs/dbraw/zinc/55/29/95/324552995.db2.gz SXIJNCXWXSJTFX-UHFFFAOYSA-N 1 2 358.402 2.203 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000076375802 324939373 /nfs/dbraw/zinc/93/93/73/324939373.db2.gz YDILFLJVAALMQR-UHFFFAOYSA-N 1 2 359.386 2.011 20 5 FEBDLO O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078122703 325032502 /nfs/dbraw/zinc/03/25/02/325032502.db2.gz XUXBOWVFGBCKQM-IBGZPJMESA-N 1 2 367.405 2.385 20 5 FEBDLO O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078122703 325032506 /nfs/dbraw/zinc/03/25/06/325032506.db2.gz XUXBOWVFGBCKQM-IBGZPJMESA-N 1 2 367.405 2.385 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000080279936 325126913 /nfs/dbraw/zinc/12/69/13/325126913.db2.gz LYOIQBJFQUAXPM-UHFFFAOYSA-N 1 2 364.427 2.443 20 5 FEBDLO Cc1cc(S(=O)(=O)N(C)c2ccc[nH+]c2N(C)C)ccc1[N+](=O)[O-] ZINC000080279798 325127069 /nfs/dbraw/zinc/12/70/69/325127069.db2.gz YVAXAYUITQZYIZ-UHFFFAOYSA-N 1 2 350.400 2.189 20 5 FEBDLO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000089461107 325317287 /nfs/dbraw/zinc/31/72/87/325317287.db2.gz WSNRWWSUJKHEPE-UHFFFAOYSA-N 1 2 356.382 2.342 20 5 FEBDLO CCOC(=O)CC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000089880538 325338489 /nfs/dbraw/zinc/33/84/89/325338489.db2.gz ZMINUYWEOLGSNH-LBPRGKRZSA-N 1 2 360.370 2.242 20 5 FEBDLO O=C1CCCN1C1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000104727352 325543497 /nfs/dbraw/zinc/54/34/97/325543497.db2.gz YZCOUSDEWNEQHZ-UHFFFAOYSA-N 1 2 371.397 2.232 20 5 FEBDLO Cn1cc[nH+]c1CN1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000108952283 325654516 /nfs/dbraw/zinc/65/45/16/325654516.db2.gz BCSFNDQXCIGOHA-UHFFFAOYSA-N 1 2 352.398 2.199 20 5 FEBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCCn1cc[nH+]c1 ZINC000116713906 326030347 /nfs/dbraw/zinc/03/03/47/326030347.db2.gz ZZQRFVVRJBQWTK-UHFFFAOYSA-N 1 2 352.778 2.420 20 5 FEBDLO Cc1nn(CCC(=O)NCc2ccccc2-n2cc[nH+]c2)c(C)c1[N+](=O)[O-] ZINC000116762660 326032761 /nfs/dbraw/zinc/03/27/61/326032761.db2.gz VAVDFZLGCPRKBJ-UHFFFAOYSA-N 1 2 368.397 2.300 20 5 FEBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000120305279 326248005 /nfs/dbraw/zinc/24/80/05/326248005.db2.gz HYXBHOVHZPBZFP-CQSZACIVSA-N 1 2 358.398 2.188 20 5 FEBDLO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120670973 326277742 /nfs/dbraw/zinc/27/77/42/326277742.db2.gz MKLFVZMYXXJZEF-OAHLLOKOSA-N 1 2 356.382 2.472 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000121325770 326329758 /nfs/dbraw/zinc/32/97/58/326329758.db2.gz VIWXKVYMXLMMLC-JTQLQIEISA-N 1 2 370.818 2.046 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c(F)c1 ZINC000121428119 326337845 /nfs/dbraw/zinc/33/78/45/326337845.db2.gz BKJMCCXXZGGTTE-LBPRGKRZSA-N 1 2 354.363 2.373 20 5 FEBDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000121643638 326354636 /nfs/dbraw/zinc/35/46/36/326354636.db2.gz SJELBHLZNIVYSW-UHFFFAOYSA-N 1 2 365.411 2.448 20 5 FEBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccs1 ZINC000123664926 326440035 /nfs/dbraw/zinc/44/00/35/326440035.db2.gz OWCDVYLHLVDZTF-GFCCVEGCSA-N 1 2 373.431 2.377 20 5 FEBDLO Cc1cc(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c(N)c([N+](=O)[O-])c1 ZINC000131219432 326570390 /nfs/dbraw/zinc/57/03/90/326570390.db2.gz ULVOPRNCKDOATJ-CYBMUJFWSA-N 1 2 355.398 2.279 20 5 FEBDLO C[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)Cn1cc[nH+]c1 ZINC000153431594 326732771 /nfs/dbraw/zinc/73/27/71/326732771.db2.gz ZHLCOIGQGMVBMR-CYBMUJFWSA-N 1 2 354.370 2.043 20 5 FEBDLO Cc1nc(C2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000156924496 326848663 /nfs/dbraw/zinc/84/86/63/326848663.db2.gz RFHHDHWLFUYKME-LLVKDONJSA-N 1 2 359.386 2.493 20 5 FEBDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000161711268 327007261 /nfs/dbraw/zinc/00/72/61/327007261.db2.gz MYGHHJTYGVWJLD-UHFFFAOYSA-N 1 2 372.425 2.395 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCS[C@H]2COCC[C@H]21 ZINC000162493360 327027121 /nfs/dbraw/zinc/02/71/21/327027121.db2.gz SQSWVQBGHJMPCG-ZBFHGGJFSA-N 1 2 374.422 2.127 20 5 FEBDLO CC1(C)C[N@H+](CCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCO1 ZINC000170629374 327089608 /nfs/dbraw/zinc/08/96/08/327089608.db2.gz GQRGAKCXPQBYQO-UHFFFAOYSA-N 1 2 362.430 2.010 20 5 FEBDLO CC1(C)C[N@@H+](CCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCO1 ZINC000170629374 327089609 /nfs/dbraw/zinc/08/96/09/327089609.db2.gz GQRGAKCXPQBYQO-UHFFFAOYSA-N 1 2 362.430 2.010 20 5 FEBDLO CC(C)NC(=O)c1ccc(NCC[N@@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000170640463 327090074 /nfs/dbraw/zinc/09/00/74/327090074.db2.gz MQJBTWKTRUBVMU-UHFFFAOYSA-N 1 2 364.446 2.256 20 5 FEBDLO CC(C)NC(=O)c1ccc(NCC[N@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000170640463 327090075 /nfs/dbraw/zinc/09/00/75/327090075.db2.gz MQJBTWKTRUBVMU-UHFFFAOYSA-N 1 2 364.446 2.256 20 5 FEBDLO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000171064527 327115271 /nfs/dbraw/zinc/11/52/71/327115271.db2.gz GOWLMPMDTXKSOX-UHFFFAOYSA-N 1 2 366.381 2.454 20 5 FEBDLO CCc1n[nH]c(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)c1[N+](=O)[O-] ZINC000171369555 327135368 /nfs/dbraw/zinc/13/53/68/327135368.db2.gz NUPROCWJNBPUNX-CYBMUJFWSA-N 1 2 372.360 2.272 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000172019525 327176689 /nfs/dbraw/zinc/17/66/89/327176689.db2.gz JEBABKNQHTYPRW-UHFFFAOYSA-N 1 2 350.400 2.126 20 5 FEBDLO C[C@H](CS(C)(=O)=O)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000172122073 327182006 /nfs/dbraw/zinc/18/20/06/327182006.db2.gz JNOZBTCASSWYEG-SNVBAGLBSA-N 1 2 355.441 2.241 20 5 FEBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000172611226 327211375 /nfs/dbraw/zinc/21/13/75/327211375.db2.gz HBZKEUAHLFUWEW-NEPJUHHUSA-N 1 2 354.370 2.315 20 5 FEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000172965029 327227507 /nfs/dbraw/zinc/22/75/07/327227507.db2.gz IXMLIOMDIWHTAC-UHFFFAOYSA-N 1 2 369.421 2.286 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000173979593 327299436 /nfs/dbraw/zinc/29/94/36/327299436.db2.gz OMENYBBMHGVPBB-GFCCVEGCSA-N 1 2 354.370 2.430 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(C[NH+](C)C)ccn2)c1C ZINC000176420320 327455129 /nfs/dbraw/zinc/45/51/29/327455129.db2.gz VORADCMUVSZWPK-UHFFFAOYSA-N 1 2 364.427 2.469 20 5 FEBDLO O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177665311 327536620 /nfs/dbraw/zinc/53/66/20/327536620.db2.gz YAZLRINLJWILNG-CKEIUWERSA-N 1 2 356.382 2.468 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000178716896 327602012 /nfs/dbraw/zinc/60/20/12/327602012.db2.gz OMGJIALGBQURQJ-AWEZNQCLSA-N 1 2 371.397 2.077 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2cn3c([nH+]2)CCCC3)c1C ZINC000263821625 328965713 /nfs/dbraw/zinc/96/57/13/328965713.db2.gz YBXAROIWVYXZMV-UHFFFAOYSA-N 1 2 364.427 2.223 20 5 FEBDLO COc1ccc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000263939148 328977036 /nfs/dbraw/zinc/97/70/36/328977036.db2.gz GBNMXMRUMZRYBW-ZDUSSCGKSA-N 1 2 359.386 2.416 20 5 FEBDLO Cc1nc(C(C)(C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)no1 ZINC000264153121 328995497 /nfs/dbraw/zinc/99/54/97/328995497.db2.gz HDIMZZDMLNMHFB-UHFFFAOYSA-N 1 2 356.342 2.137 20 5 FEBDLO Cc1[nH]nc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000264261987 329005647 /nfs/dbraw/zinc/00/56/47/329005647.db2.gz PUCFAYAQISOGHF-TXEJJXNPSA-N 1 2 373.413 2.488 20 5 FEBDLO Cc1[nH]nc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000264261987 329005648 /nfs/dbraw/zinc/00/56/48/329005648.db2.gz PUCFAYAQISOGHF-TXEJJXNPSA-N 1 2 373.413 2.488 20 5 FEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H](OCCO)C1 ZINC000265216653 329103175 /nfs/dbraw/zinc/10/31/75/329103175.db2.gz NHVNDXNWMSNULV-YPMHNXCESA-N 1 2 371.821 2.049 20 5 FEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H](OCCO)C1 ZINC000265216653 329103177 /nfs/dbraw/zinc/10/31/77/329103177.db2.gz NHVNDXNWMSNULV-YPMHNXCESA-N 1 2 371.821 2.049 20 5 FEBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000265307932 329112643 /nfs/dbraw/zinc/11/26/43/329112643.db2.gz QGBZDOKIFYWUGX-LBPRGKRZSA-N 1 2 373.388 2.230 20 5 FEBDLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000265470753 329130466 /nfs/dbraw/zinc/13/04/66/329130466.db2.gz PLSCCDFUPUKNGW-LLVKDONJSA-N 1 2 361.851 2.009 20 5 FEBDLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000265470753 329130467 /nfs/dbraw/zinc/13/04/67/329130467.db2.gz PLSCCDFUPUKNGW-LLVKDONJSA-N 1 2 361.851 2.009 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000265606777 329142486 /nfs/dbraw/zinc/14/24/86/329142486.db2.gz KJJUSVLADZMPIJ-VXMWWYGOSA-N 1 2 353.444 2.073 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000265606777 329142487 /nfs/dbraw/zinc/14/24/87/329142487.db2.gz KJJUSVLADZMPIJ-VXMWWYGOSA-N 1 2 353.444 2.073 20 5 FEBDLO COc1cc(C(=O)NCc2ccc(N(C)C)[nH+]c2)cc([N+](=O)[O-])c1OC ZINC000265897602 329170534 /nfs/dbraw/zinc/17/05/34/329170534.db2.gz CBDUGGRCJBQBSW-UHFFFAOYSA-N 1 2 360.370 2.003 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000266020401 329182295 /nfs/dbraw/zinc/18/22/95/329182295.db2.gz RDSYLHAKSRICRT-UHFFFAOYSA-N 1 2 356.382 2.065 20 5 FEBDLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000266931779 329273961 /nfs/dbraw/zinc/27/39/61/329273961.db2.gz SWQPRFTZBFERML-NSHDSACASA-N 1 2 361.851 2.009 20 5 FEBDLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000266931779 329273962 /nfs/dbraw/zinc/27/39/62/329273962.db2.gz SWQPRFTZBFERML-NSHDSACASA-N 1 2 361.851 2.009 20 5 FEBDLO CCOC(=O)C1(O)CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000266956500 329276528 /nfs/dbraw/zinc/27/65/28/329276528.db2.gz VTODZVLCDBOHHY-UHFFFAOYSA-N 1 2 366.414 2.272 20 5 FEBDLO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)n1 ZINC000267034383 329285335 /nfs/dbraw/zinc/28/53/35/329285335.db2.gz BXHVERHZOMXARE-LBPRGKRZSA-N 1 2 352.395 2.040 20 5 FEBDLO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)n1 ZINC000267034383 329285336 /nfs/dbraw/zinc/28/53/36/329285336.db2.gz BXHVERHZOMXARE-LBPRGKRZSA-N 1 2 352.395 2.040 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000267581287 329340089 /nfs/dbraw/zinc/34/00/89/329340089.db2.gz QUZTYWMNGGXSIG-UHFFFAOYSA-N 1 2 350.400 2.195 20 5 FEBDLO O=C(NC[C@H]1CSCCS1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000267779975 329357308 /nfs/dbraw/zinc/35/73/08/329357308.db2.gz NBRLBYHWGXFKIY-LBPRGKRZSA-N 1 2 364.452 2.359 20 5 FEBDLO COC(=O)c1cc(N2CC[NH+](Cc3cccnc3)CC2)cc(C)c1[N+](=O)[O-] ZINC000267954189 329371482 /nfs/dbraw/zinc/37/14/82/329371482.db2.gz KMLUWMZPLXJSPG-UHFFFAOYSA-N 1 2 370.409 2.407 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000269309680 329506451 /nfs/dbraw/zinc/50/64/51/329506451.db2.gz VGCKZOPEVNKUHZ-SNVBAGLBSA-N 1 2 358.807 2.120 20 5 FEBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272504276 329786545 /nfs/dbraw/zinc/78/65/45/329786545.db2.gz FBWJAPKGRBHMHM-UHFFFAOYSA-N 1 2 357.366 2.385 20 5 FEBDLO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000272549983 329790783 /nfs/dbraw/zinc/79/07/83/329790783.db2.gz ORHWUHFKUUEKKJ-UHFFFAOYSA-N 1 2 373.394 2.151 20 5 FEBDLO CCOC(=O)N1CC[C@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000274517326 329956776 /nfs/dbraw/zinc/95/67/76/329956776.db2.gz XGZKSMWZKQZJGC-GOEBONIOSA-N 1 2 373.413 2.238 20 5 FEBDLO COc1cc(C[NH2+][C@H](C)c2nncn2C)c([N+](=O)[O-])cc1OC(F)F ZINC000275151236 330015747 /nfs/dbraw/zinc/01/57/47/330015747.db2.gz GSROKQOUONLCIY-MRVPVSSYSA-N 1 2 357.317 2.184 20 5 FEBDLO C[C@H](CO)N(CC1CCC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000275230676 330024559 /nfs/dbraw/zinc/02/45/59/330024559.db2.gz MPLUFZDJJXCADH-CYBMUJFWSA-N 1 2 358.398 2.404 20 5 FEBDLO COCc1noc(CN2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000275610455 330069725 /nfs/dbraw/zinc/06/97/25/330069725.db2.gz SLECEORCHXDQFT-ZDUSSCGKSA-N 1 2 361.402 2.003 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](OCC)C2)c([N+](=O)[O-])c1 ZINC000156116166 545600033 /nfs/dbraw/zinc/60/00/33/545600033.db2.gz DVMSJSISXOVXIW-AWEZNQCLSA-N 1 2 351.403 2.433 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](OCC)C2)c([N+](=O)[O-])c1 ZINC000156116166 545600036 /nfs/dbraw/zinc/60/00/36/545600036.db2.gz DVMSJSISXOVXIW-AWEZNQCLSA-N 1 2 351.403 2.433 20 5 FEBDLO Cc1cc[nH+]cc1N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000478250744 561163080 /nfs/dbraw/zinc/16/30/80/561163080.db2.gz NFIYONJXGXGTGK-UHFFFAOYSA-N 1 2 352.398 2.497 20 5 FEBDLO C[NH+](C)CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000159293695 545940691 /nfs/dbraw/zinc/94/06/91/545940691.db2.gz YAMPTZDMSDMBTC-UHFFFAOYSA-N 1 2 359.382 2.171 20 5 FEBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000159350756 545945367 /nfs/dbraw/zinc/94/53/67/545945367.db2.gz KVIJCEBAZGRBDA-DOTOQJQBSA-N 1 2 362.382 2.391 20 5 FEBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000159350756 545945371 /nfs/dbraw/zinc/94/53/71/545945371.db2.gz KVIJCEBAZGRBDA-DOTOQJQBSA-N 1 2 362.382 2.391 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000178716878 546838355 /nfs/dbraw/zinc/83/83/55/546838355.db2.gz OMGJIALGBQURQJ-CQSZACIVSA-N 1 2 371.397 2.077 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(c4ccnn4CCO)CC3)nc2c1 ZINC000482691962 561258614 /nfs/dbraw/zinc/25/86/14/561258614.db2.gz IHFNOKHGRBNTST-UHFFFAOYSA-N 1 2 370.413 2.040 20 5 FEBDLO CCOc1cc(N2CC[NH+]([C@H](C(=O)OC)C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000482877875 561261986 /nfs/dbraw/zinc/26/19/86/561261986.db2.gz XSHDTTXIIMNKOO-KRWDZBQOSA-N 1 2 363.414 2.067 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000181542580 547331465 /nfs/dbraw/zinc/33/14/65/547331465.db2.gz PKDQUVIUTWQKSF-LPHOPBHVSA-N 1 2 358.394 2.408 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000181542580 547331469 /nfs/dbraw/zinc/33/14/69/547331469.db2.gz PKDQUVIUTWQKSF-LPHOPBHVSA-N 1 2 358.394 2.408 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cc1 ZINC000182298209 547468899 /nfs/dbraw/zinc/46/88/99/547468899.db2.gz SFPKQAXABZBODZ-KRWDZBQOSA-N 1 2 367.471 2.421 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cc1 ZINC000182298209 547468903 /nfs/dbraw/zinc/46/89/03/547468903.db2.gz SFPKQAXABZBODZ-KRWDZBQOSA-N 1 2 367.471 2.421 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000182596560 547519228 /nfs/dbraw/zinc/51/92/28/547519228.db2.gz QOLLWFBHCZCKRV-INIZCTEOSA-N 1 2 360.458 2.204 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000182596560 547519231 /nfs/dbraw/zinc/51/92/31/547519231.db2.gz QOLLWFBHCZCKRV-INIZCTEOSA-N 1 2 360.458 2.204 20 5 FEBDLO CCCC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OC ZINC000184268356 547797227 /nfs/dbraw/zinc/79/72/27/547797227.db2.gz ANHZQFQBQCBUCU-CYBMUJFWSA-N 1 2 360.370 2.242 20 5 FEBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000184320312 547807202 /nfs/dbraw/zinc/80/72/02/547807202.db2.gz ALYRXWJVVBNZQQ-UHFFFAOYSA-N 1 2 355.329 2.432 20 5 FEBDLO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000185136008 547938956 /nfs/dbraw/zinc/93/89/56/547938956.db2.gz LBKVEHBQUWUYLU-YPMHNXCESA-N 1 2 364.402 2.366 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000486636568 561353011 /nfs/dbraw/zinc/35/30/11/561353011.db2.gz DGLZMNLEGOLBOL-CQSZACIVSA-N 1 2 355.460 2.172 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000486636568 561353012 /nfs/dbraw/zinc/35/30/12/561353012.db2.gz DGLZMNLEGOLBOL-CQSZACIVSA-N 1 2 355.460 2.172 20 5 FEBDLO COC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245468451 548929410 /nfs/dbraw/zinc/92/94/10/548929410.db2.gz ZZMSLYUROWWENV-PBHICJAKSA-N 1 2 356.382 2.390 20 5 FEBDLO COC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245468451 548929415 /nfs/dbraw/zinc/92/94/15/548929415.db2.gz ZZMSLYUROWWENV-PBHICJAKSA-N 1 2 356.382 2.390 20 5 FEBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[C@H]2C1 ZINC000246049666 549041878 /nfs/dbraw/zinc/04/18/78/549041878.db2.gz AVESDGXSUCAGFO-PMPSAXMXSA-N 1 2 374.397 2.413 20 5 FEBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[C@H]2C1 ZINC000246049666 549041879 /nfs/dbraw/zinc/04/18/79/549041879.db2.gz AVESDGXSUCAGFO-PMPSAXMXSA-N 1 2 374.397 2.413 20 5 FEBDLO COC(=O)COc1ccc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000488366606 561388815 /nfs/dbraw/zinc/38/88/15/561388815.db2.gz MEKOAFNSIYBQHN-LBPRGKRZSA-N 1 2 352.387 2.146 20 5 FEBDLO COC(=O)COc1ccc(C[N@H+]2CC(C)(C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000488366606 561388816 /nfs/dbraw/zinc/38/88/16/561388816.db2.gz MEKOAFNSIYBQHN-LBPRGKRZSA-N 1 2 352.387 2.146 20 5 FEBDLO O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246270601 549092771 /nfs/dbraw/zinc/09/27/71/549092771.db2.gz MKFFVSYVDPRYJS-KBPBESRZSA-N 1 2 362.411 2.188 20 5 FEBDLO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246270601 549092773 /nfs/dbraw/zinc/09/27/73/549092773.db2.gz MKFFVSYVDPRYJS-KBPBESRZSA-N 1 2 362.411 2.188 20 5 FEBDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CCO1 ZINC000488753354 561396138 /nfs/dbraw/zinc/39/61/38/561396138.db2.gz QVEQKABAMDHHLY-AWEZNQCLSA-N 1 2 350.419 2.444 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CCO1 ZINC000488753354 561396139 /nfs/dbraw/zinc/39/61/39/561396139.db2.gz QVEQKABAMDHHLY-AWEZNQCLSA-N 1 2 350.419 2.444 20 5 FEBDLO CCN(CC)C(=O)CN1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255322822 549704872 /nfs/dbraw/zinc/70/48/72/549704872.db2.gz NOSHYHKBYCXZLJ-YFHOEESVSA-N 1 2 374.485 2.484 20 5 FEBDLO CCN(CC)C(=O)CN1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255322822 549704875 /nfs/dbraw/zinc/70/48/75/549704875.db2.gz NOSHYHKBYCXZLJ-YFHOEESVSA-N 1 2 374.485 2.484 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264044057 549972258 /nfs/dbraw/zinc/97/22/58/549972258.db2.gz WJXQFCZVQFSGIR-OAHLLOKOSA-N 1 2 372.425 2.286 20 5 FEBDLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271477327 550378423 /nfs/dbraw/zinc/37/84/23/550378423.db2.gz GQVNDFLIGAAERE-NSHDSACASA-N 1 2 358.354 2.350 20 5 FEBDLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271477327 550378425 /nfs/dbraw/zinc/37/84/25/550378425.db2.gz GQVNDFLIGAAERE-NSHDSACASA-N 1 2 358.354 2.350 20 5 FEBDLO O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272953171 550477951 /nfs/dbraw/zinc/47/79/51/550477951.db2.gz GOCNCEXXJCYFCN-MLGOLLRUSA-N 1 2 369.381 2.217 20 5 FEBDLO O=[N+]([O-])c1cc2ccccc2nc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000276635169 550580084 /nfs/dbraw/zinc/58/00/84/550580084.db2.gz ORHYQYXCNVODJB-UHFFFAOYSA-N 1 2 368.397 2.415 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c(Cl)c1 ZINC000278971364 550841846 /nfs/dbraw/zinc/84/18/46/550841846.db2.gz XUVMZOKSTZCTBI-AWEZNQCLSA-N 1 2 373.862 2.248 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c(Cl)c1 ZINC000278971364 550841847 /nfs/dbraw/zinc/84/18/47/550841847.db2.gz XUVMZOKSTZCTBI-AWEZNQCLSA-N 1 2 373.862 2.248 20 5 FEBDLO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)CCn1cc([N+](=O)[O-])cn1)CCCC2 ZINC000279238864 550868459 /nfs/dbraw/zinc/86/84/59/550868459.db2.gz RIVMDDMZCGKXJL-MRXNPFEDSA-N 1 2 372.429 2.157 20 5 FEBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000279391715 550884881 /nfs/dbraw/zinc/88/48/81/550884881.db2.gz IUTKFLQRHWVBIN-GFCCVEGCSA-N 1 2 373.388 2.230 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000279744426 550923840 /nfs/dbraw/zinc/92/38/40/550923840.db2.gz KUWUNSURPMUCEB-ZUMXRPEOSA-N 1 2 363.414 2.190 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000279744426 550923843 /nfs/dbraw/zinc/92/38/43/550923843.db2.gz KUWUNSURPMUCEB-ZUMXRPEOSA-N 1 2 363.414 2.190 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280229362 550973228 /nfs/dbraw/zinc/97/32/28/550973228.db2.gz AIMFKLOCOGZFBG-SFHVURJKSA-N 1 2 363.414 2.112 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280229362 550973229 /nfs/dbraw/zinc/97/32/29/550973229.db2.gz AIMFKLOCOGZFBG-SFHVURJKSA-N 1 2 363.414 2.112 20 5 FEBDLO Cc1nc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000280809680 551034751 /nfs/dbraw/zinc/03/47/51/551034751.db2.gz SXXKRSDLYCDEKN-MSOLQXFVSA-N 1 2 354.410 2.388 20 5 FEBDLO Cc1nc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000280809680 551034752 /nfs/dbraw/zinc/03/47/52/551034752.db2.gz SXXKRSDLYCDEKN-MSOLQXFVSA-N 1 2 354.410 2.388 20 5 FEBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@@H]21 ZINC000283834135 551435052 /nfs/dbraw/zinc/43/50/52/551435052.db2.gz ASTWHSCQPCEMQF-KBPBESRZSA-N 1 2 373.331 2.159 20 5 FEBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@@H]21 ZINC000283834135 551435054 /nfs/dbraw/zinc/43/50/54/551435054.db2.gz ASTWHSCQPCEMQF-KBPBESRZSA-N 1 2 373.331 2.159 20 5 FEBDLO O=C(C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000285688332 551795324 /nfs/dbraw/zinc/79/53/24/551795324.db2.gz VHUAUUPPHJLLJR-CQSZACIVSA-N 1 2 361.320 2.313 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000285688332 551795327 /nfs/dbraw/zinc/79/53/27/551795327.db2.gz VHUAUUPPHJLLJR-CQSZACIVSA-N 1 2 361.320 2.313 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000285882558 551822972 /nfs/dbraw/zinc/82/29/72/551822972.db2.gz QVDWQMNFOAMTLY-SWLSCSKDSA-N 1 2 359.382 2.276 20 5 FEBDLO C[C@H]1CCSCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000286270855 551868081 /nfs/dbraw/zinc/86/80/81/551868081.db2.gz UBSDYHMIWWUPLP-JTQLQIEISA-N 1 2 353.400 2.089 20 5 FEBDLO C[C@H]1CCSCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000286270855 551868082 /nfs/dbraw/zinc/86/80/82/551868082.db2.gz UBSDYHMIWWUPLP-JTQLQIEISA-N 1 2 353.400 2.089 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000286621887 551907188 /nfs/dbraw/zinc/90/71/88/551907188.db2.gz CJBXRCKEDMWGRG-JSGCOSHPSA-N 1 2 358.398 2.011 20 5 FEBDLO C[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000286835083 551931410 /nfs/dbraw/zinc/93/14/10/551931410.db2.gz JYCUOHNTLLGGHR-KEYYUXOJSA-N 1 2 362.430 2.160 20 5 FEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000287172263 551972669 /nfs/dbraw/zinc/97/26/69/551972669.db2.gz HAMPPHUGGOQLGA-OLZOCXBDSA-N 1 2 365.455 2.252 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000287611237 552025256 /nfs/dbraw/zinc/02/52/56/552025256.db2.gz YTXMOFCUSIUQMG-IUODEOHRSA-N 1 2 369.368 2.008 20 5 FEBDLO CC[NH+]1CCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000288808298 552216277 /nfs/dbraw/zinc/21/62/77/552216277.db2.gz AIHSKQMYCNMAGE-UHFFFAOYSA-N 1 2 368.242 2.228 20 5 FEBDLO O=[N+]([O-])c1cc(Br)ccc1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000500398686 561571601 /nfs/dbraw/zinc/57/16/01/561571601.db2.gz ZYRIRRHUOHQCPK-UHFFFAOYSA-N 1 2 366.219 2.403 20 5 FEBDLO NC(=O)c1ccnc(NCc2ccc(N3CCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000290593472 552503798 /nfs/dbraw/zinc/50/37/98/552503798.db2.gz XXGOGVNALZRYAV-UHFFFAOYSA-N 1 2 356.386 2.086 20 5 FEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000291479789 552628938 /nfs/dbraw/zinc/62/89/38/552628938.db2.gz PZKUEXJPSMJMDZ-CZUORRHYSA-N 1 2 365.455 2.009 20 5 FEBDLO O=C(C[N@H+]1CC[C@](CO)(c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000291680056 552650637 /nfs/dbraw/zinc/65/06/37/552650637.db2.gz GVESYSRBONLLCK-IBGZPJMESA-N 1 2 355.394 2.169 20 5 FEBDLO O=C(C[N@@H+]1CC[C@](CO)(c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000291680056 552650638 /nfs/dbraw/zinc/65/06/38/552650638.db2.gz GVESYSRBONLLCK-IBGZPJMESA-N 1 2 355.394 2.169 20 5 FEBDLO C[C@H](O)C[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291715776 552654258 /nfs/dbraw/zinc/65/42/58/552654258.db2.gz QJEJSRNBHSACKH-VIFPVBQESA-N 1 2 362.213 2.040 20 5 FEBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000293110133 552789770 /nfs/dbraw/zinc/78/97/70/552789770.db2.gz LPGONUOJVDVHAR-UHFFFAOYSA-N 1 2 355.394 2.045 20 5 FEBDLO Cc1ccc([C@H](O)C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000293114356 552790205 /nfs/dbraw/zinc/79/02/05/552790205.db2.gz LVTIVDAUTFQRRW-LJQANCHMSA-N 1 2 369.421 2.395 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H](O)C12CCCC2 ZINC000293830895 552860555 /nfs/dbraw/zinc/86/05/55/552860555.db2.gz DVKBBNDBEUJHFY-MRXNPFEDSA-N 1 2 356.382 2.300 20 5 FEBDLO CC(C)(CCC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1)[N+](=O)[O-] ZINC000294580082 552917341 /nfs/dbraw/zinc/91/73/41/552917341.db2.gz XXVYQIDZUSOFIO-CYBMUJFWSA-N 1 2 355.460 2.073 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000295221010 552971089 /nfs/dbraw/zinc/97/10/89/552971089.db2.gz HNSPXRJZLSYGFJ-AWEZNQCLSA-N 1 2 364.427 2.409 20 5 FEBDLO Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(C)n2)[NH+]2CCOCC2)cc1 ZINC000295425117 553005007 /nfs/dbraw/zinc/00/50/07/553005007.db2.gz FFXCOMPFMHZLMA-QGZVFWFLSA-N 1 2 357.414 2.487 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000295959337 553081437 /nfs/dbraw/zinc/08/14/37/553081437.db2.gz BOUMQLXRPQTTSC-AWEZNQCLSA-N 1 2 371.397 2.185 20 5 FEBDLO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296498193 553170336 /nfs/dbraw/zinc/17/03/36/553170336.db2.gz BLKHXUGAAHYLSM-JKIFEVAISA-N 1 2 362.430 2.160 20 5 FEBDLO Cc1cc(F)c(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000296843929 553219154 /nfs/dbraw/zinc/21/91/54/553219154.db2.gz UFGNKDZLFODDJD-NEPJUHHUSA-N 1 2 354.382 2.273 20 5 FEBDLO Cc1nc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000297156243 553257065 /nfs/dbraw/zinc/25/70/65/553257065.db2.gz OQLIHFBTXOMBRL-CQSZACIVSA-N 1 2 363.443 2.264 20 5 FEBDLO Cc1cccc2[nH+]c(CN3CCN(c4ncccc4[N+](=O)[O-])CC3)cn21 ZINC000298201864 553397671 /nfs/dbraw/zinc/39/76/71/553397671.db2.gz YAFDLRJUZCLILW-UHFFFAOYSA-N 1 2 352.398 2.268 20 5 FEBDLO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000299146709 553521781 /nfs/dbraw/zinc/52/17/81/553521781.db2.gz VTXMVRCFWZIBMX-UHFFFAOYSA-N 1 2 364.431 2.263 20 5 FEBDLO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000299409976 553559560 /nfs/dbraw/zinc/55/95/60/553559560.db2.gz VVAIRSCVGLCOQC-MLGOLLRUSA-N 1 2 371.397 2.148 20 5 FEBDLO CCOC(=O)[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000299624936 553590861 /nfs/dbraw/zinc/59/08/61/553590861.db2.gz FLHPEEUBXXNEHU-OAHLLOKOSA-N 1 2 372.381 2.338 20 5 FEBDLO Cc1cc(NC[C@H]2CCCS2(=O)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301711274 553673599 /nfs/dbraw/zinc/67/35/99/553673599.db2.gz KMUKNMJPMPSAGX-CQSZACIVSA-N 1 2 362.411 2.349 20 5 FEBDLO CC(=O)c1ccc(N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000301810626 553681536 /nfs/dbraw/zinc/68/15/36/553681536.db2.gz XFXJWTVCCNHBAY-QGZVFWFLSA-N 1 2 360.458 2.404 20 5 FEBDLO Cc1cccc(N2CC[NH+](CC(=O)NCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000302523145 553720383 /nfs/dbraw/zinc/72/03/83/553720383.db2.gz YOLMCUWJZRYUSW-UHFFFAOYSA-N 1 2 368.437 2.342 20 5 FEBDLO Nc1nc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH+]c2ccccc12 ZINC000302801052 553733759 /nfs/dbraw/zinc/73/37/59/553733759.db2.gz TWYKMDUGGVKONX-LLVKDONJSA-N 1 2 351.370 2.206 20 5 FEBDLO O=C(N[C@H](CO)c1ccsc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000505582748 561674496 /nfs/dbraw/zinc/67/44/96/561674496.db2.gz WERVOGCADIRSTL-CYBMUJFWSA-N 1 2 358.379 2.305 20 5 FEBDLO CCc1cc(NC[C@H](O)C(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000507134494 561719027 /nfs/dbraw/zinc/71/90/27/561719027.db2.gz MTMJRJJVTZKESU-LBPRGKRZSA-N 1 2 356.304 2.371 20 5 FEBDLO Cc1cc(C[NH+]2CCN(c3ncnc4cccc([N+](=O)[O-])c43)CC2)on1 ZINC000509040153 561782443 /nfs/dbraw/zinc/78/24/43/561782443.db2.gz MRXAKZLRFGWQMK-UHFFFAOYSA-N 1 2 354.370 2.157 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000332144092 554389626 /nfs/dbraw/zinc/38/96/26/554389626.db2.gz MGXIZMBQZQRYJZ-OCCSQVGLSA-N 1 2 351.428 2.048 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000332144092 554389628 /nfs/dbraw/zinc/38/96/28/554389628.db2.gz MGXIZMBQZQRYJZ-OCCSQVGLSA-N 1 2 351.428 2.048 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000509795940 561814422 /nfs/dbraw/zinc/81/44/22/561814422.db2.gz AVXFRBXQPGWVNE-UHFFFAOYSA-N 1 2 371.422 2.491 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000332372689 554434297 /nfs/dbraw/zinc/43/42/97/554434297.db2.gz XFNLXVDRJFRPDJ-ZFWWWQNUSA-N 1 2 364.427 2.372 20 5 FEBDLO Cc1cc(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332518023 554460828 /nfs/dbraw/zinc/46/08/28/554460828.db2.gz KUKJUYPQSFJUGI-GJZGRUSLSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1cc(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332518023 554460833 /nfs/dbraw/zinc/46/08/33/554460833.db2.gz KUKJUYPQSFJUGI-GJZGRUSLSA-N 1 2 367.471 2.459 20 5 FEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000510380827 561832849 /nfs/dbraw/zinc/83/28/49/561832849.db2.gz OTINLPDPINLBAV-INIZCTEOSA-N 1 2 371.397 2.252 20 5 FEBDLO Cc1[nH+]cccc1Cc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000350289339 554776569 /nfs/dbraw/zinc/77/65/69/554776569.db2.gz YMDYTLINBRCKLY-UHFFFAOYSA-N 1 2 367.365 2.131 20 5 FEBDLO CCc1nc(C[NH+]2C[C@H]3CN(c4ccc(F)cc4[N+](=O)[O-])C[C@@H]3C2)no1 ZINC000361769042 554933734 /nfs/dbraw/zinc/93/37/34/554933734.db2.gz RKMPXXRBBGSTCM-RYUDHWBXSA-N 1 2 361.377 2.248 20 5 FEBDLO CCc1nc(C[N@H+]2C[C@H]3CN(c4ccc([N+](=O)[O-])c(C)c4)C[C@H]3C2)no1 ZINC000361768758 554933801 /nfs/dbraw/zinc/93/38/01/554933801.db2.gz QQGHCNJNGNJIIH-OKILXGFUSA-N 1 2 357.414 2.417 20 5 FEBDLO CCc1nc(C[N@@H+]2C[C@H]3CN(c4ccc([N+](=O)[O-])c(C)c4)C[C@H]3C2)no1 ZINC000361768758 554933802 /nfs/dbraw/zinc/93/38/02/554933802.db2.gz QQGHCNJNGNJIIH-OKILXGFUSA-N 1 2 357.414 2.417 20 5 FEBDLO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000363198193 555051275 /nfs/dbraw/zinc/05/12/75/555051275.db2.gz BAKXWTSUQXAZPI-CFVMTHIKSA-N 1 2 371.397 2.263 20 5 FEBDLO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000363198193 555051277 /nfs/dbraw/zinc/05/12/77/555051277.db2.gz BAKXWTSUQXAZPI-CFVMTHIKSA-N 1 2 371.397 2.263 20 5 FEBDLO O=C([C@@H]1CCCO1)N1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000363579861 555141081 /nfs/dbraw/zinc/14/10/81/555141081.db2.gz HTWRDLRCKQAUMW-INIZCTEOSA-N 1 2 367.833 2.462 20 5 FEBDLO O=C([C@@H]1CCCO1)N1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000363579861 555141083 /nfs/dbraw/zinc/14/10/83/555141083.db2.gz HTWRDLRCKQAUMW-INIZCTEOSA-N 1 2 367.833 2.462 20 5 FEBDLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000363801172 555189055 /nfs/dbraw/zinc/18/90/55/555189055.db2.gz BCIFAYHKLHZIDI-CABCVRRESA-N 1 2 369.368 2.246 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000364433546 555313270 /nfs/dbraw/zinc/31/32/70/555313270.db2.gz HCZPBKWGVXBEGQ-OAHLLOKOSA-N 1 2 363.414 2.433 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000364433546 555313271 /nfs/dbraw/zinc/31/32/71/555313271.db2.gz HCZPBKWGVXBEGQ-OAHLLOKOSA-N 1 2 363.414 2.433 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000364720108 555384804 /nfs/dbraw/zinc/38/48/04/555384804.db2.gz BTNPQIQXVTYBGO-ZDUSSCGKSA-N 1 2 350.400 2.461 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)C2 ZINC000365192501 555506754 /nfs/dbraw/zinc/50/67/54/555506754.db2.gz XCCHEKQAZZUFSX-CYBMUJFWSA-N 1 2 364.427 2.010 20 5 FEBDLO O=C(c1ccco1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000365805627 555671342 /nfs/dbraw/zinc/67/13/42/555671342.db2.gz MGAVRJXQFHYRRL-UHFFFAOYSA-N 1 2 374.353 2.444 20 5 FEBDLO O=C(c1ccco1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000365805627 555671344 /nfs/dbraw/zinc/67/13/44/555671344.db2.gz MGAVRJXQFHYRRL-UHFFFAOYSA-N 1 2 374.353 2.444 20 5 FEBDLO 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FEBDLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)n1 ZINC000412027457 559003605 /nfs/dbraw/zinc/00/36/05/559003605.db2.gz LVZMVCZBZYOLNB-LBPRGKRZSA-N 1 2 355.358 2.061 20 5 FEBDLO Cc1nc([C@H]2CC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)n[nH]1 ZINC000412027457 559003606 /nfs/dbraw/zinc/00/36/06/559003606.db2.gz LVZMVCZBZYOLNB-LBPRGKRZSA-N 1 2 355.358 2.061 20 5 FEBDLO Cc1nc([C@H]2CC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)n[nH]1 ZINC000412027457 559003607 /nfs/dbraw/zinc/00/36/07/559003607.db2.gz LVZMVCZBZYOLNB-LBPRGKRZSA-N 1 2 355.358 2.061 20 5 FEBDLO O=C(NCCCO[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000412306373 559026385 /nfs/dbraw/zinc/02/63/85/559026385.db2.gz KOGPJJUKTXEWQX-QGZVFWFLSA-N 1 2 374.397 2.444 20 5 FEBDLO O=[N+]([O-])c1cnc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c(F)c1 ZINC000413028343 559070883 /nfs/dbraw/zinc/07/08/83/559070883.db2.gz BKIKYRKODUASQE-UHFFFAOYSA-N 1 2 356.361 2.099 20 5 FEBDLO C[C@@H](O)[C@H]1CCN(c2cc(N(C)Cc3ccccc3[N+](=O)[O-])nc[nH+]2)C1 ZINC000413052346 559073001 /nfs/dbraw/zinc/07/30/01/559073001.db2.gz MCRMXGGFAFRANS-KGLIPLIRSA-N 1 2 357.414 2.228 20 5 FEBDLO C[C@@H](O)[C@H]1CCN(c2cc(N(C)Cc3ccccc3[N+](=O)[O-])[nH+]cn2)C1 ZINC000413052346 559073002 /nfs/dbraw/zinc/07/30/02/559073002.db2.gz MCRMXGGFAFRANS-KGLIPLIRSA-N 1 2 357.414 2.228 20 5 FEBDLO CCOC(=O)C[N@@H+]1CCCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413107173 559078852 /nfs/dbraw/zinc/07/88/52/559078852.db2.gz KIHAKBZYCBIZLC-UHFFFAOYSA-N 1 2 358.398 2.218 20 5 FEBDLO CCOC(=O)C[N@H+]1CCCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413107173 559078853 /nfs/dbraw/zinc/07/88/53/559078853.db2.gz KIHAKBZYCBIZLC-UHFFFAOYSA-N 1 2 358.398 2.218 20 5 FEBDLO COC(=O)c1cnc([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000414121448 559150041 /nfs/dbraw/zinc/15/00/41/559150041.db2.gz ZORCXCZDKNVUPC-VIFPVBQESA-N 1 2 364.383 2.127 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000416926078 559338783 /nfs/dbraw/zinc/33/87/83/559338783.db2.gz UQPFQMPSTBXSGT-UHFFFAOYSA-N 1 2 350.419 2.444 20 5 FEBDLO COc1ccccc1C[NH+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420587777 559493047 /nfs/dbraw/zinc/49/30/47/559493047.db2.gz QWDSTJRUOZOGRT-UHFFFAOYSA-N 1 2 370.409 2.025 20 5 FEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](C1CCOCC1)C1(CO)CCC1 ZINC000425368050 559698467 /nfs/dbraw/zinc/69/84/67/559698467.db2.gz DGXMVJZPUFLREU-QGZVFWFLSA-N 1 2 350.415 2.348 20 5 FEBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000425398844 559700304 /nfs/dbraw/zinc/70/03/04/559700304.db2.gz CPJHUOJUAFTBHW-CYBMUJFWSA-N 1 2 359.220 2.331 20 5 FEBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000425398844 559700305 /nfs/dbraw/zinc/70/03/05/559700305.db2.gz CPJHUOJUAFTBHW-CYBMUJFWSA-N 1 2 359.220 2.331 20 5 FEBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000427990387 559767049 /nfs/dbraw/zinc/76/70/49/559767049.db2.gz CPVQPBQUBKBZFD-VIFPVBQESA-N 1 2 352.297 2.138 20 5 FEBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000427998862 559767169 /nfs/dbraw/zinc/76/71/69/559767169.db2.gz XGWNGRNEZRVCNE-JTQLQIEISA-N 1 2 352.297 2.138 20 5 FEBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000427997031 559767222 /nfs/dbraw/zinc/76/72/22/559767222.db2.gz QILMDZMOFMDJQV-LLVKDONJSA-N 1 2 365.187 2.299 20 5 FEBDLO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000428545812 559777706 /nfs/dbraw/zinc/77/77/06/559777706.db2.gz LCLLGVJIGINBMY-AWEZNQCLSA-N 1 2 357.366 2.119 20 5 FEBDLO O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000428545812 559777707 /nfs/dbraw/zinc/77/77/07/559777707.db2.gz LCLLGVJIGINBMY-AWEZNQCLSA-N 1 2 357.366 2.119 20 5 FEBDLO CCn1nccc1C[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000429711941 559804377 /nfs/dbraw/zinc/80/43/77/559804377.db2.gz AJCYIFZVUGANTJ-GFCCVEGCSA-N 1 2 361.402 2.279 20 5 FEBDLO CCn1nccc1C[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000429711941 559804378 /nfs/dbraw/zinc/80/43/78/559804378.db2.gz AJCYIFZVUGANTJ-GFCCVEGCSA-N 1 2 361.402 2.279 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000430206702 559815419 /nfs/dbraw/zinc/81/54/19/559815419.db2.gz XUBIGPZLYCWCKQ-GOEBONIOSA-N 1 2 356.444 2.391 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000430206702 559815420 /nfs/dbraw/zinc/81/54/20/559815420.db2.gz XUBIGPZLYCWCKQ-GOEBONIOSA-N 1 2 356.444 2.391 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000430206700 559815434 /nfs/dbraw/zinc/81/54/34/559815434.db2.gz XUBIGPZLYCWCKQ-GDBMZVCRSA-N 1 2 356.444 2.391 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000430206700 559815435 /nfs/dbraw/zinc/81/54/35/559815435.db2.gz XUBIGPZLYCWCKQ-GDBMZVCRSA-N 1 2 356.444 2.391 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000430236190 559815800 /nfs/dbraw/zinc/81/58/00/559815800.db2.gz AKDJBTMGCHTONV-INIZCTEOSA-N 1 2 362.430 2.181 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000430236190 559815801 /nfs/dbraw/zinc/81/58/01/559815801.db2.gz AKDJBTMGCHTONV-INIZCTEOSA-N 1 2 362.430 2.181 20 5 FEBDLO O=[N+]([O-])c1cccc(CCNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)c1 ZINC000433750970 559887285 /nfs/dbraw/zinc/88/72/85/559887285.db2.gz KDLPWWWLUQZANV-MRXNPFEDSA-N 1 2 357.414 2.391 20 5 FEBDLO O=[N+]([O-])c1cccc(CCNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)c1 ZINC000433750970 559887286 /nfs/dbraw/zinc/88/72/86/559887286.db2.gz KDLPWWWLUQZANV-MRXNPFEDSA-N 1 2 357.414 2.391 20 5 FEBDLO COc1ccc(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1[N+](=O)[O-] ZINC000435619082 559926425 /nfs/dbraw/zinc/92/64/25/559926425.db2.gz SKLXCDJFXBREPD-UHFFFAOYSA-N 1 2 359.386 2.416 20 5 FEBDLO COc1ccc(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000435619082 559926426 /nfs/dbraw/zinc/92/64/26/559926426.db2.gz SKLXCDJFXBREPD-UHFFFAOYSA-N 1 2 359.386 2.416 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000439933050 560002098 /nfs/dbraw/zinc/00/20/98/560002098.db2.gz PGMGMPYOGZRJMG-CQSZACIVSA-N 1 2 366.418 2.226 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000439933050 560002099 /nfs/dbraw/zinc/00/20/99/560002099.db2.gz PGMGMPYOGZRJMG-CQSZACIVSA-N 1 2 366.418 2.226 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1ccnc2ccnn21 ZINC000447819219 560170079 /nfs/dbraw/zinc/17/00/79/560170079.db2.gz XYHXPEQOKBXJQI-UHFFFAOYSA-N 1 2 368.397 2.082 20 5 FEBDLO COC(=O)COc1ccc(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000448364133 560185657 /nfs/dbraw/zinc/18/56/57/560185657.db2.gz DWPMFBBQXXOJHL-INIZCTEOSA-N 1 2 366.414 2.394 20 5 FEBDLO COC(=O)COc1ccc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000448364133 560185658 /nfs/dbraw/zinc/18/56/58/560185658.db2.gz DWPMFBBQXXOJHL-INIZCTEOSA-N 1 2 366.414 2.394 20 5 FEBDLO Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448677174 560193683 /nfs/dbraw/zinc/19/36/83/560193683.db2.gz XABJUFRMHZDJSU-AWEZNQCLSA-N 1 2 366.381 2.321 20 5 FEBDLO C[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCN1C(=O)c1cnn(C)c1 ZINC000449761964 560239350 /nfs/dbraw/zinc/23/93/50/560239350.db2.gz CQTBOOKRRVVTNV-ZKKXHLJNSA-N 1 2 369.425 2.188 20 5 FEBDLO C[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCN1C(=O)c1cnn(C)c1 ZINC000449761964 560239351 /nfs/dbraw/zinc/23/93/51/560239351.db2.gz CQTBOOKRRVVTNV-ZKKXHLJNSA-N 1 2 369.425 2.188 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](CC3=CCCCC3)CC2)cc1 ZINC000450224168 560254492 /nfs/dbraw/zinc/25/44/92/560254492.db2.gz SOTZHIMFQLGGKJ-UHFFFAOYSA-N 1 2 365.455 2.402 20 5 FEBDLO Cc1ccc[nH+]c1CCNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000450733786 560271720 /nfs/dbraw/zinc/27/17/20/560271720.db2.gz SEARGFLCHHSQCQ-UHFFFAOYSA-N 1 2 370.409 2.425 20 5 FEBDLO O=C(CCC(=O)N1CC[NH2+][C@H](c2cccnc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000451666843 560320903 /nfs/dbraw/zinc/32/09/03/560320903.db2.gz SGWYKSDNSQFMPY-KRWDZBQOSA-N 1 2 368.393 2.126 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000451689703 560322106 /nfs/dbraw/zinc/32/21/06/560322106.db2.gz MMZJEAMETPLGHO-CQSZACIVSA-N 1 2 364.427 2.241 20 5 FEBDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000451935760 560339097 /nfs/dbraw/zinc/33/90/97/560339097.db2.gz SFEKSPVAQVFOIH-AWEZNQCLSA-N 1 2 355.460 2.316 20 5 FEBDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000451935760 560339098 /nfs/dbraw/zinc/33/90/98/560339098.db2.gz SFEKSPVAQVFOIH-AWEZNQCLSA-N 1 2 355.460 2.316 20 5 FEBDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000451936568 560339230 /nfs/dbraw/zinc/33/92/30/560339230.db2.gz YGUPIBYSRFIYEO-LBPRGKRZSA-N 1 2 352.416 2.468 20 5 FEBDLO Cc1cc(C)c(CNC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)c[nH+]1 ZINC000455572889 560487610 /nfs/dbraw/zinc/48/76/10/560487610.db2.gz PCGLECMEVMZXLC-UHFFFAOYSA-N 1 2 370.413 2.033 20 5 FEBDLO CCOC(=O)c1cc(C(=O)N[C@@H](C)c2[nH+]ccn2CC)cc([N+](=O)[O-])c1 ZINC000456385846 560518681 /nfs/dbraw/zinc/51/86/81/560518681.db2.gz MRQSNHWMECCRJS-NSHDSACASA-N 1 2 360.370 2.479 20 5 FEBDLO Cc1c(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000456404135 560519435 /nfs/dbraw/zinc/51/94/35/560519435.db2.gz WYWCPCAKZHWFDR-QMTHXVAHSA-N 1 2 367.369 2.116 20 5 FEBDLO CCc1[nH]nc(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3[C@H](C)CO)c1[N+](=O)[O-] ZINC000456707846 560530010 /nfs/dbraw/zinc/53/00/10/560530010.db2.gz JXLYTRDAQBIJIA-SECBINFHSA-N 1 2 372.385 2.344 20 5 FEBDLO Cc1cc(NC[C@@H](O)C[NH+]2CCOCC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461727168 560780467 /nfs/dbraw/zinc/78/04/67/560780467.db2.gz IQOCLZHYOIRWQZ-LLVKDONJSA-N 1 2 363.336 2.027 20 5 FEBDLO CN(CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1[N+](=O)[O-] ZINC000463451120 560815438 /nfs/dbraw/zinc/81/54/38/560815438.db2.gz VJHRNTWBHGFSNH-UHFFFAOYSA-N 1 2 374.466 2.437 20 5 FEBDLO CC/C=C\CC[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000466832511 560896905 /nfs/dbraw/zinc/89/69/05/560896905.db2.gz RWULBZCYMWFLBD-ARJAWSKDSA-N 1 2 353.444 2.257 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000468853080 560940610 /nfs/dbraw/zinc/94/06/10/560940610.db2.gz FOVWVPLTWNLSNR-AWEZNQCLSA-N 1 2 363.395 2.140 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000469846217 560966525 /nfs/dbraw/zinc/96/65/25/560966525.db2.gz JGOVUIJCQRQMJP-HOSYDEDBSA-N 1 2 369.805 2.459 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000469846217 560966526 /nfs/dbraw/zinc/96/65/26/560966526.db2.gz JGOVUIJCQRQMJP-HOSYDEDBSA-N 1 2 369.805 2.459 20 5 FEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000470170123 560975932 /nfs/dbraw/zinc/97/59/32/560975932.db2.gz OXHHDSWQNCPJHY-LGMDPLHJSA-N 1 2 372.469 2.238 20 5 FEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000470170123 560975933 /nfs/dbraw/zinc/97/59/33/560975933.db2.gz OXHHDSWQNCPJHY-LGMDPLHJSA-N 1 2 372.469 2.238 20 5 FEBDLO COC(=O)[C@H](CC(C)C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000475086899 561089935 /nfs/dbraw/zinc/08/99/35/561089935.db2.gz JBZSBUYGBGEUJL-DOMZBBRYSA-N 1 2 351.403 2.489 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)N(Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000475871894 561106998 /nfs/dbraw/zinc/10/69/98/561106998.db2.gz ZGCQYVMLPMYFEH-MRXNPFEDSA-N 1 2 373.457 2.051 20 5 FEBDLO C[C@H](CN1CCOCC1)[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000475871894 561106999 /nfs/dbraw/zinc/10/69/99/561106999.db2.gz ZGCQYVMLPMYFEH-MRXNPFEDSA-N 1 2 373.457 2.051 20 5 FEBDLO C[C@H](CN1CCOCC1)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000475871894 561107000 /nfs/dbraw/zinc/10/70/00/561107000.db2.gz ZGCQYVMLPMYFEH-MRXNPFEDSA-N 1 2 373.457 2.051 20 5 FEBDLO Cc1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)nc(C(C)C)[nH+]1 ZINC000532143351 562468591 /nfs/dbraw/zinc/46/85/91/562468591.db2.gz KTZCRSAQFMAAMK-UHFFFAOYSA-N 1 2 370.413 2.174 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000532576055 562482094 /nfs/dbraw/zinc/48/20/94/562482094.db2.gz DSDMHYSOEUGBCB-KBPBESRZSA-N 1 2 360.414 2.009 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000532576055 562482095 /nfs/dbraw/zinc/48/20/95/562482095.db2.gz DSDMHYSOEUGBCB-KBPBESRZSA-N 1 2 360.414 2.009 20 5 FEBDLO COC[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000533290167 562504098 /nfs/dbraw/zinc/50/40/98/562504098.db2.gz RATQXJHFNWAQQZ-SNVBAGLBSA-N 1 2 372.219 2.264 20 5 FEBDLO COC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000533290167 562504099 /nfs/dbraw/zinc/50/40/99/562504099.db2.gz RATQXJHFNWAQQZ-SNVBAGLBSA-N 1 2 372.219 2.264 20 5 FEBDLO O=C(NCc1ccc(CO)c(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000533793093 562518158 /nfs/dbraw/zinc/51/81/58/562518158.db2.gz FHXMKVJVGCGEQL-UHFFFAOYSA-N 1 2 370.340 2.342 20 5 FEBDLO Cc1ccc(NC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c(C)[nH+]1 ZINC000535277227 562554760 /nfs/dbraw/zinc/55/47/60/562554760.db2.gz OLWLDXXXIUEVEO-UHFFFAOYSA-N 1 2 354.366 2.130 20 5 FEBDLO Cn1cc([N+](=O)[O-])c(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)n1 ZINC000545576885 562629222 /nfs/dbraw/zinc/62/92/22/562629222.db2.gz GGXMSRMKOPREIG-UHFFFAOYSA-N 1 2 351.326 2.290 20 5 FEBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609470887 567923466 /nfs/dbraw/zinc/92/34/66/567923466.db2.gz ULRCUSSPZDQHJW-HNNXBMFYSA-N 1 2 359.386 2.217 20 5 FEBDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000602135318 567934150 /nfs/dbraw/zinc/93/41/50/567934150.db2.gz ZPOLMHDDPOLVBB-CYBMUJFWSA-N 1 2 369.303 2.265 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](CCCCCF)CC2)cc1 ZINC000560157544 674570455 /nfs/dbraw/zinc/57/04/55/674570455.db2.gz XYCVOFIKEKTJCL-UHFFFAOYSA-N 1 2 359.423 2.041 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2COc3ccc(F)cc32)cc1 ZINC000564131442 674976094 /nfs/dbraw/zinc/97/60/94/674976094.db2.gz NPRINLPQMKXLMC-HNNXBMFYSA-N 1 2 366.370 2.231 20 5 FEBDLO C[C@H]([C@H](C)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000104975978 670797350 /nfs/dbraw/zinc/79/73/50/670797350.db2.gz ULWBGXGJUSDFQV-WDEREUQCSA-N 1 2 356.810 2.479 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609134712 675911439 /nfs/dbraw/zinc/91/14/39/675911439.db2.gz KIPDVKVLEYTXNZ-OAHLLOKOSA-N 1 2 364.427 2.380 20 5 FEBDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121220327 671945237 /nfs/dbraw/zinc/94/52/37/671945237.db2.gz BZHKIRKBBOTJBB-ZDUSSCGKSA-N 1 2 364.427 2.191 20 5 FEBDLO COC(=O)C[C@H]1CSCC[N@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121220327 671945238 /nfs/dbraw/zinc/94/52/38/671945238.db2.gz BZHKIRKBBOTJBB-ZDUSSCGKSA-N 1 2 364.427 2.191 20 5 FEBDLO C[NH+]1CCN(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000147003600 672150636 /nfs/dbraw/zinc/15/06/36/672150636.db2.gz AAPDAUGENLMJQF-UHFFFAOYSA-N 1 2 352.441 2.071 20 5 FEBDLO CN(C[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1)C(=O)OC(C)(C)C ZINC000151915350 672171435 /nfs/dbraw/zinc/17/14/35/672171435.db2.gz BSKJJAPTFZDYCF-CYBMUJFWSA-N 1 2 353.423 2.328 20 5 FEBDLO CN(C[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1)C(=O)OC(C)(C)C ZINC000151915350 672171440 /nfs/dbraw/zinc/17/14/40/672171440.db2.gz BSKJJAPTFZDYCF-CYBMUJFWSA-N 1 2 353.423 2.328 20 5 FEBDLO CC(C)c1ccc(C[N@H+](C)CCN2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000611276825 676029118 /nfs/dbraw/zinc/02/91/18/676029118.db2.gz SFNDDGRWQLSMRK-UHFFFAOYSA-N 1 2 355.460 2.186 20 5 FEBDLO CC(C)c1ccc(C[N@@H+](C)CCN2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000611276825 676029121 /nfs/dbraw/zinc/02/91/21/676029121.db2.gz SFNDDGRWQLSMRK-UHFFFAOYSA-N 1 2 355.460 2.186 20 5 FEBDLO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000611539019 676043127 /nfs/dbraw/zinc/04/31/27/676043127.db2.gz UUVWNHZXYCDBDR-MRXNPFEDSA-N 1 2 364.427 2.001 20 5 FEBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000591845953 672715804 /nfs/dbraw/zinc/71/58/04/672715804.db2.gz URNYIVGFQGVKKI-GFCCVEGCSA-N 1 2 352.192 2.396 20 5 FEBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000591845953 672715805 /nfs/dbraw/zinc/71/58/05/672715805.db2.gz URNYIVGFQGVKKI-GFCCVEGCSA-N 1 2 352.192 2.396 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000593056123 672869108 /nfs/dbraw/zinc/86/91/08/672869108.db2.gz YMNNXLBGHMYTHG-AWEZNQCLSA-N 1 2 351.403 2.431 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000593056123 672869112 /nfs/dbraw/zinc/86/91/12/672869112.db2.gz YMNNXLBGHMYTHG-AWEZNQCLSA-N 1 2 351.403 2.431 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000593055544 672869126 /nfs/dbraw/zinc/86/91/26/672869126.db2.gz LJUBACANRFOHIH-AWEZNQCLSA-N 1 2 351.403 2.431 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000593055544 672869129 /nfs/dbraw/zinc/86/91/29/672869129.db2.gz LJUBACANRFOHIH-AWEZNQCLSA-N 1 2 351.403 2.431 20 5 FEBDLO COc1cc(C[NH2+]Cc2cnc(C(F)(F)F)nc2)c([N+](=O)[O-])cc1O ZINC000594949634 673179965 /nfs/dbraw/zinc/17/99/65/673179965.db2.gz FNRDQUGGXUVZGW-UHFFFAOYSA-N 1 2 358.276 2.408 20 5 FEBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000597640264 673495399 /nfs/dbraw/zinc/49/53/99/673495399.db2.gz KAXHUNIZJVCOJJ-UHFFFAOYSA-N 1 2 363.443 2.168 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000597993545 673527450 /nfs/dbraw/zinc/52/74/50/673527450.db2.gz GYBHYEPTVMXZRV-NEPJUHHUSA-N 1 2 355.822 2.396 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000597993545 673527451 /nfs/dbraw/zinc/52/74/51/673527451.db2.gz GYBHYEPTVMXZRV-NEPJUHHUSA-N 1 2 355.822 2.396 20 5 FEBDLO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000598599018 673587747 /nfs/dbraw/zinc/58/77/47/673587747.db2.gz WTTUWZIRQFAPDU-ZDUSSCGKSA-N 1 2 367.427 2.386 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599392768 673668690 /nfs/dbraw/zinc/66/86/90/673668690.db2.gz ZZOCXLKDFOXKFN-ZDUSSCGKSA-N 1 2 371.434 2.419 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000599392768 673668692 /nfs/dbraw/zinc/66/86/92/673668692.db2.gz ZZOCXLKDFOXKFN-ZDUSSCGKSA-N 1 2 371.434 2.419 20 5 FEBDLO O=C(CSc1ccccc1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000544055056 673685684 /nfs/dbraw/zinc/68/56/84/673685684.db2.gz BWMQDUAWQDYPEW-UHFFFAOYSA-N 1 2 358.423 2.431 20 5 FEBDLO CC1=CC[N@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000545160282 673747789 /nfs/dbraw/zinc/74/77/89/673747789.db2.gz OQLUIRRYLJNXHU-UHFFFAOYSA-N 1 2 359.835 2.179 20 5 FEBDLO CC1=CC[N@@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000545160282 673747795 /nfs/dbraw/zinc/74/77/95/673747795.db2.gz OQLUIRRYLJNXHU-UHFFFAOYSA-N 1 2 359.835 2.179 20 5 FEBDLO COc1cc(C[N@@H+]2CCC[C@H](N3CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000566425382 675212802 /nfs/dbraw/zinc/21/28/02/675212802.db2.gz VZITWMZUSYMKHD-AWEZNQCLSA-N 1 2 353.394 2.039 20 5 FEBDLO COc1cc(C[N@H+]2CCC[C@H](N3CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000566425382 675212804 /nfs/dbraw/zinc/21/28/04/675212804.db2.gz VZITWMZUSYMKHD-AWEZNQCLSA-N 1 2 353.394 2.039 20 5 FEBDLO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2cscn2)cc1[N+](=O)[O-] ZINC000566500489 675219511 /nfs/dbraw/zinc/21/95/11/675219511.db2.gz IZPHKFTZWHXWQQ-JTQLQIEISA-N 1 2 351.384 2.454 20 5 FEBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1c[nH+]ccc1-n1ccnn1 ZINC000567426432 675292180 /nfs/dbraw/zinc/29/21/80/675292180.db2.gz WIPKAMADOSEVAI-UHFFFAOYSA-N 1 2 356.367 2.301 20 5 FEBDLO Cc1c(Br)c(=O)n(Cc2cc[nH+]c(N(C)C)c2)cc1[N+](=O)[O-] ZINC000762477630 680750896 /nfs/dbraw/zinc/75/08/96/680750896.db2.gz QHZQUMAAGDDITI-UHFFFAOYSA-N 1 2 367.203 2.337 20 5 FEBDLO O=C(C[NH2+][C@H](CCO)c1ccco1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839562164 680761784 /nfs/dbraw/zinc/76/17/84/680761784.db2.gz ZTNUPJNQJWFDTL-LLVKDONJSA-N 1 2 353.762 2.493 20 5 FEBDLO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1cccc([N+](=O)[O-])c1Br ZINC000839589468 680764211 /nfs/dbraw/zinc/76/42/11/680764211.db2.gz MBWLVRONOVMPIH-ZYHUDNBSSA-N 1 2 359.220 2.329 20 5 FEBDLO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1cccc([N+](=O)[O-])c1Br ZINC000839589468 680764212 /nfs/dbraw/zinc/76/42/12/680764212.db2.gz MBWLVRONOVMPIH-ZYHUDNBSSA-N 1 2 359.220 2.329 20 5 FEBDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000832523701 680143407 /nfs/dbraw/zinc/14/34/07/680143407.db2.gz HOUGGUHJXUQVKN-NSHDSACASA-N 1 2 361.851 2.353 20 5 FEBDLO Cc1cccc(Cl)c1C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000981137631 680216841 /nfs/dbraw/zinc/21/68/41/680216841.db2.gz BAEDSZIECMGSQR-CZUORRHYSA-N 1 2 351.834 2.348 20 5 FEBDLO Cc1cccc(Cl)c1C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000981137631 680216845 /nfs/dbraw/zinc/21/68/45/680216845.db2.gz BAEDSZIECMGSQR-CZUORRHYSA-N 1 2 351.834 2.348 20 5 FEBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1cccc([N+](=O)[O-])c1Cl ZINC000836599476 680487855 /nfs/dbraw/zinc/48/78/55/680487855.db2.gz LKZUGYNYJVEMEX-PHIMTYICSA-N 1 2 354.794 2.233 20 5 FEBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1cccc([N+](=O)[O-])c1Cl ZINC000836599476 680487857 /nfs/dbraw/zinc/48/78/57/680487857.db2.gz LKZUGYNYJVEMEX-PHIMTYICSA-N 1 2 354.794 2.233 20 5 FEBDLO CC[C@@H]1C[N@H+](Cn2nccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000756909824 680504587 /nfs/dbraw/zinc/50/45/87/680504587.db2.gz MIELVUPDBVZGPD-OLZOCXBDSA-N 1 2 353.423 2.374 20 5 FEBDLO CC[C@@H]1C[N@@H+](Cn2nccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000756909824 680504588 /nfs/dbraw/zinc/50/45/88/680504588.db2.gz MIELVUPDBVZGPD-OLZOCXBDSA-N 1 2 353.423 2.374 20 5 FEBDLO COc1ccc(Cl)c(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001002786687 680508438 /nfs/dbraw/zinc/50/84/38/680508438.db2.gz FBGQUUPGKPUTBI-GDBMZVCRSA-N 1 2 367.833 2.094 20 5 FEBDLO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CCn2c[nH+]cc21 ZINC000912584752 685399740 /nfs/dbraw/zinc/39/97/40/685399740.db2.gz SFLOYKGZJZSFNX-LLVKDONJSA-N 1 2 365.187 2.358 20 5 FEBDLO C[C@H]1[C@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)CCN1C(=O)OC(C)(C)C ZINC000776606779 681415572 /nfs/dbraw/zinc/41/55/72/681415572.db2.gz NONXYYJVNZOYTP-STQMWFEESA-N 1 2 353.423 2.121 20 5 FEBDLO C[C@H]1[C@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCN1C(=O)OC(C)(C)C ZINC000776606779 681415576 /nfs/dbraw/zinc/41/55/76/681415576.db2.gz NONXYYJVNZOYTP-STQMWFEESA-N 1 2 353.423 2.121 20 5 FEBDLO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000935409437 681745305 /nfs/dbraw/zinc/74/53/05/681745305.db2.gz DRSFBJMHQVQROH-LBPRGKRZSA-N 1 2 363.443 2.067 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913462487 685477852 /nfs/dbraw/zinc/47/78/52/685477852.db2.gz ITEUYUBAGPUYFB-CYBMUJFWSA-N 1 2 363.805 2.077 20 5 FEBDLO O=C(OCCO[C@H]1CC1(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000849766710 681800016 /nfs/dbraw/zinc/80/00/16/681800016.db2.gz PUGZSZCLQQAZML-ZDUSSCGKSA-N 1 2 353.281 2.362 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000935933766 681858152 /nfs/dbraw/zinc/85/81/52/681858152.db2.gz NPQICWCBBJSZFV-OCCSQVGLSA-N 1 2 365.455 2.252 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](Cc1cscn1)CC2 ZINC000957550385 681907091 /nfs/dbraw/zinc/90/70/91/681907091.db2.gz YDXKTPYIEGYPBG-HUUCEWRRSA-N 1 2 364.471 2.013 20 5 FEBDLO COc1ccc(C[NH2+]Cc2cn(C)nc2Br)cc1[N+](=O)[O-] ZINC000858118057 682935760 /nfs/dbraw/zinc/93/57/60/682935760.db2.gz MHRYEBMNEUQKIW-UHFFFAOYSA-N 1 2 355.192 2.389 20 5 FEBDLO O=C1N[C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]2CO1 ZINC000798957465 683408045 /nfs/dbraw/zinc/40/80/45/683408045.db2.gz DFRCMBGYJCNGBY-PWSUYJOCSA-N 1 2 357.313 2.127 20 5 FEBDLO O=C1N[C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]2CO1 ZINC000798957465 683408051 /nfs/dbraw/zinc/40/80/51/683408051.db2.gz DFRCMBGYJCNGBY-PWSUYJOCSA-N 1 2 357.313 2.127 20 5 FEBDLO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000862142368 683536286 /nfs/dbraw/zinc/53/62/86/683536286.db2.gz YVKCXWAWTNRKJY-SDDRHHMPSA-N 1 2 355.822 2.476 20 5 FEBDLO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000862142368 683536290 /nfs/dbraw/zinc/53/62/90/683536290.db2.gz YVKCXWAWTNRKJY-SDDRHHMPSA-N 1 2 355.822 2.476 20 5 FEBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000921806627 683580213 /nfs/dbraw/zinc/58/02/13/683580213.db2.gz KNUHYQXRIBLEMB-KGLIPLIRSA-N 1 2 350.419 2.066 20 5 FEBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000921806629 683580228 /nfs/dbraw/zinc/58/02/28/683580228.db2.gz KNUHYQXRIBLEMB-ZIAGYGMSSA-N 1 2 350.419 2.066 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000929366293 683585369 /nfs/dbraw/zinc/58/53/69/683585369.db2.gz CKTZJXZBSDVHPF-AWEZNQCLSA-N 1 2 365.455 2.254 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000932081158 684404135 /nfs/dbraw/zinc/40/41/35/684404135.db2.gz QNNJAZBBZFPMPH-MFKMUULPSA-N 1 2 366.361 2.314 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000932081158 684404138 /nfs/dbraw/zinc/40/41/38/684404138.db2.gz QNNJAZBBZFPMPH-MFKMUULPSA-N 1 2 366.361 2.314 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000932081159 684404210 /nfs/dbraw/zinc/40/42/10/684404210.db2.gz QNNJAZBBZFPMPH-ZWNOBZJWSA-N 1 2 366.361 2.314 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000932081159 684404214 /nfs/dbraw/zinc/40/42/14/684404214.db2.gz QNNJAZBBZFPMPH-ZWNOBZJWSA-N 1 2 366.361 2.314 20 5 FEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800201652 674032494 /nfs/dbraw/zinc/03/24/94/674032494.db2.gz KCYCRDYDFHQQEB-HOCLYGCPSA-N 1 2 350.415 2.427 20 5 FEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800201652 674032497 /nfs/dbraw/zinc/03/24/97/674032497.db2.gz KCYCRDYDFHQQEB-HOCLYGCPSA-N 1 2 350.415 2.427 20 5 FEBDLO COC(=O)c1cc(C(=O)NCCc2cn3ccccc3[nH+]2)cc([N+](=O)[O-])c1 ZINC000012666552 539568941 /nfs/dbraw/zinc/56/89/41/539568941.db2.gz CRSRZCQJZPLRJT-UHFFFAOYSA-N 1 2 368.349 2.002 20 5 FEBDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000015572920 539620499 /nfs/dbraw/zinc/62/04/99/539620499.db2.gz FZSUZKRLGVUVAF-IRXDYDNUSA-N 1 2 374.485 2.217 20 5 FEBDLO C[C@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000015572920 539620504 /nfs/dbraw/zinc/62/05/04/539620504.db2.gz FZSUZKRLGVUVAF-IRXDYDNUSA-N 1 2 374.485 2.217 20 5 FEBDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000022312153 539694436 /nfs/dbraw/zinc/69/44/36/539694436.db2.gz USDAJGKTFQDAMD-QGZVFWFLSA-N 1 2 372.425 2.045 20 5 FEBDLO CC(C)N(C)C(=O)C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000030271218 539876876 /nfs/dbraw/zinc/87/68/76/539876876.db2.gz AEVQDLGBPVKUAI-UHFFFAOYSA-N 1 2 362.430 2.112 20 5 FEBDLO CN(C)c1[nH+]cccc1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000032438004 539939083 /nfs/dbraw/zinc/93/90/83/539939083.db2.gz BCXYNPNVRJPJJG-UHFFFAOYSA-N 1 2 370.818 2.188 20 5 FEBDLO COc1cc(C(=O)NCc2ccc(N(C)C)[nH+]c2)c([N+](=O)[O-])cc1OC ZINC000046387566 540255473 /nfs/dbraw/zinc/25/54/73/540255473.db2.gz UNROCAVYWMLYQZ-UHFFFAOYSA-N 1 2 360.370 2.003 20 5 FEBDLO CC(=O)NC1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000050933002 540416816 /nfs/dbraw/zinc/41/68/16/540416816.db2.gz QJXKUJNIXUKDIU-UHFFFAOYSA-N 1 2 355.398 2.465 20 5 FEBDLO C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000051424216 540433862 /nfs/dbraw/zinc/43/38/62/540433862.db2.gz YBIDJZHHUVSHPJ-HNNXBMFYSA-N 1 2 369.425 2.163 20 5 FEBDLO O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N(C1CC1)C1CCCC1 ZINC000052610696 540477477 /nfs/dbraw/zinc/47/74/77/540477477.db2.gz ZRLCLRNEAWLWBE-UHFFFAOYSA-N 1 2 373.457 2.045 20 5 FEBDLO Cc1noc([C@@H]2CCC[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)n1 ZINC000052862573 540495480 /nfs/dbraw/zinc/49/54/80/540495480.db2.gz UVGWOXASXKDPJB-CQSZACIVSA-N 1 2 371.397 2.055 20 5 FEBDLO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)n1 ZINC000052862573 540495483 /nfs/dbraw/zinc/49/54/83/540495483.db2.gz UVGWOXASXKDPJB-CQSZACIVSA-N 1 2 371.397 2.055 20 5 FEBDLO COc1cc(C[N@@H+]2CCCN(C(C)=O)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000053815538 540556390 /nfs/dbraw/zinc/55/63/90/540556390.db2.gz HPSLSSSTHMPQAN-UHFFFAOYSA-N 1 2 373.356 2.259 20 5 FEBDLO COc1cc(C[N@H+]2CCCN(C(C)=O)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000053815538 540556393 /nfs/dbraw/zinc/55/63/93/540556393.db2.gz HPSLSSSTHMPQAN-UHFFFAOYSA-N 1 2 373.356 2.259 20 5 FEBDLO CNC(=O)C1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000054389670 540587559 /nfs/dbraw/zinc/58/75/59/540587559.db2.gz MXXFRFIYPRQYHQ-UHFFFAOYSA-N 1 2 355.398 2.323 20 5 FEBDLO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccn2)CC1 ZINC000055199528 540635413 /nfs/dbraw/zinc/63/54/13/540635413.db2.gz WHVAFLKHHRGGKM-UHFFFAOYSA-N 1 2 369.425 2.136 20 5 FEBDLO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccncc2)CC1 ZINC000055416710 540652382 /nfs/dbraw/zinc/65/23/82/540652382.db2.gz ROWNYBWZMAGYDX-UHFFFAOYSA-N 1 2 369.425 2.136 20 5 FEBDLO CC(C)CCOCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000056284285 540716164 /nfs/dbraw/zinc/71/61/64/540716164.db2.gz WLUWITWVPMSODR-UHFFFAOYSA-N 1 2 355.460 2.477 20 5 FEBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000057005553 540761098 /nfs/dbraw/zinc/76/10/98/540761098.db2.gz PEMJNFAAGLGTFQ-UHFFFAOYSA-N 1 2 355.398 2.017 20 5 FEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000057485804 540799837 /nfs/dbraw/zinc/79/98/37/540799837.db2.gz OMUKXUCEFMIHLR-ZDUSSCGKSA-N 1 2 367.471 2.302 20 5 FEBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000057754625 540813854 /nfs/dbraw/zinc/81/38/54/540813854.db2.gz HSJKKBZYMJYODF-UHFFFAOYSA-N 1 2 372.303 2.391 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc[nH+]c2N(C)C)cc1C ZINC000060499763 541114508 /nfs/dbraw/zinc/11/45/08/541114508.db2.gz BOMXEOMVCONEBW-UHFFFAOYSA-N 1 2 364.427 2.151 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1C ZINC000060497054 541114605 /nfs/dbraw/zinc/11/46/05/541114605.db2.gz JSITXCJHSRBDEF-CQSZACIVSA-N 1 2 367.427 2.386 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000061162942 541127176 /nfs/dbraw/zinc/12/71/76/541127176.db2.gz IPEOHMYOWGTXRK-UHFFFAOYSA-N 1 2 372.429 2.192 20 5 FEBDLO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000063482918 541170323 /nfs/dbraw/zinc/17/03/23/541170323.db2.gz NWFAKMNAORAYFO-QPJJXVBHSA-N 1 2 369.425 2.039 20 5 FEBDLO CC1CCN(c2ccc(CNC(=O)CCn3cc([N+](=O)[O-])cn3)c[nH+]2)CC1 ZINC000065781511 541261613 /nfs/dbraw/zinc/26/16/13/541261613.db2.gz NNXVVJJQPKGXBF-UHFFFAOYSA-N 1 2 372.429 2.129 20 5 FEBDLO CCCc1n[nH]c(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000068505115 541601059 /nfs/dbraw/zinc/60/10/59/541601059.db2.gz CQTAKUSZNLGRAB-UHFFFAOYSA-N 1 2 363.443 2.290 20 5 FEBDLO CCCc1[nH]nc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000068505115 541601061 /nfs/dbraw/zinc/60/10/61/541601061.db2.gz CQTAKUSZNLGRAB-UHFFFAOYSA-N 1 2 363.443 2.290 20 5 FEBDLO Nc1nc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2ccccc12 ZINC000072665194 541847562 /nfs/dbraw/zinc/84/75/62/541847562.db2.gz PEXMHCRHAXEXPX-LBPRGKRZSA-N 1 2 365.397 2.202 20 5 FEBDLO Nc1nc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2ccccc12 ZINC000072665194 541847565 /nfs/dbraw/zinc/84/75/65/541847565.db2.gz PEXMHCRHAXEXPX-LBPRGKRZSA-N 1 2 365.397 2.202 20 5 FEBDLO O=C(CNc1ccccc1[N+](=O)[O-])NCc1[nH+]ccn1CC(F)(F)F ZINC000075709555 542199746 /nfs/dbraw/zinc/19/97/46/542199746.db2.gz ZDEDQAYSSWADOL-UHFFFAOYSA-N 1 2 357.292 2.082 20 5 FEBDLO Cc1cc(NC[C@@H](O)c2cnn(C)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000078375423 542458992 /nfs/dbraw/zinc/45/89/92/542458992.db2.gz HKWXEALXKQXOLT-OAHLLOKOSA-N 1 2 354.370 2.239 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)c1C ZINC000052781988 221039572 /nfs/dbraw/zinc/03/95/72/221039572.db2.gz SEEKANWQZPXVFD-CQSZACIVSA-N 1 2 367.427 2.386 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000065684970 221235456 /nfs/dbraw/zinc/23/54/56/221235456.db2.gz KRXWGEFVMWKGSL-CQSZACIVSA-N 1 2 367.427 2.331 20 5 FEBDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)S1 ZINC000097600399 132305682 /nfs/dbraw/zinc/30/56/82/132305682.db2.gz POHHHIAQYKODBD-JTQLQIEISA-N 1 2 351.388 2.116 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000088716748 542755575 /nfs/dbraw/zinc/75/55/75/542755575.db2.gz YIHVGUGIRSHZFL-UHFFFAOYSA-N 1 2 369.425 2.449 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CC(=O)NCc3ccccc3)CC2)c1 ZINC000088699905 542755636 /nfs/dbraw/zinc/75/56/36/542755636.db2.gz VXSNEAIMDLLDIU-UHFFFAOYSA-N 1 2 368.437 2.342 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000088777404 542757246 /nfs/dbraw/zinc/75/72/46/542757246.db2.gz XTAXKGWOWZUKTJ-LBPRGKRZSA-N 1 2 350.400 2.195 20 5 FEBDLO CC(=O)N1CC[NH+](CCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090071110 542781825 /nfs/dbraw/zinc/78/18/25/542781825.db2.gz FUUYMNMOFUIOLD-UHFFFAOYSA-N 1 2 369.425 2.233 20 5 FEBDLO CCC(=O)N1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000092187002 542847569 /nfs/dbraw/zinc/84/75/69/542847569.db2.gz KQEKZBHEXMOYOU-UHFFFAOYSA-N 1 2 351.403 2.056 20 5 FEBDLO CCC(=O)N1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000092187002 542847572 /nfs/dbraw/zinc/84/75/72/542847572.db2.gz KQEKZBHEXMOYOU-UHFFFAOYSA-N 1 2 351.403 2.056 20 5 FEBDLO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000112997272 543471783 /nfs/dbraw/zinc/47/17/83/543471783.db2.gz ZXTYBCZOPHWMQS-GOSISDBHSA-N 1 2 373.409 2.232 20 5 FEBDLO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000112997272 543471784 /nfs/dbraw/zinc/47/17/84/543471784.db2.gz ZXTYBCZOPHWMQS-GOSISDBHSA-N 1 2 373.409 2.232 20 5 FEBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](O)COCc1ccccc1 ZINC000114189648 543506642 /nfs/dbraw/zinc/50/66/42/543506642.db2.gz MWNGEROJUYLURM-INIZCTEOSA-N 1 2 373.409 2.043 20 5 FEBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](O)COCc1ccccc1 ZINC000114189648 543506645 /nfs/dbraw/zinc/50/66/45/543506645.db2.gz MWNGEROJUYLURM-INIZCTEOSA-N 1 2 373.409 2.043 20 5 FEBDLO C[N@@H+]1CC[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000124434252 543821312 /nfs/dbraw/zinc/82/13/12/543821312.db2.gz WUUBUKJNOCODHP-FZMZJTMJSA-N 1 2 367.768 2.286 20 5 FEBDLO C[N@H+]1CC[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000124434252 543821315 /nfs/dbraw/zinc/82/13/15/543821315.db2.gz WUUBUKJNOCODHP-FZMZJTMJSA-N 1 2 367.768 2.286 20 5 FEBDLO Cc1ccc(CN2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000127957978 544024132 /nfs/dbraw/zinc/02/41/32/544024132.db2.gz HLJISJNHTJVRDV-KRWDZBQOSA-N 1 2 374.485 2.422 20 5 FEBDLO O=C(C[N@@H+](CCO)Cc1cccnc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000129618045 544120941 /nfs/dbraw/zinc/12/09/41/544120941.db2.gz HZDPIIJSDJWTKQ-UHFFFAOYSA-N 1 2 364.789 2.076 20 5 FEBDLO O=C(C[N@H+](CCO)Cc1cccnc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000129618045 544120943 /nfs/dbraw/zinc/12/09/43/544120943.db2.gz HZDPIIJSDJWTKQ-UHFFFAOYSA-N 1 2 364.789 2.076 20 5 FEBDLO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2cn3ccccc3[nH+]2)C1=O ZINC000097604345 222198242 /nfs/dbraw/zinc/19/82/42/222198242.db2.gz IZNOBXOJLHZDFZ-SFHVURJKSA-N 1 2 365.349 2.210 20 5 FEBDLO Cc1nc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000133906165 544287282 /nfs/dbraw/zinc/28/72/82/544287282.db2.gz QSMLTDVGTUBOSJ-MRXNPFEDSA-N 1 2 356.382 2.138 20 5 FEBDLO Cc1nc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000133906165 544287285 /nfs/dbraw/zinc/28/72/85/544287285.db2.gz QSMLTDVGTUBOSJ-MRXNPFEDSA-N 1 2 356.382 2.138 20 5 FEBDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000134542961 544312654 /nfs/dbraw/zinc/31/26/54/544312654.db2.gz YMHVJNORRVODPF-UHFFFAOYSA-N 1 2 358.807 2.156 20 5 FEBDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000134986396 544330309 /nfs/dbraw/zinc/33/03/09/544330309.db2.gz RYUAGVXXSWKFBL-LLVKDONJSA-N 1 2 363.805 2.490 20 5 FEBDLO COc1ccc(CNC(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153292620 544756987 /nfs/dbraw/zinc/75/69/87/544756987.db2.gz OCGFFYHEMKILRE-UHFFFAOYSA-N 1 2 355.394 2.278 20 5 FEBDLO COc1ccc(CNC(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153292620 544756989 /nfs/dbraw/zinc/75/69/89/544756989.db2.gz OCGFFYHEMKILRE-UHFFFAOYSA-N 1 2 355.394 2.278 20 5 FEBDLO Cc1noc(C)c1C[NH+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154498890 544913445 /nfs/dbraw/zinc/91/34/45/544913445.db2.gz SQLQSGXJPSHNHA-GOSISDBHSA-N 1 2 360.414 2.051 20 5 FEBDLO Cc1noc(C)c1CN1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154498890 544913450 /nfs/dbraw/zinc/91/34/50/544913450.db2.gz SQLQSGXJPSHNHA-GOSISDBHSA-N 1 2 360.414 2.051 20 5 FEBDLO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000154563021 544921892 /nfs/dbraw/zinc/92/18/92/544921892.db2.gz UIUMYCIOPYUWJV-IBGZPJMESA-N 1 2 357.410 2.152 20 5 FEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(Cc3cccc(O)c3)CC2)c1 ZINC000154563021 544921897 /nfs/dbraw/zinc/92/18/97/544921897.db2.gz UIUMYCIOPYUWJV-IBGZPJMESA-N 1 2 357.410 2.152 20 5 FEBDLO O=C1C[C@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C(=O)N1Cc1ccccc1 ZINC000154854552 544958346 /nfs/dbraw/zinc/95/83/46/544958346.db2.gz WZOYREAOGJKGCZ-SFHVURJKSA-N 1 2 365.389 2.281 20 5 FEBDLO O=C1C[C@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C(=O)N1Cc1ccccc1 ZINC000154854552 544958348 /nfs/dbraw/zinc/95/83/48/544958348.db2.gz WZOYREAOGJKGCZ-SFHVURJKSA-N 1 2 365.389 2.281 20 5 FEBDLO O=C(Nc1ccncc1[N+](=O)[O-])N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000183601686 327826033 /nfs/dbraw/zinc/82/60/33/327826033.db2.gz LEFDCDWQWKYLSF-MRXNPFEDSA-N 1 2 371.397 2.185 20 5 FEBDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000187573348 328033993 /nfs/dbraw/zinc/03/39/93/328033993.db2.gz ICYTWFAUQFZYPZ-UKRRQHHQSA-N 1 2 362.407 2.432 20 5 FEBDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000187573348 328033994 /nfs/dbraw/zinc/03/39/94/328033994.db2.gz ICYTWFAUQFZYPZ-UKRRQHHQSA-N 1 2 362.407 2.432 20 5 FEBDLO CSc1cccc(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c1[N+](=O)[O-] ZINC000188353698 328082455 /nfs/dbraw/zinc/08/24/55/328082455.db2.gz LALWHONYAPMQTG-UHFFFAOYSA-N 1 2 373.438 2.378 20 5 FEBDLO CCS(=O)(=O)CCCCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000190383604 328204523 /nfs/dbraw/zinc/20/45/23/328204523.db2.gz INZKRBZVVYWCTC-UHFFFAOYSA-N 1 2 369.487 2.322 20 5 FEBDLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000191447662 328266317 /nfs/dbraw/zinc/26/63/17/328266317.db2.gz STGPLLNEBDLCRQ-CYBMUJFWSA-N 1 2 365.415 2.262 20 5 FEBDLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000191447662 328266318 /nfs/dbraw/zinc/26/63/18/328266318.db2.gz STGPLLNEBDLCRQ-CYBMUJFWSA-N 1 2 365.415 2.262 20 5 FEBDLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)n1 ZINC000191456034 328266620 /nfs/dbraw/zinc/26/66/20/328266620.db2.gz DOGJZWCDZGPGHF-GFCCVEGCSA-N 1 2 365.415 2.262 20 5 FEBDLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)n1 ZINC000191456034 328266622 /nfs/dbraw/zinc/26/66/22/328266622.db2.gz DOGJZWCDZGPGHF-GFCCVEGCSA-N 1 2 365.415 2.262 20 5 FEBDLO O=[N+]([O-])c1cnc(N(CCC[NH+]2CCOCC2)Cc2ccncc2)s1 ZINC000192500329 328322674 /nfs/dbraw/zinc/32/26/74/328322674.db2.gz PPYSVQGQNNKYDY-UHFFFAOYSA-N 1 2 363.443 2.175 20 5 FEBDLO CCc1n[nH]c(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000192596218 328327829 /nfs/dbraw/zinc/32/78/29/328327829.db2.gz VSLIAPNBRRRXEW-ZDUSSCGKSA-N 1 2 357.414 2.227 20 5 FEBDLO CCc1n[nH]c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000192596218 328327830 /nfs/dbraw/zinc/32/78/30/328327830.db2.gz VSLIAPNBRRRXEW-ZDUSSCGKSA-N 1 2 357.414 2.227 20 5 FEBDLO CCc1[nH]nc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000192596218 328327831 /nfs/dbraw/zinc/32/78/31/328327831.db2.gz VSLIAPNBRRRXEW-ZDUSSCGKSA-N 1 2 357.414 2.227 20 5 FEBDLO CCc1[nH]nc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000192596218 328327832 /nfs/dbraw/zinc/32/78/32/328327832.db2.gz VSLIAPNBRRRXEW-ZDUSSCGKSA-N 1 2 357.414 2.227 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCOC[C@]34CCOC4)o2)c1 ZINC000193731400 328392335 /nfs/dbraw/zinc/39/23/35/328392335.db2.gz MFIDFYRMAPDJCM-GOSISDBHSA-N 1 2 359.382 2.284 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCOC[C@]34CCOC4)o2)c1 ZINC000193731400 328392336 /nfs/dbraw/zinc/39/23/36/328392336.db2.gz MFIDFYRMAPDJCM-GOSISDBHSA-N 1 2 359.382 2.284 20 5 FEBDLO Cn1cc(C(=O)NCCCn2cc[nH+]c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000052930708 324725208 /nfs/dbraw/zinc/72/52/08/324725208.db2.gz NRZPGYUXKVNTEO-UHFFFAOYSA-N 1 2 354.370 2.012 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCN(c4cnccn4)CC3)co2)cc1 ZINC000089887383 325339236 /nfs/dbraw/zinc/33/92/36/325339236.db2.gz RXLWSFJTNCIYGR-UHFFFAOYSA-N 1 2 366.381 2.362 20 5 FEBDLO COC(=O)c1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc([N+](=O)[O-])c1 ZINC000101864975 325482088 /nfs/dbraw/zinc/48/20/88/325482088.db2.gz YYKGIUSTCBDMJB-UHFFFAOYSA-N 1 2 358.354 2.055 20 5 FEBDLO COc1cc(OCC(=O)NCc2cn3cccc(C)c3[nH+]2)ccc1[N+](=O)[O-] ZINC000110800855 325693308 /nfs/dbraw/zinc/69/33/08/325693308.db2.gz ZHFQWWFPJZBVAZ-UHFFFAOYSA-N 1 2 370.365 2.255 20 5 FEBDLO COc1cc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000119298042 326146952 /nfs/dbraw/zinc/14/69/52/326146952.db2.gz XHEKKJKWLSFNLF-ZDUSSCGKSA-N 1 2 358.398 2.432 20 5 FEBDLO COc1ccc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000120367358 326253151 /nfs/dbraw/zinc/25/31/51/326253151.db2.gz GGBNMEGIOILMHE-CYBMUJFWSA-N 1 2 358.398 2.432 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccnc2)CC1 ZINC000125258009 326468278 /nfs/dbraw/zinc/46/82/78/326468278.db2.gz GFTDKEKBAWCVCO-OAHLLOKOSA-N 1 2 369.425 2.135 20 5 FEBDLO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H]1CCn2c[nH+]cc2C1 ZINC000136008018 326649019 /nfs/dbraw/zinc/64/90/19/326649019.db2.gz VDTGOEKOMVLAEH-LBPRGKRZSA-N 1 2 352.354 2.383 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151130287 326675502 /nfs/dbraw/zinc/67/55/02/326675502.db2.gz PLRQNQIFPXAALX-CQSZACIVSA-N 1 2 363.395 2.140 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000151484761 326683589 /nfs/dbraw/zinc/68/35/89/326683589.db2.gz ZUAGGFCBSWCPAY-XJKSGUPXSA-N 1 2 371.397 2.148 20 5 FEBDLO O=[N+]([O-])c1ccc(OC[C@@H](O)C[NH+]2CCOCC2)c(-c2cccs2)c1 ZINC000153705038 326740466 /nfs/dbraw/zinc/74/04/66/326740466.db2.gz SESFJUXMMPDYJR-AWEZNQCLSA-N 1 2 364.423 2.395 20 5 FEBDLO O=C(N[C@@H](CO)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000159953050 326948518 /nfs/dbraw/zinc/94/85/18/326948518.db2.gz OYVNDQOHJISJNA-MRXNPFEDSA-N 1 2 366.377 2.114 20 5 FEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000170629355 327089837 /nfs/dbraw/zinc/08/98/37/327089837.db2.gz VZRPGXADHUIGLX-ZDUSSCGKSA-N 1 2 367.471 2.302 20 5 FEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000170629355 327089838 /nfs/dbraw/zinc/08/98/38/327089838.db2.gz VZRPGXADHUIGLX-ZDUSSCGKSA-N 1 2 367.471 2.302 20 5 FEBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000172620673 327212137 /nfs/dbraw/zinc/21/21/37/327212137.db2.gz NSSBIFZMXVYNEC-NEPJUHHUSA-N 1 2 354.370 2.315 20 5 FEBDLO Nc1c(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000178237073 327573629 /nfs/dbraw/zinc/57/36/29/327573629.db2.gz VDRSHQTUUCZRLO-UHFFFAOYSA-N 1 2 358.373 2.274 20 5 FEBDLO Cc1c(Br)cc(C(=O)NCCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000178797612 327607684 /nfs/dbraw/zinc/60/76/84/327607684.db2.gz AHSFQTCQPWIOAQ-UHFFFAOYSA-N 1 2 353.176 2.361 20 5 FEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000266048636 329185152 /nfs/dbraw/zinc/18/51/52/329185152.db2.gz ZYQSLMJWPTUFMQ-IBGZPJMESA-N 1 2 369.421 2.155 20 5 FEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000266048636 329185153 /nfs/dbraw/zinc/18/51/53/329185153.db2.gz ZYQSLMJWPTUFMQ-IBGZPJMESA-N 1 2 369.421 2.155 20 5 FEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000266048640 329185250 /nfs/dbraw/zinc/18/52/50/329185250.db2.gz ZYQSLMJWPTUFMQ-LJQANCHMSA-N 1 2 369.421 2.155 20 5 FEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000266048640 329185252 /nfs/dbraw/zinc/18/52/52/329185252.db2.gz ZYQSLMJWPTUFMQ-LJQANCHMSA-N 1 2 369.421 2.155 20 5 FEBDLO C[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000268171297 329393018 /nfs/dbraw/zinc/39/30/18/329393018.db2.gz PUJYSWOLHMDFRK-RYUDHWBXSA-N 1 2 370.837 2.157 20 5 FEBDLO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269950167 329563014 /nfs/dbraw/zinc/56/30/14/329563014.db2.gz MYCRMYFMNCFKTM-OAHLLOKOSA-N 1 2 355.398 2.110 20 5 FEBDLO CCc1[nH+]c2ccccc2n1Cc1noc(Cn2cc([N+](=O)[O-])nc2C)n1 ZINC000274116866 329917126 /nfs/dbraw/zinc/91/71/26/329917126.db2.gz YKLFYUAEMBSUBP-UHFFFAOYSA-N 1 2 367.369 2.491 20 5 FEBDLO C[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000275667527 330075959 /nfs/dbraw/zinc/07/59/59/330075959.db2.gz ZHOJGLWTLOQNKL-SNVBAGLBSA-N 1 2 373.251 2.034 20 5 FEBDLO C[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000275667527 330075960 /nfs/dbraw/zinc/07/59/60/330075960.db2.gz ZHOJGLWTLOQNKL-SNVBAGLBSA-N 1 2 373.251 2.034 20 5 FEBDLO CC(C)[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1[nH]cc[nH+]1 ZINC000276439505 330151809 /nfs/dbraw/zinc/15/18/09/330151809.db2.gz AMGVXJQQBWFWMD-AWEZNQCLSA-N 1 2 355.358 2.026 20 5 FEBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000276486473 330157189 /nfs/dbraw/zinc/15/71/89/330157189.db2.gz UGQNGBNMQRCOLM-XZJROXQQSA-N 1 2 362.382 2.235 20 5 FEBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000276486473 330157191 /nfs/dbraw/zinc/15/71/91/330157191.db2.gz UGQNGBNMQRCOLM-XZJROXQQSA-N 1 2 362.382 2.235 20 5 FEBDLO COCC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1cccnc1 ZINC000276510616 330159872 /nfs/dbraw/zinc/15/98/72/330159872.db2.gz ZLXFTOZSALKQNN-UHFFFAOYSA-N 1 2 374.397 2.086 20 5 FEBDLO COCC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1cccnc1 ZINC000276510616 330159874 /nfs/dbraw/zinc/15/98/74/330159874.db2.gz ZLXFTOZSALKQNN-UHFFFAOYSA-N 1 2 374.397 2.086 20 5 FEBDLO 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ZINC000479985190 561200596 /nfs/dbraw/zinc/20/05/96/561200596.db2.gz DACDKPUEXFUDFH-UHFFFAOYSA-N 1 2 368.397 2.418 20 5 FEBDLO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177772753 546683948 /nfs/dbraw/zinc/68/39/48/546683948.db2.gz IQHGDOIZMVIWBH-MRXNPFEDSA-N 1 2 366.381 2.282 20 5 FEBDLO CC(C)S(=O)(=O)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178234944 546760913 /nfs/dbraw/zinc/76/09/13/546760913.db2.gz FAUUIZSFFYWPMU-UHFFFAOYSA-N 1 2 356.444 2.261 20 5 FEBDLO CC1CC[NH+](Cc2csc(NC(=O)c3cc([N+](=O)[O-])nn3C)n2)CC1 ZINC000481510624 561234730 /nfs/dbraw/zinc/23/47/30/561234730.db2.gz UOBSVLUWJSJEIM-UHFFFAOYSA-N 1 2 364.431 2.269 20 5 FEBDLO Cc1ccncc1C[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000482998811 561264744 /nfs/dbraw/zinc/26/47/44/561264744.db2.gz TVEZMBWVJDUQLN-UHFFFAOYSA-N 1 2 358.354 2.097 20 5 FEBDLO Cc1ccncc1C[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000482998811 561264745 /nfs/dbraw/zinc/26/47/45/561264745.db2.gz 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O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246270610 549092234 /nfs/dbraw/zinc/09/22/34/549092234.db2.gz MKFFVSYVDPRYJS-UONOGXRCSA-N 1 2 362.411 2.188 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCOc3ccc(F)cc3C2)c1 ZINC000489213403 561405725 /nfs/dbraw/zinc/40/57/25/561405725.db2.gz CXMQUVXJOSLTRK-MRXNPFEDSA-N 1 2 362.357 2.368 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCOc3ccc(F)cc3C2)c1 ZINC000489213403 561405726 /nfs/dbraw/zinc/40/57/26/561405726.db2.gz CXMQUVXJOSLTRK-MRXNPFEDSA-N 1 2 362.357 2.368 20 5 FEBDLO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCO[C@H]1C ZINC000489447937 561411581 /nfs/dbraw/zinc/41/15/81/561411581.db2.gz JIHKZFMNLPVKBM-XHDPSFHLSA-N 1 2 371.821 2.313 20 5 FEBDLO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCO[C@H]1C ZINC000489447937 561411582 /nfs/dbraw/zinc/41/15/82/561411582.db2.gz JIHKZFMNLPVKBM-XHDPSFHLSA-N 1 2 371.821 2.313 20 5 FEBDLO COC(=O)c1cc(C(=O)NCCCCNc2cccc[nH+]2)cc([N+](=O)[O-])c1 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374.393 2.181 20 5 FEBDLO CC(C)(C)[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000273413587 550497642 /nfs/dbraw/zinc/49/76/42/550497642.db2.gz QVEZXLOTPLUKDH-HOTGVXAUSA-N 1 2 370.471 2.097 20 5 FEBDLO CC(C)(C)[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000273413587 550497643 /nfs/dbraw/zinc/49/76/43/550497643.db2.gz QVEZXLOTPLUKDH-HOTGVXAUSA-N 1 2 370.471 2.097 20 5 FEBDLO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCC[NH+]1CCOCC1 ZINC000278552737 550798468 /nfs/dbraw/zinc/79/84/68/550798468.db2.gz VXPKMJJJOLHHKB-UHFFFAOYSA-N 1 2 370.278 2.388 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000278779073 550820901 /nfs/dbraw/zinc/82/09/01/550820901.db2.gz CXPNMHTVXMEEAX-CQSZACIVSA-N 1 2 373.862 2.248 20 5 FEBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000278779073 550820903 /nfs/dbraw/zinc/82/09/03/550820903.db2.gz CXPNMHTVXMEEAX-CQSZACIVSA-N 1 2 373.862 2.248 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000279332222 550878460 /nfs/dbraw/zinc/87/84/60/550878460.db2.gz PMYYHMJLTBLTBY-ZDUSSCGKSA-N 1 2 367.421 2.191 20 5 FEBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)CCO2 ZINC000280522360 551003390 /nfs/dbraw/zinc/00/33/90/551003390.db2.gz RXIGEBDHBMIACK-YVEFUNNKSA-N 1 2 360.370 2.025 20 5 FEBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)CCO2 ZINC000280522360 551003391 /nfs/dbraw/zinc/00/33/91/551003391.db2.gz RXIGEBDHBMIACK-YVEFUNNKSA-N 1 2 360.370 2.025 20 5 FEBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)CCO2 ZINC000280522350 551003612 /nfs/dbraw/zinc/00/36/12/551003612.db2.gz RXIGEBDHBMIACK-SJCJKPOMSA-N 1 2 360.370 2.025 20 5 FEBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)CCO2 ZINC000280522350 551003614 /nfs/dbraw/zinc/00/36/14/551003614.db2.gz RXIGEBDHBMIACK-SJCJKPOMSA-N 1 2 360.370 2.025 20 5 FEBDLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000280920199 551045691 /nfs/dbraw/zinc/04/56/91/551045691.db2.gz JKDGZYLDQBWURC-HZSPNIEDSA-N 1 2 363.414 2.014 20 5 FEBDLO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000280920199 551045692 /nfs/dbraw/zinc/04/56/92/551045692.db2.gz JKDGZYLDQBWURC-HZSPNIEDSA-N 1 2 363.414 2.014 20 5 FEBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000281889459 551153323 /nfs/dbraw/zinc/15/33/23/551153323.db2.gz STDVAYSDRLLBSD-CQSZACIVSA-N 1 2 360.418 2.460 20 5 FEBDLO Nc1ccc([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c1 ZINC000282359593 551217286 /nfs/dbraw/zinc/21/72/86/551217286.db2.gz XIDGFKWVQHRCHT-MOPGFXCFSA-N 1 2 354.410 2.267 20 5 FEBDLO Nc1ccc([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c1 ZINC000282359593 551217288 /nfs/dbraw/zinc/21/72/88/551217288.db2.gz XIDGFKWVQHRCHT-MOPGFXCFSA-N 1 2 354.410 2.267 20 5 FEBDLO CNC(=O)[C@H]1CCC[C@H]1Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497536203 561503294 /nfs/dbraw/zinc/50/32/94/561503294.db2.gz XVBXJRUEBGIKRT-LSDHHAIUSA-N 1 2 355.398 2.109 20 5 FEBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@H]21 ZINC000283834140 551435195 /nfs/dbraw/zinc/43/51/95/551435195.db2.gz ASTWHSCQPCEMQF-KGLIPLIRSA-N 1 2 373.331 2.159 20 5 FEBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@H]21 ZINC000283834140 551435197 /nfs/dbraw/zinc/43/51/97/551435197.db2.gz ASTWHSCQPCEMQF-KGLIPLIRSA-N 1 2 373.331 2.159 20 5 FEBDLO O=[N+]([O-])c1ccc(Br)c2c1CN(CC[NH+]1CCOCC1)CC2 ZINC000284315316 551522247 /nfs/dbraw/zinc/52/22/47/551522247.db2.gz ASZBILXMSCDZLK-UHFFFAOYSA-N 1 2 370.247 2.048 20 5 FEBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H](C)O1 ZINC000285223845 551723230 /nfs/dbraw/zinc/72/32/30/551723230.db2.gz VBUUMHOYLOBTBT-RYUDHWBXSA-N 1 2 359.386 2.179 20 5 FEBDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285592781 551780053 /nfs/dbraw/zinc/78/00/53/551780053.db2.gz LORUIJNJCGWHRV-CYBMUJFWSA-N 1 2 364.402 2.134 20 5 FEBDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285592781 551780054 /nfs/dbraw/zinc/78/00/54/551780054.db2.gz LORUIJNJCGWHRV-CYBMUJFWSA-N 1 2 364.402 2.134 20 5 FEBDLO Cc1noc([C@H]2CCCC[N@@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000285661110 551791496 /nfs/dbraw/zinc/79/14/96/551791496.db2.gz MTZAIKAJQGKETO-DZGCQCFKSA-N 1 2 362.386 2.253 20 5 FEBDLO Cc1noc([C@H]2CCCC[N@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000285661110 551791497 /nfs/dbraw/zinc/79/14/97/551791497.db2.gz MTZAIKAJQGKETO-DZGCQCFKSA-N 1 2 362.386 2.253 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285748659 551804794 /nfs/dbraw/zinc/80/47/94/551804794.db2.gz WKRCXWSOZHFQIR-ZDUSSCGKSA-N 1 2 355.398 2.445 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285748659 551804796 /nfs/dbraw/zinc/80/47/96/551804796.db2.gz WKRCXWSOZHFQIR-ZDUSSCGKSA-N 1 2 355.398 2.445 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000287586149 552022214 /nfs/dbraw/zinc/02/22/14/552022214.db2.gz XRVBHPSEPGSTEM-DGCLKSJQSA-N 1 2 353.806 2.183 20 5 FEBDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000500499173 561575209 /nfs/dbraw/zinc/57/52/09/561575209.db2.gz HWVFVMYVSHTSDZ-ZDUSSCGKSA-N 1 2 359.386 2.135 20 5 FEBDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000500499173 561575210 /nfs/dbraw/zinc/57/52/10/561575210.db2.gz HWVFVMYVSHTSDZ-ZDUSSCGKSA-N 1 2 359.386 2.135 20 5 FEBDLO CC(C)OCc1nc([C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000289773450 552376250 /nfs/dbraw/zinc/37/62/50/552376250.db2.gz GQPXLBGGZNYFMG-SMDDNHRTSA-N 1 2 350.375 2.287 20 5 FEBDLO Cc1cc[nH+]cc1N1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000500687614 561579546 /nfs/dbraw/zinc/57/95/46/561579546.db2.gz OGEKUSZZPSSUSO-UHFFFAOYSA-N 1 2 356.382 2.026 20 5 FEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000291223309 552602258 /nfs/dbraw/zinc/60/22/58/552602258.db2.gz GZTXBGZAAVRRAC-BXUZGUMPSA-N 1 2 353.806 2.183 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291869200 552670286 /nfs/dbraw/zinc/67/02/86/552670286.db2.gz PRMZWRMHKQIPKM-JSGCOSHPSA-N 1 2 359.386 2.074 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291869200 552670287 /nfs/dbraw/zinc/67/02/87/552670287.db2.gz PRMZWRMHKQIPKM-JSGCOSHPSA-N 1 2 359.386 2.074 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000292058923 552689346 /nfs/dbraw/zinc/68/93/46/552689346.db2.gz CHELPNKZNLLVFF-AWEZNQCLSA-N 1 2 363.414 2.290 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCOC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000292058923 552689347 /nfs/dbraw/zinc/68/93/47/552689347.db2.gz CHELPNKZNLLVFF-AWEZNQCLSA-N 1 2 363.414 2.290 20 5 FEBDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000292603158 552742028 /nfs/dbraw/zinc/74/20/28/552742028.db2.gz WFUJNNUYAXSMLY-UHFFFAOYSA-N 1 2 373.804 2.252 20 5 FEBDLO CCOc1cc(N2CC[NH+](Cc3cc(C)ncn3)CC2)ccc1[N+](=O)[O-] ZINC000292737092 552753773 /nfs/dbraw/zinc/75/37/73/552753773.db2.gz GRIRCKWLAOBGHC-UHFFFAOYSA-N 1 2 357.414 2.414 20 5 FEBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000293597769 552838792 /nfs/dbraw/zinc/83/87/92/552838792.db2.gz UWRYGFFYUIDMMB-NSHDSACASA-N 1 2 352.334 2.233 20 5 FEBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000293597769 552838791 /nfs/dbraw/zinc/83/87/91/552838791.db2.gz UWRYGFFYUIDMMB-NSHDSACASA-N 1 2 352.334 2.233 20 5 FEBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000293597762 552838828 /nfs/dbraw/zinc/83/88/28/552838828.db2.gz UWRYGFFYUIDMMB-LLVKDONJSA-N 1 2 352.334 2.233 20 5 FEBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000293597762 552838830 /nfs/dbraw/zinc/83/88/30/552838830.db2.gz UWRYGFFYUIDMMB-LLVKDONJSA-N 1 2 352.334 2.233 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000295258009 552977155 /nfs/dbraw/zinc/97/71/55/552977155.db2.gz LAZWBPWTEJWCFR-AWEZNQCLSA-N 1 2 364.427 2.409 20 5 FEBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000502376719 561617242 /nfs/dbraw/zinc/61/72/42/561617242.db2.gz VDWNRRXAELRSOU-UHFFFAOYSA-N 1 2 355.280 2.033 20 5 FEBDLO Cc1sc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000298385006 553418938 /nfs/dbraw/zinc/41/89/38/553418938.db2.gz PDTJJEGDXXUZMM-UHFFFAOYSA-N 1 2 362.411 2.126 20 5 FEBDLO NC(=O)c1ccc(CNc2ccccc2C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000298876537 553483999 /nfs/dbraw/zinc/48/39/99/553483999.db2.gz YJCKCHYIADATHW-UHFFFAOYSA-N 1 2 370.409 2.138 20 5 FEBDLO Cc1ccc(N2CC[NH+](CC(=O)NCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000301423788 553650421 /nfs/dbraw/zinc/65/04/21/553650421.db2.gz AXYKJVNGQBUTBR-UHFFFAOYSA-N 1 2 368.437 2.342 20 5 FEBDLO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@@H+]1CCOC ZINC000301490785 553655200 /nfs/dbraw/zinc/65/52/00/553655200.db2.gz BBIYEBTXQANPHZ-LLVKDONJSA-N 1 2 373.251 2.299 20 5 FEBDLO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@H+]1CCOC ZINC000301490785 553655204 /nfs/dbraw/zinc/65/52/04/553655204.db2.gz BBIYEBTXQANPHZ-LLVKDONJSA-N 1 2 373.251 2.299 20 5 FEBDLO Cc1nc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)ccc1[N+](=O)[O-] ZINC000301634701 553667225 /nfs/dbraw/zinc/66/72/25/553667225.db2.gz KJDJMMXANDAXJG-UHFFFAOYSA-N 1 2 352.398 2.268 20 5 FEBDLO Cc1cc([NH+](C)C)ccc1Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302143831 553706833 /nfs/dbraw/zinc/70/68/33/553706833.db2.gz QDNLHVFZBPYXGD-UHFFFAOYSA-N 1 2 350.400 2.360 20 5 FEBDLO Cc1ccc(NCCCNc2nc3c(cnn3C)c(N)[nH+]2)c([N+](=O)[O-])c1 ZINC000302910374 553741578 /nfs/dbraw/zinc/74/15/78/553741578.db2.gz ZAYUJSDNOHZVIU-UHFFFAOYSA-N 1 2 356.390 2.076 20 5 FEBDLO COc1cc(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)cc([N+](=O)[O-])c1OC ZINC000505909000 561684732 /nfs/dbraw/zinc/68/47/32/561684732.db2.gz CCILZIPZUNCJAK-GFCCVEGCSA-N 1 2 374.397 2.424 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330826759 554176270 /nfs/dbraw/zinc/17/62/70/554176270.db2.gz OZNPEPCJAOXXJZ-YGRLFVJLSA-N 1 2 361.320 2.311 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330826759 554176272 /nfs/dbraw/zinc/17/62/72/554176272.db2.gz OZNPEPCJAOXXJZ-YGRLFVJLSA-N 1 2 361.320 2.311 20 5 FEBDLO CC[C@H]1C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@]2(CCOC2)O1 ZINC000331506090 554276626 /nfs/dbraw/zinc/27/66/26/554276626.db2.gz IIMVMIQJBGEDMI-YJBOKZPZSA-N 1 2 363.414 2.112 20 5 FEBDLO CC[C@H]1C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@]2(CCOC2)O1 ZINC000331506090 554276632 /nfs/dbraw/zinc/27/66/32/554276632.db2.gz IIMVMIQJBGEDMI-YJBOKZPZSA-N 1 2 363.414 2.112 20 5 FEBDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000331598798 554291698 /nfs/dbraw/zinc/29/16/98/554291698.db2.gz QHSYWGDVGICSCA-IYOUNJFTSA-N 1 2 363.414 2.192 20 5 FEBDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000331598798 554291702 /nfs/dbraw/zinc/29/17/02/554291702.db2.gz QHSYWGDVGICSCA-IYOUNJFTSA-N 1 2 363.414 2.192 20 5 FEBDLO CCc1n[nH]c(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1[N+](=O)[O-] ZINC000332284681 554417148 /nfs/dbraw/zinc/41/71/48/554417148.db2.gz YSBXMDIEEPHDFL-JTQLQIEISA-N 1 2 360.418 2.119 20 5 FEBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(c3ccnn3CCO)CC2)c(F)c1 ZINC000509887090 561817390 /nfs/dbraw/zinc/81/73/90/561817390.db2.gz RAYWFSKMCOVZDE-UHFFFAOYSA-N 1 2 366.368 2.441 20 5 FEBDLO Cc1cc(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332518025 554461009 /nfs/dbraw/zinc/46/10/09/554461009.db2.gz KUKJUYPQSFJUGI-LSDHHAIUSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1cc(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332518025 554461010 /nfs/dbraw/zinc/46/10/10/554461010.db2.gz KUKJUYPQSFJUGI-LSDHHAIUSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)c1 ZINC000332555491 554470815 /nfs/dbraw/zinc/47/08/15/554470815.db2.gz SMGXILMRAIPXDQ-HIFRSBDPSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)c1 ZINC000332555491 554470816 /nfs/dbraw/zinc/47/08/16/554470816.db2.gz SMGXILMRAIPXDQ-HIFRSBDPSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1ccc(Cc2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)c[nH+]1 ZINC000350984526 554827611 /nfs/dbraw/zinc/82/76/11/554827611.db2.gz ADVGKILSIVJAKJ-UHFFFAOYSA-N 1 2 367.365 2.131 20 5 FEBDLO Cc1nc([C@H]2CCC[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)no1 ZINC000360156203 554865166 /nfs/dbraw/zinc/86/51/66/554865166.db2.gz CMFHKEGMYDECPK-AWEZNQCLSA-N 1 2 371.397 2.055 20 5 FEBDLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)no1 ZINC000360156203 554865167 /nfs/dbraw/zinc/86/51/67/554865167.db2.gz CMFHKEGMYDECPK-AWEZNQCLSA-N 1 2 371.397 2.055 20 5 FEBDLO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362253543 554958311 /nfs/dbraw/zinc/95/83/11/554958311.db2.gz FGVWAXBDMDTYNG-QGZVFWFLSA-N 1 2 350.438 2.334 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000363499347 555121161 /nfs/dbraw/zinc/12/11/61/555121161.db2.gz NMGTZYQQZSQCEE-CQSZACIVSA-N 1 2 360.414 2.010 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000363499347 555121163 /nfs/dbraw/zinc/12/11/63/555121163.db2.gz NMGTZYQQZSQCEE-CQSZACIVSA-N 1 2 360.414 2.010 20 5 FEBDLO Cc1cn2c([nH+]1)CN(C(=O)C1CCN(c3ccccc3[N+](=O)[O-])CC1)CC2 ZINC000363669466 555159959 /nfs/dbraw/zinc/15/99/59/555159959.db2.gz CBSVYNPKQNGJBU-UHFFFAOYSA-N 1 2 369.425 2.359 20 5 FEBDLO O=C(C[N@H+]1CC[C@H](O)c2ccccc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000363775659 555183049 /nfs/dbraw/zinc/18/30/49/555183049.db2.gz KDAFSLUWEAVUCA-IBGZPJMESA-N 1 2 367.405 2.423 20 5 FEBDLO O=C(C[N@@H+]1CC[C@H](O)c2ccccc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000363775659 555183051 /nfs/dbraw/zinc/18/30/51/555183051.db2.gz KDAFSLUWEAVUCA-IBGZPJMESA-N 1 2 367.405 2.423 20 5 FEBDLO COc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc([N+](=O)[O-])c1C ZINC000365058930 555475528 /nfs/dbraw/zinc/47/55/28/555475528.db2.gz QBBQPDRCIBGIEJ-UHFFFAOYSA-N 1 2 367.365 2.423 20 5 FEBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365632479 555627339 /nfs/dbraw/zinc/62/73/39/555627339.db2.gz JUOCDSOPKLFGCL-CYBMUJFWSA-N 1 2 357.414 2.414 20 5 FEBDLO Cn1c[nH+]c2c1CCN(C(=O)c1sc(Br)cc1[N+](=O)[O-])C2 ZINC000365654877 555633241 /nfs/dbraw/zinc/63/32/41/555633241.db2.gz FJKOICSSOHUMEB-UHFFFAOYSA-N 1 2 371.216 2.351 20 5 FEBDLO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365828954 555677187 /nfs/dbraw/zinc/67/71/87/555677187.db2.gz WKUSZBQXSFNERO-UONOGXRCSA-N 1 2 367.358 2.046 20 5 FEBDLO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365828954 555677192 /nfs/dbraw/zinc/67/71/92/555677192.db2.gz WKUSZBQXSFNERO-UONOGXRCSA-N 1 2 367.358 2.046 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000365829798 555677227 /nfs/dbraw/zinc/67/72/27/555677227.db2.gz CIVLPAOPBLZQTM-OLZOCXBDSA-N 1 2 359.386 2.074 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000365829798 555677230 /nfs/dbraw/zinc/67/72/30/555677230.db2.gz CIVLPAOPBLZQTM-OLZOCXBDSA-N 1 2 359.386 2.074 20 5 FEBDLO Cn1ccnc1[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000513662426 561946187 /nfs/dbraw/zinc/94/61/87/561946187.db2.gz VNBDMCIEJWEOBZ-INIZCTEOSA-N 1 2 359.430 2.312 20 5 FEBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000366151482 555766262 /nfs/dbraw/zinc/76/62/62/555766262.db2.gz LCPHTIKMEIDIQV-SECBINFHSA-N 1 2 352.753 2.327 20 5 FEBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000366151482 555766265 /nfs/dbraw/zinc/76/62/65/555766265.db2.gz LCPHTIKMEIDIQV-SECBINFHSA-N 1 2 352.753 2.327 20 5 FEBDLO O=C(C1CC1)[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000514215959 561964070 /nfs/dbraw/zinc/96/40/70/561964070.db2.gz XWOWPJAJLGAYEL-KRWDZBQOSA-N 1 2 371.393 2.472 20 5 FEBDLO O=C(C1CC1)[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000514215959 561964072 /nfs/dbraw/zinc/96/40/72/561964072.db2.gz XWOWPJAJLGAYEL-KRWDZBQOSA-N 1 2 371.393 2.472 20 5 FEBDLO CCCC(=O)N1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000369120016 556509870 /nfs/dbraw/zinc/50/98/70/556509870.db2.gz ZFNDIYKMTCXGAE-KRWDZBQOSA-N 1 2 374.441 2.035 20 5 FEBDLO CCCC(=O)N1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000369120016 556509873 /nfs/dbraw/zinc/50/98/73/556509873.db2.gz ZFNDIYKMTCXGAE-KRWDZBQOSA-N 1 2 374.441 2.035 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000369349983 556576371 /nfs/dbraw/zinc/57/63/71/556576371.db2.gz PUUOMPDBVLFSCN-CYBMUJFWSA-N 1 2 364.427 2.205 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CN2CCCC2=O)CC1 ZINC000369812044 556701740 /nfs/dbraw/zinc/70/17/40/556701740.db2.gz YZKRGSFUXIJJEW-AWEZNQCLSA-N 1 2 374.441 2.256 20 5 FEBDLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000370349427 556847031 /nfs/dbraw/zinc/84/70/31/556847031.db2.gz QIWJGXBCEJUAGO-HZPDHXFCSA-N 1 2 352.387 2.016 20 5 FEBDLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000370349427 556847032 /nfs/dbraw/zinc/84/70/32/556847032.db2.gz QIWJGXBCEJUAGO-HZPDHXFCSA-N 1 2 352.387 2.016 20 5 FEBDLO O=C(c1ccco1)N1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000371007925 557043724 /nfs/dbraw/zinc/04/37/24/557043724.db2.gz WRHQIQOASINKQL-MRXNPFEDSA-N 1 2 359.382 2.069 20 5 FEBDLO O=C(c1ccco1)N1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000371007925 557043728 /nfs/dbraw/zinc/04/37/28/557043728.db2.gz WRHQIQOASINKQL-MRXNPFEDSA-N 1 2 359.382 2.069 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c1 ZINC000371390368 557170852 /nfs/dbraw/zinc/17/08/52/557170852.db2.gz WLXYGVHKZRRXOL-OAHLLOKOSA-N 1 2 368.340 2.466 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c1 ZINC000371390368 557170853 /nfs/dbraw/zinc/17/08/53/557170853.db2.gz WLXYGVHKZRRXOL-OAHLLOKOSA-N 1 2 368.340 2.466 20 5 FEBDLO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000371589409 557232124 /nfs/dbraw/zinc/23/21/24/557232124.db2.gz SYFJNGLAFNPGAP-KRWDZBQOSA-N 1 2 369.381 2.217 20 5 FEBDLO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000371589409 557232125 /nfs/dbraw/zinc/23/21/25/557232125.db2.gz SYFJNGLAFNPGAP-KRWDZBQOSA-N 1 2 369.381 2.217 20 5 FEBDLO CC(C)n1cc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)cn1 ZINC000372014194 557356971 /nfs/dbraw/zinc/35/69/71/557356971.db2.gz VLUDRRABENUXRT-UHFFFAOYSA-N 1 2 372.429 2.115 20 5 FEBDLO CC(C)n1cc(C[N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)cn1 ZINC000372014194 557356972 /nfs/dbraw/zinc/35/69/72/557356972.db2.gz VLUDRRABENUXRT-UHFFFAOYSA-N 1 2 372.429 2.115 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1)CCC2 ZINC000373843603 557771268 /nfs/dbraw/zinc/77/12/68/557771268.db2.gz LZWKCEDQZVEHLW-AWEZNQCLSA-N 1 2 358.398 2.481 20 5 FEBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000374749049 557925007 /nfs/dbraw/zinc/92/50/07/557925007.db2.gz BXYXDQKYGUUYKK-CQSZACIVSA-N 1 2 350.400 2.027 20 5 FEBDLO Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000375348808 558013339 /nfs/dbraw/zinc/01/33/39/558013339.db2.gz UBNOIPVBIOBCCV-CXAGYDPISA-N 1 2 366.381 2.308 20 5 FEBDLO O=C(NC1CC[NH+](CCc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000375377656 558017647 /nfs/dbraw/zinc/01/76/47/558017647.db2.gz GOFDFMWXFSRIHB-UHFFFAOYSA-N 1 2 370.409 2.132 20 5 FEBDLO Cc1nc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC000375756588 558077851 /nfs/dbraw/zinc/07/78/51/558077851.db2.gz HZWYIMSZMNGFEP-YPMHNXCESA-N 1 2 359.386 2.493 20 5 FEBDLO Cc1nc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC000375756588 558077854 /nfs/dbraw/zinc/07/78/54/558077854.db2.gz HZWYIMSZMNGFEP-YPMHNXCESA-N 1 2 359.386 2.493 20 5 FEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000375898732 558096046 /nfs/dbraw/zinc/09/60/46/558096046.db2.gz WRACYEZSZATBIF-IAQYHMDHSA-N 1 2 353.806 2.183 20 5 FEBDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@]2(CCOC2)O1 ZINC000376005904 558112636 /nfs/dbraw/zinc/11/26/36/558112636.db2.gz HZNZJMDIWFNVKI-YJBOKZPZSA-N 1 2 363.414 2.112 20 5 FEBDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@]2(CCOC2)O1 ZINC000376005904 558112637 /nfs/dbraw/zinc/11/26/37/558112637.db2.gz HZNZJMDIWFNVKI-YJBOKZPZSA-N 1 2 363.414 2.112 20 5 FEBDLO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378522646 558574577 /nfs/dbraw/zinc/57/45/77/558574577.db2.gz YANOAFLZWAWLNV-HNNXBMFYSA-N 1 2 352.354 2.481 20 5 FEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000408040405 558641086 /nfs/dbraw/zinc/64/10/86/558641086.db2.gz GNUYNDBTYGQQTF-KBPBESRZSA-N 1 2 355.460 2.315 20 5 FEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000408040405 558641087 /nfs/dbraw/zinc/64/10/87/558641087.db2.gz GNUYNDBTYGQQTF-KBPBESRZSA-N 1 2 355.460 2.315 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000408181821 558654037 /nfs/dbraw/zinc/65/40/37/558654037.db2.gz GKWRPLWDUDYOJH-KBPBESRZSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000408181821 558654039 /nfs/dbraw/zinc/65/40/39/558654039.db2.gz GKWRPLWDUDYOJH-KBPBESRZSA-N 1 2 353.444 2.151 20 5 FEBDLO Cc1c(F)cc(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000408306356 558665475 /nfs/dbraw/zinc/66/54/75/558665475.db2.gz CPHZNOSSGPLFQR-AAEUAGOBSA-N 1 2 371.434 2.290 20 5 FEBDLO Cc1c(F)cc(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000408306356 558665476 /nfs/dbraw/zinc/66/54/76/558665476.db2.gz CPHZNOSSGPLFQR-AAEUAGOBSA-N 1 2 371.434 2.290 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c1C ZINC000408338613 558668263 /nfs/dbraw/zinc/66/82/63/558668263.db2.gz LMJUOCWEUGAORB-DZGCQCFKSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)c1C ZINC000408338613 558668265 /nfs/dbraw/zinc/66/82/65/558668265.db2.gz LMJUOCWEUGAORB-DZGCQCFKSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000408340691 558668698 /nfs/dbraw/zinc/66/86/98/558668698.db2.gz PCOPYNVRTUZWAU-HUUCEWRRSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000408340691 558668701 /nfs/dbraw/zinc/66/87/01/558668701.db2.gz PCOPYNVRTUZWAU-HUUCEWRRSA-N 1 2 367.471 2.459 20 5 FEBDLO Cc1noc(C)c1CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000410038016 558734522 /nfs/dbraw/zinc/73/45/22/558734522.db2.gz LNQAZSUWDXJNTR-UHFFFAOYSA-N 1 2 355.354 2.358 20 5 FEBDLO CCCNC(=O)C[N@H+](CCC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000411183962 558850117 /nfs/dbraw/zinc/85/01/17/558850117.db2.gz SSAXQNXZNIQBFF-CQSZACIVSA-N 1 2 364.446 2.468 20 5 FEBDLO CCCNC(=O)C[N@@H+](CCC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000411183962 558850119 /nfs/dbraw/zinc/85/01/19/558850119.db2.gz SSAXQNXZNIQBFF-CQSZACIVSA-N 1 2 364.446 2.468 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)CCC2 ZINC000411314681 558874990 /nfs/dbraw/zinc/87/49/90/558874990.db2.gz FNNCOCYQFQHAQG-ZDUSSCGKSA-N 1 2 371.397 2.040 20 5 FEBDLO Cc1nnc([C@@H]2CC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)[nH]1 ZINC000412027456 559003767 /nfs/dbraw/zinc/00/37/67/559003767.db2.gz LVZMVCZBZYOLNB-GFCCVEGCSA-N 1 2 355.358 2.061 20 5 FEBDLO Cc1nnc([C@@H]2CC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)[nH]1 ZINC000412027456 559003768 /nfs/dbraw/zinc/00/37/68/559003768.db2.gz LVZMVCZBZYOLNB-GFCCVEGCSA-N 1 2 355.358 2.061 20 5 FEBDLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)n1 ZINC000412027456 559003769 /nfs/dbraw/zinc/00/37/69/559003769.db2.gz LVZMVCZBZYOLNB-GFCCVEGCSA-N 1 2 355.358 2.061 20 5 FEBDLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)n1 ZINC000412027456 559003770 /nfs/dbraw/zinc/00/37/70/559003770.db2.gz LVZMVCZBZYOLNB-GFCCVEGCSA-N 1 2 355.358 2.061 20 5 FEBDLO Cc1nc([C@@H]2CC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)n[nH]1 ZINC000412027456 559003771 /nfs/dbraw/zinc/00/37/71/559003771.db2.gz LVZMVCZBZYOLNB-GFCCVEGCSA-N 1 2 355.358 2.061 20 5 FEBDLO Cc1nc([C@@H]2CC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)n[nH]1 ZINC000412027456 559003772 /nfs/dbraw/zinc/00/37/72/559003772.db2.gz LVZMVCZBZYOLNB-GFCCVEGCSA-N 1 2 355.358 2.061 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(CC(=O)NCc2[nH+]ccn2CC(C)C)c1F ZINC000412130650 559016275 /nfs/dbraw/zinc/01/62/75/559016275.db2.gz OLJXVIDNEIKQLP-UHFFFAOYSA-N 1 2 364.377 2.454 20 5 FEBDLO CS(=O)(=O)N1CCC(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413112753 559079239 /nfs/dbraw/zinc/07/92/39/559079239.db2.gz XWYYSAKRFBZBHT-UHFFFAOYSA-N 1 2 364.427 2.227 20 5 FEBDLO CC(C)(CNc1nccc2ccc([N+](=O)[O-])cc21)[NH+]1CCS(=O)CC1 ZINC000413155004 559083588 /nfs/dbraw/zinc/08/35/88/559083588.db2.gz OWYBJRPZKYTCDT-UHFFFAOYSA-N 1 2 362.455 2.398 20 5 FEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413955299 559143124 /nfs/dbraw/zinc/14/31/24/559143124.db2.gz KABSMYVKVUNSBO-MRXNPFEDSA-N 1 2 363.458 2.391 20 5 FEBDLO CN(C)C(=O)c1ccccc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418084884 559389578 /nfs/dbraw/zinc/38/95/78/559389578.db2.gz SBSLTFSHRWKTJU-UHFFFAOYSA-N 1 2 369.425 2.014 20 5 FEBDLO C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C(=O)OC(C)(C)C ZINC000425521059 559707610 /nfs/dbraw/zinc/70/76/10/559707610.db2.gz JIGQTXRTANMXCR-CZUORRHYSA-N 1 2 365.430 2.199 20 5 FEBDLO C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C(=O)OC(C)(C)C ZINC000425521059 559707611 /nfs/dbraw/zinc/70/76/11/559707611.db2.gz JIGQTXRTANMXCR-CZUORRHYSA-N 1 2 365.430 2.199 20 5 FEBDLO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000428545814 559777919 /nfs/dbraw/zinc/77/79/19/559777919.db2.gz LCLLGVJIGINBMY-CQSZACIVSA-N 1 2 357.366 2.119 20 5 FEBDLO O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000428545814 559777920 /nfs/dbraw/zinc/77/79/20/559777920.db2.gz LCLLGVJIGINBMY-CQSZACIVSA-N 1 2 357.366 2.119 20 5 FEBDLO CC(C)n1cnnc1C[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000429283933 559794954 /nfs/dbraw/zinc/79/49/54/559794954.db2.gz KLGBBJZQUCXFPF-UHFFFAOYSA-N 1 2 374.401 2.197 20 5 FEBDLO CC(C)n1cnnc1C[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000429283933 559794955 /nfs/dbraw/zinc/79/49/55/559794955.db2.gz KLGBBJZQUCXFPF-UHFFFAOYSA-N 1 2 374.401 2.197 20 5 FEBDLO CCN1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000433464244 559882190 /nfs/dbraw/zinc/88/21/90/559882190.db2.gz BUOGOYBOBRTFLX-MRXNPFEDSA-N 1 2 372.429 2.025 20 5 FEBDLO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436737218 559950625 /nfs/dbraw/zinc/95/06/25/559950625.db2.gz PQNJFIMWEVPWKB-MRXNPFEDSA-N 1 2 359.382 2.342 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000439907539 560001855 /nfs/dbraw/zinc/00/18/55/560001855.db2.gz BJPKIUBJVJHPLQ-UHFFFAOYSA-N 1 2 374.401 2.066 20 5 FEBDLO CCOc1ccccc1CN1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000441354294 560029474 /nfs/dbraw/zinc/02/94/74/560029474.db2.gz MTUDCWOONDFEAU-MRXNPFEDSA-N 1 2 373.457 2.396 20 5 FEBDLO CCOc1ccccc1CN1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000441354294 560029475 /nfs/dbraw/zinc/02/94/75/560029475.db2.gz MTUDCWOONDFEAU-MRXNPFEDSA-N 1 2 373.457 2.396 20 5 FEBDLO CCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1c1[nH]cc[nH+]1 ZINC000444918831 560124764 /nfs/dbraw/zinc/12/47/64/560124764.db2.gz GQMJMWBIMAPGPG-AWEZNQCLSA-N 1 2 374.401 2.237 20 5 FEBDLO NC(=O)c1cccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])c1 ZINC000447811538 560169670 /nfs/dbraw/zinc/16/96/70/560169670.db2.gz GBTFIWHKCBVCMQ-UHFFFAOYSA-N 1 2 370.409 2.138 20 5 FEBDLO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000447941223 560174119 /nfs/dbraw/zinc/17/41/19/560174119.db2.gz JZNRNMBPOYYNJV-CYBMUJFWSA-N 1 2 359.423 2.133 20 5 FEBDLO C[N@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000447941223 560174120 /nfs/dbraw/zinc/17/41/20/560174120.db2.gz JZNRNMBPOYYNJV-CYBMUJFWSA-N 1 2 359.423 2.133 20 5 FEBDLO CC[C@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OC ZINC000448654906 560193067 /nfs/dbraw/zinc/19/30/67/560193067.db2.gz GECUUCKFMZRVHI-NHYWBVRUSA-N 1 2 360.370 2.098 20 5 FEBDLO CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)[C@H]1C[NH+]2CCC1CC2 ZINC000448957558 560208718 /nfs/dbraw/zinc/20/87/18/560208718.db2.gz WJVPVPZWNQOLNS-KRWDZBQOSA-N 1 2 355.398 2.151 20 5 FEBDLO CCCN(CC(=O)OCC)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448974164 560209698 /nfs/dbraw/zinc/20/96/98/560209698.db2.gz ANDDMPLJXQAJGK-UHFFFAOYSA-N 1 2 360.370 2.196 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000450196547 560253578 /nfs/dbraw/zinc/25/35/78/560253578.db2.gz NFWSOUUCRNKMPH-LSDHHAIUSA-N 1 2 356.382 2.279 20 5 FEBDLO CCC(CC)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OC ZINC000450205290 560253930 /nfs/dbraw/zinc/25/39/30/560253930.db2.gz YSPJMHDLLPHJBG-UHFFFAOYSA-N 1 2 374.397 2.490 20 5 FEBDLO COC(=O)C(C)(C)[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450456317 560262763 /nfs/dbraw/zinc/26/27/63/560262763.db2.gz XAPVFZINADZAJJ-UHFFFAOYSA-N 1 2 358.398 2.217 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccn(CC(F)(F)F)n3)C2)nc1 ZINC000450573866 560266642 /nfs/dbraw/zinc/26/66/42/560266642.db2.gz YHBLSHHACAWWMD-LLVKDONJSA-N 1 2 370.335 2.435 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccn(CC(F)(F)F)n3)C2)nc1 ZINC000450573866 560266643 /nfs/dbraw/zinc/26/66/43/560266643.db2.gz YHBLSHHACAWWMD-LLVKDONJSA-N 1 2 370.335 2.435 20 5 FEBDLO CO[C@H]1COCC[C@@H]1CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450687865 560270166 /nfs/dbraw/zinc/27/01/66/560270166.db2.gz BMRHVRWWYMDDLT-ZBFHGGJFSA-N 1 2 358.398 2.246 20 5 FEBDLO C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450755326 560272228 /nfs/dbraw/zinc/27/22/28/560272228.db2.gz BAVBDSROUMJFQY-LBPRGKRZSA-N 1 2 373.413 2.156 20 5 FEBDLO COC(=O)[C@H]1C[C@H](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451004250 560282025 /nfs/dbraw/zinc/28/20/25/560282025.db2.gz VNEAIQULMHIBOD-MLGOLLRUSA-N 1 2 372.381 2.194 20 5 FEBDLO CO[C@H](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000451078504 560285898 /nfs/dbraw/zinc/28/58/98/560285898.db2.gz FFWQGHKOWLZMKN-CYBMUJFWSA-N 1 2 372.303 2.478 20 5 FEBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCOC[C@@H](O)C2)cc1OC ZINC000451231434 560294584 /nfs/dbraw/zinc/29/45/84/560294584.db2.gz CRBIKPSTORNSAU-HIFRSBDPSA-N 1 2 368.430 2.221 20 5 FEBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCOC[C@@H](O)C2)cc1OC ZINC000451231434 560294585 /nfs/dbraw/zinc/29/45/85/560294585.db2.gz CRBIKPSTORNSAU-HIFRSBDPSA-N 1 2 368.430 2.221 20 5 FEBDLO CC(C)[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC[N@@H+]1C ZINC000451381125 560303560 /nfs/dbraw/zinc/30/35/60/560303560.db2.gz YZCOOIIDJLMRRO-QGZVFWFLSA-N 1 2 357.414 2.397 20 5 FEBDLO CC(C)[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC[N@H+]1C ZINC000451381125 560303561 /nfs/dbraw/zinc/30/35/61/560303561.db2.gz YZCOOIIDJLMRRO-QGZVFWFLSA-N 1 2 357.414 2.397 20 5 FEBDLO Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451516701 560311459 /nfs/dbraw/zinc/31/14/59/560311459.db2.gz GZLKYTFHLLTEFR-AWEZNQCLSA-N 1 2 366.381 2.321 20 5 FEBDLO COc1cc(S(=O)(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)ccc1[N+](=O)[O-] ZINC000451549591 560314200 /nfs/dbraw/zinc/31/42/00/560314200.db2.gz POHXSAJJOHHIGD-CYBMUJFWSA-N 1 2 354.388 2.002 20 5 FEBDLO COc1ccc(OCC[N@@H+]2CC[S@@](=O)C(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000451756156 560326663 /nfs/dbraw/zinc/32/66/63/560326663.db2.gz LUEQYPWHCNMTHM-XMMPIXPASA-N 1 2 356.444 2.215 20 5 FEBDLO COc1ccc(OCC[N@H+]2CC[S@@](=O)C(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000451756156 560326664 /nfs/dbraw/zinc/32/66/64/560326664.db2.gz LUEQYPWHCNMTHM-XMMPIXPASA-N 1 2 356.444 2.215 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451884228 560334563 /nfs/dbraw/zinc/33/45/63/560334563.db2.gz FHGVPSCLSFZFBR-YGRLFVJLSA-N 1 2 361.320 2.087 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451884228 560334564 /nfs/dbraw/zinc/33/45/64/560334564.db2.gz FHGVPSCLSFZFBR-YGRLFVJLSA-N 1 2 361.320 2.087 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1C ZINC000451932671 560338756 /nfs/dbraw/zinc/33/87/56/560338756.db2.gz ASYKHYGPUQSOQA-PWSUYJOCSA-N 1 2 350.400 2.392 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1[N+](=O)[O-] ZINC000451947008 560340065 /nfs/dbraw/zinc/34/00/65/560340065.db2.gz OECIBYNYKLWOJO-NEPJUHHUSA-N 1 2 350.400 2.392 20 5 FEBDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000451969033 560341226 /nfs/dbraw/zinc/34/12/26/560341226.db2.gz KCDFHLUOSDYVJR-LLVKDONJSA-N 1 2 361.851 2.353 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000453986186 560419591 /nfs/dbraw/zinc/41/95/91/560419591.db2.gz VTVPJXJGXYVCAW-JQWIXIFHSA-N 1 2 357.370 2.169 20 5 FEBDLO C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c2[nH+]ccn21 ZINC000455489890 560484307 /nfs/dbraw/zinc/48/43/07/560484307.db2.gz TYEJPHVHWCMAGP-KGLIPLIRSA-N 1 2 370.413 2.329 20 5 FEBDLO CCOC(=O)c1cc(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc([N+](=O)[O-])c1 ZINC000456401041 560519344 /nfs/dbraw/zinc/51/93/44/560519344.db2.gz VNTUTPVEOGQTHN-IINYFYTJSA-N 1 2 358.354 2.404 20 5 FEBDLO Cc1c(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000456404123 560519475 /nfs/dbraw/zinc/51/94/75/560519475.db2.gz WYWCPCAKZHWFDR-HZMBPMFUSA-N 1 2 367.369 2.116 20 5 FEBDLO C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c2[nH+]ccn21 ZINC000456435027 560520499 /nfs/dbraw/zinc/52/04/99/560520499.db2.gz VDXDOADLAFHTFP-GXTWGEPZSA-N 1 2 371.397 2.064 20 5 FEBDLO COC(=O)c1cccc2c1CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000459541512 560692952 /nfs/dbraw/zinc/69/29/52/560692952.db2.gz GFWHMYPEMUFYCM-UHFFFAOYSA-N 1 2 369.377 2.039 20 5 FEBDLO COC(=O)c1cccc2c1CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000459541512 560692953 /nfs/dbraw/zinc/69/29/53/560692953.db2.gz GFWHMYPEMUFYCM-UHFFFAOYSA-N 1 2 369.377 2.039 20 5 FEBDLO COCC(=O)NC1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000459616333 560698093 /nfs/dbraw/zinc/69/80/93/560698093.db2.gz JXNPQFULISTGSM-UHFFFAOYSA-N 1 2 361.423 2.270 20 5 FEBDLO O=C(Nc1cccc2[nH+]ccn21)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000460337148 560741918 /nfs/dbraw/zinc/74/19/18/560741918.db2.gz WHLZKOCWUXRYEW-LLVKDONJSA-N 1 2 369.337 2.079 20 5 FEBDLO C/C=C\C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OCC ZINC000463417609 560813621 /nfs/dbraw/zinc/81/36/21/560813621.db2.gz PDSPMZZBHZTXPR-PKXJPQMGSA-N 1 2 372.381 2.408 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000464025478 560831362 /nfs/dbraw/zinc/83/13/62/560831362.db2.gz DUNGAIVIIBQWSP-UHFFFAOYSA-N 1 2 371.397 2.279 20 5 FEBDLO Cc1sc(S(=O)(=O)NCc2cn3ccc(C)cc3[nH+]2)cc1[N+](=O)[O-] ZINC000467405667 560909649 /nfs/dbraw/zinc/90/96/49/560909649.db2.gz NQYZELXHQOOWNR-UHFFFAOYSA-N 1 2 366.424 2.399 20 5 FEBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000470139021 560975063 /nfs/dbraw/zinc/97/50/63/560975063.db2.gz WMVJTLSFJLCPJS-UHFFFAOYSA-N 1 2 359.361 2.479 20 5 FEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000470159336 560975684 /nfs/dbraw/zinc/97/56/84/560975684.db2.gz FLYUHAJYXLRFOW-MRXNPFEDSA-N 1 2 361.442 2.145 20 5 FEBDLO CCn1ncnc1C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000475555968 561099842 /nfs/dbraw/zinc/09/98/42/561099842.db2.gz SETVKWUAAGXWSA-UHFFFAOYSA-N 1 2 371.344 2.149 20 5 FEBDLO CCC[C@@H]1C[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCO1 ZINC000475704659 561102625 /nfs/dbraw/zinc/10/26/25/561102625.db2.gz HYCCUIIGRAZZBD-CQSZACIVSA-N 1 2 352.387 2.148 20 5 FEBDLO CCC[C@@H]1C[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCO1 ZINC000475704659 561102626 /nfs/dbraw/zinc/10/26/26/561102626.db2.gz HYCCUIIGRAZZBD-CQSZACIVSA-N 1 2 352.387 2.148 20 5 FEBDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000475874946 561107034 /nfs/dbraw/zinc/10/70/34/561107034.db2.gz GDGHUULDBZJEAU-LBPRGKRZSA-N 1 2 365.384 2.485 20 5 FEBDLO C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000530466008 562412261 /nfs/dbraw/zinc/41/22/61/562412261.db2.gz BTYLYXHOQPNGJJ-ZWNOBZJWSA-N 1 2 362.411 2.112 20 5 FEBDLO C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000530466008 562412262 /nfs/dbraw/zinc/41/22/62/562412262.db2.gz BTYLYXHOQPNGJJ-ZWNOBZJWSA-N 1 2 362.411 2.112 20 5 FEBDLO Cc1ccc(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000532285234 562472770 /nfs/dbraw/zinc/47/27/70/562472770.db2.gz VDOFYYZVGQGUEV-UHFFFAOYSA-N 1 2 357.370 2.045 20 5 FEBDLO Cc1cccn2c(C[NH+]3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cnc12 ZINC000535072409 562550390 /nfs/dbraw/zinc/55/03/90/562550390.db2.gz ZLRRUYZSBADKTK-UHFFFAOYSA-N 1 2 352.398 2.268 20 5 FEBDLO Cc1cccn2c(CN3CCN(c4ccc([N+](=O)[O-])nc4)CC3)c[nH+]c12 ZINC000535072409 562550391 /nfs/dbraw/zinc/55/03/91/562550391.db2.gz ZLRRUYZSBADKTK-UHFFFAOYSA-N 1 2 352.398 2.268 20 5 FEBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000536969571 562583316 /nfs/dbraw/zinc/58/33/16/562583316.db2.gz PMTZYQAFBMZZQS-UHFFFAOYSA-N 1 2 366.333 2.439 20 5 FEBDLO Cc1cc[nH+]cc1N1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000541089363 562602780 /nfs/dbraw/zinc/60/27/80/562602780.db2.gz UFHYMRRSVGNIDN-UHFFFAOYSA-N 1 2 366.381 2.274 20 5 FEBDLO CCOc1cc(N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)ccc1[N+](=O)[O-] ZINC000541190367 562605493 /nfs/dbraw/zinc/60/54/93/562605493.db2.gz KRGIQLCAIGIVJJ-AWEZNQCLSA-N 1 2 373.413 2.330 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CO)c1c(F)cccc1F ZINC000541955942 562624482 /nfs/dbraw/zinc/62/44/82/562624482.db2.gz YIHSPTRPIDKJFC-OAHLLOKOSA-N 1 2 365.336 2.443 20 5 FEBDLO CC[N@H+](CCOCCO)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602652489 568005581 /nfs/dbraw/zinc/00/55/81/568005581.db2.gz LWRQETLSKYEUCP-UHFFFAOYSA-N 1 2 353.238 2.250 20 5 FEBDLO CC[N@@H+](CCOCCO)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602652489 568005582 /nfs/dbraw/zinc/00/55/82/568005582.db2.gz LWRQETLSKYEUCP-UHFFFAOYSA-N 1 2 353.238 2.250 20 5 FEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000815045908 674906906 /nfs/dbraw/zinc/90/69/06/674906906.db2.gz WOIBKQGAWWDSLR-VIFPVBQESA-N 1 2 365.814 2.102 20 5 FEBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000815045908 674906907 /nfs/dbraw/zinc/90/69/07/674906907.db2.gz WOIBKQGAWWDSLR-VIFPVBQESA-N 1 2 365.814 2.102 20 5 FEBDLO C[C@H](CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[S@](C)=O ZINC000581087422 671862159 /nfs/dbraw/zinc/86/21/59/671862159.db2.gz LXHRWACCKGEWSN-VQGQKXPLSA-N 1 2 350.444 2.164 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000582085691 671966486 /nfs/dbraw/zinc/96/64/86/671966486.db2.gz SFQPIRWWZHPEMH-SNVBAGLBSA-N 1 2 350.325 2.165 20 5 FEBDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000122510613 671967607 /nfs/dbraw/zinc/96/76/07/671967607.db2.gz DQJOFEGQGVJNCH-CHWSQXEVSA-N 1 2 353.423 2.374 20 5 FEBDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000122510613 671967611 /nfs/dbraw/zinc/96/76/11/671967611.db2.gz DQJOFEGQGVJNCH-CHWSQXEVSA-N 1 2 353.423 2.374 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594485309 673088987 /nfs/dbraw/zinc/08/89/87/673088987.db2.gz ZSOHODIRYQIUJG-OLZOCXBDSA-N 1 2 357.407 2.029 20 5 FEBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594485309 673088991 /nfs/dbraw/zinc/08/89/91/673088991.db2.gz ZSOHODIRYQIUJG-OLZOCXBDSA-N 1 2 357.407 2.029 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000596868525 673420979 /nfs/dbraw/zinc/42/09/79/673420979.db2.gz ZZGXOJIEMZXZBA-ZIAGYGMSSA-N 1 2 350.419 2.442 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000596868525 673420980 /nfs/dbraw/zinc/42/09/80/673420980.db2.gz ZZGXOJIEMZXZBA-ZIAGYGMSSA-N 1 2 350.419 2.442 20 5 FEBDLO CSc1cccc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000597993280 673527727 /nfs/dbraw/zinc/52/77/27/673527727.db2.gz FOTZONYEDXVVNA-VXGBXAGGSA-N 1 2 353.444 2.156 20 5 FEBDLO CSc1cccc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000597993280 673527730 /nfs/dbraw/zinc/52/77/30/673527730.db2.gz FOTZONYEDXVVNA-VXGBXAGGSA-N 1 2 353.444 2.156 20 5 FEBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000741148205 673673184 /nfs/dbraw/zinc/67/31/84/673673184.db2.gz YRUKICGKHIJWTC-CYBMUJFWSA-N 1 2 355.778 2.214 20 5 FEBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000741148205 673673185 /nfs/dbraw/zinc/67/31/85/673673185.db2.gz YRUKICGKHIJWTC-CYBMUJFWSA-N 1 2 355.778 2.214 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)[S@]4=O)o2)cc1 ZINC000599631949 673699379 /nfs/dbraw/zinc/69/93/79/673699379.db2.gz JZQORRBXABMUQX-JXQWACKNSA-N 1 2 362.411 2.130 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[S@]4=O)o2)cc1 ZINC000599631949 673699382 /nfs/dbraw/zinc/69/93/82/673699382.db2.gz JZQORRBXABMUQX-JXQWACKNSA-N 1 2 362.411 2.130 20 5 FEBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599785072 673717000 /nfs/dbraw/zinc/71/70/00/673717000.db2.gz WXLMHHYYBRKYJJ-SECBINFHSA-N 1 2 365.187 2.299 20 5 FEBDLO CSc1cccc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000614456130 676175947 /nfs/dbraw/zinc/17/59/47/676175947.db2.gz BHRBEYKLPZWKMR-ZDUSSCGKSA-N 1 2 365.455 2.254 20 5 FEBDLO C[C@H]1C[NH+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H](C)S1 ZINC000743375063 673757297 /nfs/dbraw/zinc/75/72/97/673757297.db2.gz FVAOMWQUQJLCRO-RYUDHWBXSA-N 1 2 364.427 2.147 20 5 FEBDLO CC1(C)CN=C(N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)S1 ZINC000746459375 673879074 /nfs/dbraw/zinc/87/90/74/673879074.db2.gz DGXSZUKFDZQWJE-UHFFFAOYSA-N 1 2 364.471 2.473 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000616415086 676249139 /nfs/dbraw/zinc/24/91/39/676249139.db2.gz RYDPQNJPUVYOEL-AWEZNQCLSA-N 1 2 364.427 2.434 20 5 FEBDLO C[C@H]1CC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000840051947 680795310 /nfs/dbraw/zinc/79/53/10/680795310.db2.gz APKPEQZWVDHLPV-LRDDRELGSA-N 1 2 351.428 2.317 20 5 FEBDLO C[C@H]1CC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000840051947 680795311 /nfs/dbraw/zinc/79/53/11/680795311.db2.gz APKPEQZWVDHLPV-LRDDRELGSA-N 1 2 351.428 2.317 20 5 FEBDLO COc1cccc(Cl)c1C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000981136667 680217169 /nfs/dbraw/zinc/21/71/69/680217169.db2.gz DFGPVTREUCHWOV-IUODEOHRSA-N 1 2 367.833 2.048 20 5 FEBDLO COc1cccc(Cl)c1C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000981136667 680217170 /nfs/dbraw/zinc/21/71/70/680217170.db2.gz DFGPVTREUCHWOV-IUODEOHRSA-N 1 2 367.833 2.048 20 5 FEBDLO O=C(NCC1=CC[N@H+](Cc2ccc(Cl)s2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000669024 680436886 /nfs/dbraw/zinc/43/68/86/680436886.db2.gz GQMILTGEFGQQQW-CHWSQXEVSA-N 1 2 355.847 2.315 20 5 FEBDLO O=C(NCC1=CC[N@@H+](Cc2ccc(Cl)s2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000669024 680436888 /nfs/dbraw/zinc/43/68/88/680436888.db2.gz GQMILTGEFGQQQW-CHWSQXEVSA-N 1 2 355.847 2.315 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1Cl ZINC000836634373 680492782 /nfs/dbraw/zinc/49/27/82/680492782.db2.gz MMLPIFYEHXIYNR-VXGBXAGGSA-N 1 2 355.822 2.396 20 5 FEBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000874707476 685449921 /nfs/dbraw/zinc/44/99/21/685449921.db2.gz LRRZRSQIQPUFRZ-QWHCGFSZSA-N 1 2 353.394 2.064 20 5 FEBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000874707476 685449925 /nfs/dbraw/zinc/44/99/25/685449925.db2.gz LRRZRSQIQPUFRZ-QWHCGFSZSA-N 1 2 353.394 2.064 20 5 FEBDLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000852443640 682279903 /nfs/dbraw/zinc/27/99/03/682279903.db2.gz PXWVVYXNVPEECD-NSHDSACASA-N 1 2 370.203 2.384 20 5 FEBDLO O=C1OCCN1[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000852443640 682279906 /nfs/dbraw/zinc/27/99/06/682279906.db2.gz PXWVVYXNVPEECD-NSHDSACASA-N 1 2 370.203 2.384 20 5 FEBDLO COc1ccc(CC(N)=[NH+]OCc2onc(C)c2[N+](=O)[O-])cc1OC ZINC000853658684 682453473 /nfs/dbraw/zinc/45/34/73/682453473.db2.gz SGCVUAQEAAFRNJ-UHFFFAOYSA-N 1 2 350.331 2.150 20 5 FEBDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000854185211 682522284 /nfs/dbraw/zinc/52/22/84/682522284.db2.gz RPDOWAATOMNMFX-GHMZBOCLSA-N 1 2 356.810 2.479 20 5 FEBDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000854185211 682522286 /nfs/dbraw/zinc/52/22/86/682522286.db2.gz RPDOWAATOMNMFX-GHMZBOCLSA-N 1 2 356.810 2.479 20 5 FEBDLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000859556020 683128263 /nfs/dbraw/zinc/12/82/63/683128263.db2.gz BTKVAKMORWDTSW-CQSZACIVSA-N 1 2 373.203 2.121 20 5 FEBDLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000859556020 683128267 /nfs/dbraw/zinc/12/82/67/683128267.db2.gz BTKVAKMORWDTSW-CQSZACIVSA-N 1 2 373.203 2.121 20 5 FEBDLO CO[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCSC1 ZINC000928495219 683461578 /nfs/dbraw/zinc/46/15/78/683461578.db2.gz MSESSNGNERAWBC-INIZCTEOSA-N 1 2 362.411 2.032 20 5 FEBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000875625276 686051330 /nfs/dbraw/zinc/05/13/30/686051330.db2.gz GUONOWFJTOJUCP-DZGCQCFKSA-N 1 2 350.419 2.066 20 5 FEBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000875625276 686051335 /nfs/dbraw/zinc/05/13/35/686051335.db2.gz GUONOWFJTOJUCP-DZGCQCFKSA-N 1 2 350.419 2.066 20 5 FEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000888288071 688578247 /nfs/dbraw/zinc/57/82/47/688578247.db2.gz AUJQJCUYRQLDQU-GFCCVEGCSA-N 1 2 369.853 2.314 20 5 FEBDLO C[N@@H+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC000895101160 689661246 /nfs/dbraw/zinc/66/12/46/689661246.db2.gz ZYCHVZPDIKXNBN-HNNXBMFYSA-N 1 2 355.460 2.165 20 5 FEBDLO C[N@H+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC000895101160 689661248 /nfs/dbraw/zinc/66/12/48/689661248.db2.gz ZYCHVZPDIKXNBN-HNNXBMFYSA-N 1 2 355.460 2.165 20 5 FEBDLO C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000895246116 689683172 /nfs/dbraw/zinc/68/31/72/689683172.db2.gz LMTYKZVICHFYTN-IINYFYTJSA-N 1 2 357.252 2.404 20 5 FEBDLO C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000895246116 689683175 /nfs/dbraw/zinc/68/31/75/689683175.db2.gz LMTYKZVICHFYTN-IINYFYTJSA-N 1 2 357.252 2.404 20 5 FEBDLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000898499993 690195881 /nfs/dbraw/zinc/19/58/81/690195881.db2.gz SYNHBYCBIKQZOE-NSHDSACASA-N 1 2 361.320 2.360 20 5 FEBDLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000898499993 690195885 /nfs/dbraw/zinc/19/58/85/690195885.db2.gz SYNHBYCBIKQZOE-NSHDSACASA-N 1 2 361.320 2.360 20 5 FEBDLO C/C(=C\C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)C[NH+]1CCOCC1 ZINC000900048245 690467110 /nfs/dbraw/zinc/46/71/10/690467110.db2.gz CBOAFZLJQIKPBA-UKTHLTGXSA-N 1 2 367.833 2.485 20 5 FEBDLO C[C@@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000900592645 690535890 /nfs/dbraw/zinc/53/58/90/690535890.db2.gz KRIVJJWPGITMBK-ZJUUUORDSA-N 1 2 359.785 2.226 20 5 FEBDLO NC(=O)NC(=O)CSc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000004246546 539379800 /nfs/dbraw/zinc/37/98/00/539379800.db2.gz NSTGWLYMQGTFES-UHFFFAOYSA-N 1 2 351.391 2.323 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000012811630 539575957 /nfs/dbraw/zinc/57/59/57/539575957.db2.gz MNVQVVUKHZSHSQ-UHFFFAOYSA-N 1 2 374.441 2.176 20 5 FEBDLO C[N@H+](CC(=O)NC(=O)NCc1cccs1)Cc1ccccc1[N+](=O)[O-] ZINC000026348789 539784641 /nfs/dbraw/zinc/78/46/41/539784641.db2.gz QAEFQNYSPWXHSS-UHFFFAOYSA-N 1 2 362.411 2.114 20 5 FEBDLO C[N@@H+](CC(=O)NC(=O)NCc1cccs1)Cc1ccccc1[N+](=O)[O-] ZINC000026348789 539784643 /nfs/dbraw/zinc/78/46/43/539784643.db2.gz QAEFQNYSPWXHSS-UHFFFAOYSA-N 1 2 362.411 2.114 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026489875 539788245 /nfs/dbraw/zinc/78/82/45/539788245.db2.gz QHSKAUVYADESDO-ZDUSSCGKSA-N 1 2 373.388 2.278 20 5 FEBDLO CC(C)N(C(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)C ZINC000026490298 539788275 /nfs/dbraw/zinc/78/82/75/539788275.db2.gz BAYPOPZAYUPMRG-HNNXBMFYSA-N 1 2 363.462 2.146 20 5 FEBDLO CCOC(=O)c1ccc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000031558032 539910546 /nfs/dbraw/zinc/91/05/46/539910546.db2.gz ACAIUIOTIYCBPT-UHFFFAOYSA-N 1 2 370.409 2.489 20 5 FEBDLO C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000032430060 539938612 /nfs/dbraw/zinc/93/86/12/539938612.db2.gz FRCYDENDFGPXMG-MCIONIFRSA-N 1 2 367.471 2.301 20 5 FEBDLO C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000032430060 539938616 /nfs/dbraw/zinc/93/86/16/539938616.db2.gz FRCYDENDFGPXMG-MCIONIFRSA-N 1 2 367.471 2.301 20 5 FEBDLO C[C@H]1CN(c2ccc(CNC(=O)c3csc([N+](=O)[O-])c3)c[nH+]2)CCO1 ZINC000044552982 540130689 /nfs/dbraw/zinc/13/06/89/540130689.db2.gz YMIOTKIHGKZANI-NSHDSACASA-N 1 2 362.411 2.206 20 5 FEBDLO Cc1cccc(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000046719306 540268248 /nfs/dbraw/zinc/26/82/48/540268248.db2.gz BYDKUYJHJLAHGP-AWEZNQCLSA-N 1 2 370.409 2.453 20 5 FEBDLO COc1ccc(C(=O)N2CC[NH+](Cc3c(C)noc3C)CC2)cc1[N+](=O)[O-] ZINC000047926929 540335113 /nfs/dbraw/zinc/33/51/13/540335113.db2.gz VNKZEDVKBFYLII-UHFFFAOYSA-N 1 2 374.397 2.166 20 5 FEBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000053070039 540509415 /nfs/dbraw/zinc/50/94/15/540509415.db2.gz DNBOLCPHYYGQLQ-UHFFFAOYSA-N 1 2 365.393 2.201 20 5 FEBDLO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062984534 541155931 /nfs/dbraw/zinc/15/59/31/541155931.db2.gz GUHRGWPPWHKUAN-LBPRGKRZSA-N 1 2 356.220 2.268 20 5 FEBDLO COc1ccc(CC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000067814112 541516651 /nfs/dbraw/zinc/51/66/51/541516651.db2.gz XQRCHRCYAMTYFJ-UHFFFAOYSA-N 1 2 370.409 2.326 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000072583474 541835142 /nfs/dbraw/zinc/83/51/42/541835142.db2.gz CGKGYZVRFTVLOF-QGZVFWFLSA-N 1 2 374.441 2.319 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000072583474 541835143 /nfs/dbraw/zinc/83/51/43/541835143.db2.gz CGKGYZVRFTVLOF-QGZVFWFLSA-N 1 2 374.441 2.319 20 5 FEBDLO CCn1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000072989281 541904797 /nfs/dbraw/zinc/90/47/97/541904797.db2.gz SRXZWQGOVYGIRV-LBPRGKRZSA-N 1 2 361.402 2.279 20 5 FEBDLO CCn1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000072989281 541904801 /nfs/dbraw/zinc/90/48/01/541904801.db2.gz SRXZWQGOVYGIRV-LBPRGKRZSA-N 1 2 361.402 2.279 20 5 FEBDLO O=[N+]([O-])c1cc(CN2CC[NH+](Cc3ccccn3)CC2)c2c(c1)COCO2 ZINC000022134660 220377608 /nfs/dbraw/zinc/37/76/08/220377608.db2.gz FQCPCTYLEMXZTR-UHFFFAOYSA-N 1 2 370.409 2.174 20 5 FEBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078146610 542444773 /nfs/dbraw/zinc/44/47/73/542444773.db2.gz WDGMXVMHPROHQX-CJNGLKHVSA-N 1 2 359.382 2.207 20 5 FEBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078146610 542444777 /nfs/dbraw/zinc/44/47/77/542444777.db2.gz WDGMXVMHPROHQX-CJNGLKHVSA-N 1 2 359.382 2.207 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000088777301 542756492 /nfs/dbraw/zinc/75/64/92/542756492.db2.gz JJXYEBPEVNHPHD-GFCCVEGCSA-N 1 2 350.400 2.195 20 5 FEBDLO Cn1ccnc1C(=O)c1ccc(NCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000091424643 542806312 /nfs/dbraw/zinc/80/63/12/542806312.db2.gz MIVGBZCXUZCELP-UHFFFAOYSA-N 1 2 354.370 2.258 20 5 FEBDLO O=C(C[N@@H+]1CCS[C@@H]2COCC[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000247423766 549332566 /nfs/dbraw/zinc/33/25/66/549332566.db2.gz ZGBCSHCUDPPYSX-TZMCWYRMSA-N 1 2 371.846 2.393 20 5 FEBDLO O=C(C[N@H+]1CCS[C@@H]2COCC[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000247423766 549332569 /nfs/dbraw/zinc/33/25/69/549332569.db2.gz ZGBCSHCUDPPYSX-TZMCWYRMSA-N 1 2 371.846 2.393 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000101570734 543034537 /nfs/dbraw/zinc/03/45/37/543034537.db2.gz CJHNWDJUBASDKB-UHFFFAOYSA-N 1 2 353.444 2.152 20 5 FEBDLO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000101950825 543050761 /nfs/dbraw/zinc/05/07/61/543050761.db2.gz GIVYRPYOIZKGJY-UHFFFAOYSA-N 1 2 359.342 2.485 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000105360994 543172410 /nfs/dbraw/zinc/17/24/10/543172410.db2.gz PUSBHCCSJPFFAV-HNNXBMFYSA-N 1 2 369.425 2.135 20 5 FEBDLO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000106380387 543226753 /nfs/dbraw/zinc/22/67/53/543226753.db2.gz LBNMCKFQBSXJNH-CQSZACIVSA-N 1 2 357.357 2.149 20 5 FEBDLO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000106380387 543226755 /nfs/dbraw/zinc/22/67/55/543226755.db2.gz LBNMCKFQBSXJNH-CQSZACIVSA-N 1 2 357.357 2.149 20 5 FEBDLO Cc1c(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000109762115 543337749 /nfs/dbraw/zinc/33/77/49/543337749.db2.gz IYLVFWUWQSQZGV-HZPDHXFCSA-N 1 2 368.455 2.071 20 5 FEBDLO Cc1c(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000109762115 543337751 /nfs/dbraw/zinc/33/77/51/543337751.db2.gz IYLVFWUWQSQZGV-HZPDHXFCSA-N 1 2 368.455 2.071 20 5 FEBDLO COc1ccc(CSCC(=O)O[C@H]2CC[N@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000802242055 674172820 /nfs/dbraw/zinc/17/28/20/674172820.db2.gz WBLULYANMAHCSE-ZDUSSCGKSA-N 1 2 372.418 2.424 20 5 FEBDLO COc1ccc(CSCC(=O)O[C@H]2CC[N@@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000802242055 674172822 /nfs/dbraw/zinc/17/28/22/674172822.db2.gz WBLULYANMAHCSE-ZDUSSCGKSA-N 1 2 372.418 2.424 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](N3CCCC3=O)C2)cccc1[N+](=O)[O-] ZINC000111293616 543393459 /nfs/dbraw/zinc/39/34/59/543393459.db2.gz FOGDRIMLGPUSRJ-CABCVRRESA-N 1 2 374.441 2.317 20 5 FEBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](N3CCCC3=O)C2)cccc1[N+](=O)[O-] ZINC000111293616 543393462 /nfs/dbraw/zinc/39/34/62/543393462.db2.gz FOGDRIMLGPUSRJ-CABCVRRESA-N 1 2 374.441 2.317 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130008435 544135321 /nfs/dbraw/zinc/13/53/21/544135321.db2.gz VYOHBMGPHISHGD-UHFFFAOYSA-N 1 2 371.393 2.267 20 5 FEBDLO NC(=O)c1ccc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000141744545 544414765 /nfs/dbraw/zinc/41/47/65/544414765.db2.gz VGLHHQDQEJPKSB-MRXNPFEDSA-N 1 2 359.382 2.468 20 5 FEBDLO NC(=O)c1ccc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000141744545 544414767 /nfs/dbraw/zinc/41/47/67/544414767.db2.gz VGLHHQDQEJPKSB-MRXNPFEDSA-N 1 2 359.382 2.468 20 5 FEBDLO CCN1CC[NH+]([C@@H](C)CNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000553275844 674250090 /nfs/dbraw/zinc/25/00/90/674250090.db2.gz VYPOOBCCKIKMNG-NSHDSACASA-N 1 2 350.448 2.037 20 5 FEBDLO C[NH+](C)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000180785277 327701987 /nfs/dbraw/zinc/70/19/87/327701987.db2.gz CUXKFZBNXABDJR-CQSZACIVSA-N 1 2 364.352 2.488 20 5 FEBDLO Cc1cccc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3O)CC2)[nH+]1 ZINC000184792713 327883591 /nfs/dbraw/zinc/88/35/91/327883591.db2.gz HQQNSQHNRCEVGM-UHFFFAOYSA-N 1 2 356.382 2.403 20 5 FEBDLO CS(=O)(=O)CC[NH+]1CCC(Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804444394 674287578 /nfs/dbraw/zinc/28/75/78/674287578.db2.gz SKBZIZXMWGTPAC-UHFFFAOYSA-N 1 2 361.851 2.169 20 5 FEBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186501200 327965122 /nfs/dbraw/zinc/96/51/22/327965122.db2.gz KQHKDGODIUSKJZ-UHFFFAOYSA-N 1 2 356.382 2.108 20 5 FEBDLO O=C(NCc1[nH+]ccn1CCc1ccccc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187175077 328007186 /nfs/dbraw/zinc/00/71/86/328007186.db2.gz DARFIWPVXBWTIN-UHFFFAOYSA-N 1 2 367.365 2.065 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000189922734 328176214 /nfs/dbraw/zinc/17/62/14/328176214.db2.gz YNCCIHYOZJTXSQ-UHFFFAOYSA-N 1 2 364.427 2.434 20 5 FEBDLO CCc1nnc(C2CC[NH+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000190707773 328226356 /nfs/dbraw/zinc/22/63/56/328226356.db2.gz GHKPXZRTPXOFKE-GFCCVEGCSA-N 1 2 372.429 2.482 20 5 FEBDLO CCc1n[nH]c(C2CC[NH+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000190707773 328226358 /nfs/dbraw/zinc/22/63/58/328226358.db2.gz GHKPXZRTPXOFKE-GFCCVEGCSA-N 1 2 372.429 2.482 20 5 FEBDLO CCc1nc(C2CC[NH+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000190707773 328226360 /nfs/dbraw/zinc/22/63/60/328226360.db2.gz GHKPXZRTPXOFKE-GFCCVEGCSA-N 1 2 372.429 2.482 20 5 FEBDLO CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc[nH+]c2N(C)C)cc1OC ZINC000046591171 324610823 /nfs/dbraw/zinc/61/08/23/324610823.db2.gz NBNYHOOEGOSVIX-UHFFFAOYSA-N 1 2 374.397 2.393 20 5 FEBDLO CN(CC(=O)NCCCCNc1cccc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000080059158 325116396 /nfs/dbraw/zinc/11/63/96/325116396.db2.gz VGDKEBAOMWEFHT-UHFFFAOYSA-N 1 2 357.414 2.435 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000080942486 325149759 /nfs/dbraw/zinc/14/97/59/325149759.db2.gz GYKKWKHVYNRMHX-OAHLLOKOSA-N 1 2 367.833 2.114 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C2 ZINC000090167887 325355908 /nfs/dbraw/zinc/35/59/08/325355908.db2.gz UDQKFRBWANNJDP-ZDUSSCGKSA-N 1 2 364.427 2.010 20 5 FEBDLO Cc1cccn2cc(CNS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH+]c12 ZINC000107321755 325624265 /nfs/dbraw/zinc/62/42/65/325624265.db2.gz VFHJHPGVZYJMDP-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000116467437 326017062 /nfs/dbraw/zinc/01/70/62/326017062.db2.gz NBEVTUIZCGNJPZ-CJNGLKHVSA-N 1 2 370.409 2.336 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000116467437 326017064 /nfs/dbraw/zinc/01/70/64/326017064.db2.gz NBEVTUIZCGNJPZ-CJNGLKHVSA-N 1 2 370.409 2.336 20 5 FEBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000119263213 326142631 /nfs/dbraw/zinc/14/26/31/326142631.db2.gz KOEWKGYJXXHIKJ-UHFFFAOYSA-N 1 2 354.204 2.278 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000119823592 326202145 /nfs/dbraw/zinc/20/21/45/326202145.db2.gz JCPLQSCFLDMPLO-GOSISDBHSA-N 1 2 373.384 2.225 20 5 FEBDLO Cc1cc[nH+]c(N2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000120025431 326223017 /nfs/dbraw/zinc/22/30/17/326223017.db2.gz LHOVFFWNJXLZDL-UHFFFAOYSA-N 1 2 355.398 2.059 20 5 FEBDLO Cc1cc[nH+]c(N2CCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000120052391 326225939 /nfs/dbraw/zinc/22/59/39/326225939.db2.gz GJSONAVFFCWBHQ-OAHLLOKOSA-N 1 2 369.425 2.447 20 5 FEBDLO Cc1c[nH+]ccc1NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000121404196 326336109 /nfs/dbraw/zinc/33/61/09/326336109.db2.gz RJBUHJCQUKPTST-UHFFFAOYSA-N 1 2 369.381 2.288 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000121775284 326366037 /nfs/dbraw/zinc/36/60/37/326366037.db2.gz KDRLHHSKEZBAOL-CYBMUJFWSA-N 1 2 371.397 2.279 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000123167738 326422325 /nfs/dbraw/zinc/42/23/25/326422325.db2.gz WIERAHYYQPIWPC-GFCCVEGCSA-N 1 2 357.370 2.399 20 5 FEBDLO COC(=O)c1cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c1 ZINC000123919952 326444547 /nfs/dbraw/zinc/44/45/47/326444547.db2.gz SCPBCBRGFUFRSH-WBMJQRKESA-N 1 2 372.381 2.301 20 5 FEBDLO Cc1c(F)cc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000134018156 326618479 /nfs/dbraw/zinc/61/84/79/326618479.db2.gz JJESBFRJQUWJDA-UHFFFAOYSA-N 1 2 368.390 2.265 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000136096310 326649889 /nfs/dbraw/zinc/64/98/89/326649889.db2.gz RSXBZNAHBWKVMM-SFHVURJKSA-N 1 2 355.394 2.086 20 5 FEBDLO C[C@@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000151260908 326678194 /nfs/dbraw/zinc/67/81/94/326678194.db2.gz HPRNCBBQXYHMIV-OCCSQVGLSA-N 1 2 350.400 2.063 20 5 FEBDLO CSc1ccc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000170885085 327105142 /nfs/dbraw/zinc/10/51/42/327105142.db2.gz DLXPEHBDQYMLLZ-NWDGAFQWSA-N 1 2 353.444 2.156 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000171103217 327118383 /nfs/dbraw/zinc/11/83/83/327118383.db2.gz XFMRKSDIVQFZME-CYBMUJFWSA-N 1 2 350.419 2.066 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000171103217 327118384 /nfs/dbraw/zinc/11/83/84/327118384.db2.gz XFMRKSDIVQFZME-CYBMUJFWSA-N 1 2 350.419 2.066 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1nnc2ccccn21 ZINC000172611856 327211549 /nfs/dbraw/zinc/21/15/49/327211549.db2.gz ABMIWCOEZNRRHJ-GFCCVEGCSA-N 1 2 354.370 2.235 20 5 FEBDLO COC(=O)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)CC(C)C ZINC000172642944 327213177 /nfs/dbraw/zinc/21/31/77/327213177.db2.gz OVCOCSILMVWFPN-AWEZNQCLSA-N 1 2 374.397 2.346 20 5 FEBDLO COc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173470333 327259444 /nfs/dbraw/zinc/25/94/44/327259444.db2.gz IMNKMKBPEAAUHG-CYBMUJFWSA-N 1 2 371.397 2.123 20 5 FEBDLO COc1ccccc1NC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173470333 327259445 /nfs/dbraw/zinc/25/94/45/327259445.db2.gz IMNKMKBPEAAUHG-CYBMUJFWSA-N 1 2 371.397 2.123 20 5 FEBDLO CCCS(=O)(=O)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174242111 327314949 /nfs/dbraw/zinc/31/49/49/327314949.db2.gz WIOVMHRZSIRGJC-UHFFFAOYSA-N 1 2 356.444 2.263 20 5 FEBDLO C[NH+](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1c(F)cccc1F ZINC000178200931 327571536 /nfs/dbraw/zinc/57/15/36/327571536.db2.gz ITTDLSCQFHLPHR-CQSZACIVSA-N 1 2 364.352 2.488 20 5 FEBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178443248 327585331 /nfs/dbraw/zinc/58/53/31/327585331.db2.gz MYGHCMJGBSOEGL-UHFFFAOYSA-N 1 2 358.373 2.395 20 5 FEBDLO O=C(Cc1ccccc1)N1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178573420 327593192 /nfs/dbraw/zinc/59/31/92/327593192.db2.gz JHINJAXYMPVXBV-LJQANCHMSA-N 1 2 369.421 2.015 20 5 FEBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000264666182 329046215 /nfs/dbraw/zinc/04/62/15/329046215.db2.gz JUCUPUIHWRXQET-GOSISDBHSA-N 1 2 355.394 2.086 20 5 FEBDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC2)S1 ZINC000266077322 329187853 /nfs/dbraw/zinc/18/78/53/329187853.db2.gz KAHOOMMDGZUBAW-LLVKDONJSA-N 1 2 373.438 2.325 20 5 FEBDLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)n1 ZINC000267034381 329285295 /nfs/dbraw/zinc/28/52/95/329285295.db2.gz BXHVERHZOMXARE-GFCCVEGCSA-N 1 2 352.395 2.040 20 5 FEBDLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)n1 ZINC000267034381 329285296 /nfs/dbraw/zinc/28/52/96/329285296.db2.gz BXHVERHZOMXARE-GFCCVEGCSA-N 1 2 352.395 2.040 20 5 FEBDLO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccn1 ZINC000268133097 329388741 /nfs/dbraw/zinc/38/87/41/329388741.db2.gz CPXKZZWPRSPGQL-UHFFFAOYSA-N 1 2 358.354 2.179 20 5 FEBDLO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccn1 ZINC000268133097 329388742 /nfs/dbraw/zinc/38/87/42/329388742.db2.gz CPXKZZWPRSPGQL-UHFFFAOYSA-N 1 2 358.354 2.179 20 5 FEBDLO CC1(C)CN=C(N2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)S1 ZINC000269643130 329536847 /nfs/dbraw/zinc/53/68/47/329536847.db2.gz JVIYSNRBGUCRQY-OAHLLOKOSA-N 1 2 364.471 2.127 20 5 FEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCCCC3)C2)s1 ZINC000271279681 329679807 /nfs/dbraw/zinc/67/98/07/329679807.db2.gz NVRCJXHRNFNKLP-LLVKDONJSA-N 1 2 359.473 2.124 20 5 FEBDLO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272606213 329796531 /nfs/dbraw/zinc/79/65/31/329796531.db2.gz VZBMNYHYXMVAKD-SECBINFHSA-N 1 2 358.383 2.342 20 5 FEBDLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)s1 ZINC000273434493 329864794 /nfs/dbraw/zinc/86/47/94/329864794.db2.gz YAZJKLPRJYQJRB-VIFPVBQESA-N 1 2 364.383 2.378 20 5 FEBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000276060758 330115653 /nfs/dbraw/zinc/11/56/53/330115653.db2.gz AAQCRCFQNFHQPQ-DOMZBBRYSA-N 1 2 364.427 2.282 20 5 FEBDLO Cc1c(NC(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cccc1[N+](=O)[O-] ZINC000369336574 330241149 /nfs/dbraw/zinc/24/11/49/330241149.db2.gz XHBQQESNWPXLTE-UHFFFAOYSA-N 1 2 371.397 2.033 20 5 FEBDLO O=C(CC[N@@H+]1CCNC(=O)[C@H]1c1cccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411377877 330255750 /nfs/dbraw/zinc/25/57/50/330255750.db2.gz DXQOINNERDKCNJ-MRXNPFEDSA-N 1 2 374.422 2.158 20 5 FEBDLO O=C(CC[N@H+]1CCNC(=O)[C@H]1c1cccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411377877 330255752 /nfs/dbraw/zinc/25/57/52/330255752.db2.gz DXQOINNERDKCNJ-MRXNPFEDSA-N 1 2 374.422 2.158 20 5 FEBDLO CC1CCC(NC(=O)CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000477486931 561146217 /nfs/dbraw/zinc/14/62/17/561146217.db2.gz UCZAMMABBJSFCU-UHFFFAOYSA-N 1 2 374.485 2.407 20 5 FEBDLO CC1CCC(NC(=O)C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000477486931 561146218 /nfs/dbraw/zinc/14/62/18/561146218.db2.gz UCZAMMABBJSFCU-UHFFFAOYSA-N 1 2 374.485 2.407 20 5 FEBDLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000478421929 561166504 /nfs/dbraw/zinc/16/65/04/561166504.db2.gz QGVQUMREPJWLFN-UHFFFAOYSA-N 1 2 367.793 2.024 20 5 FEBDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000478421929 561166505 /nfs/dbraw/zinc/16/65/05/561166505.db2.gz QGVQUMREPJWLFN-UHFFFAOYSA-N 1 2 367.793 2.024 20 5 FEBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCOc2cc[nH+]cc21 ZINC000175665332 546330664 /nfs/dbraw/zinc/33/06/64/546330664.db2.gz CSYIENILMFBCSI-UHFFFAOYSA-N 1 2 355.759 2.231 20 5 FEBDLO O=[N+]([O-])c1ccn(CC[NH+]2CCN(Cc3c(F)cccc3Cl)CC2)n1 ZINC000176195317 546418862 /nfs/dbraw/zinc/41/88/62/546418862.db2.gz RVVRJNVJCMZMBB-UHFFFAOYSA-N 1 2 367.812 2.402 20 5 FEBDLO O=C(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccs1 ZINC000179122189 546902549 /nfs/dbraw/zinc/90/25/49/546902549.db2.gz FBJLLISXVRMPCO-UHFFFAOYSA-N 1 2 356.363 2.455 20 5 FEBDLO Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179316737 546930723 /nfs/dbraw/zinc/93/07/23/546930723.db2.gz AHKUESNACXVTGS-UHFFFAOYSA-N 1 2 359.430 2.105 20 5 FEBDLO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179316737 546930728 /nfs/dbraw/zinc/93/07/28/546930728.db2.gz AHKUESNACXVTGS-UHFFFAOYSA-N 1 2 359.430 2.105 20 5 FEBDLO COCCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000179338869 546934479 /nfs/dbraw/zinc/93/44/79/546934479.db2.gz CHUQYYOSDXLKJP-CJNGLKHVSA-N 1 2 351.403 2.049 20 5 FEBDLO COCCO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000179338869 546934483 /nfs/dbraw/zinc/93/44/83/546934483.db2.gz CHUQYYOSDXLKJP-CJNGLKHVSA-N 1 2 351.403 2.049 20 5 FEBDLO C[C@@H](c1cccc(F)c1)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000179642796 546990277 /nfs/dbraw/zinc/99/02/77/546990277.db2.gz MMABZEHZORIZBZ-HNNXBMFYSA-N 1 2 374.416 2.274 20 5 FEBDLO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000180121533 547055566 /nfs/dbraw/zinc/05/55/66/547055566.db2.gz BKMLPHVMSHWUIN-OAHLLOKOSA-N 1 2 364.427 2.417 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CS(C)(=O)=O)c1ccccc1 ZINC000181764779 547377052 /nfs/dbraw/zinc/37/70/52/547377052.db2.gz RKMGYFFZWLYAKA-MRXNPFEDSA-N 1 2 364.423 2.479 20 5 FEBDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000182415984 547489552 /nfs/dbraw/zinc/48/95/52/547489552.db2.gz WKQIFKIQECOLJR-UHFFFAOYSA-N 1 2 366.443 2.109 20 5 FEBDLO COc1cc(CN2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])cc1F ZINC000184272260 547798259 /nfs/dbraw/zinc/79/82/59/547798259.db2.gz YPXKOZIJUPYIOC-UHFFFAOYSA-N 1 2 360.389 2.455 20 5 FEBDLO CC(=O)N1CC[NH+](CCNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000484896731 561308077 /nfs/dbraw/zinc/30/80/77/561308077.db2.gz YTZLZFPNLFDZRB-UHFFFAOYSA-N 1 2 364.446 2.348 20 5 FEBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000184661769 547861274 /nfs/dbraw/zinc/86/12/74/547861274.db2.gz DNLHAJUZQPIARA-CQSZACIVSA-N 1 2 350.400 2.375 20 5 FEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000184755619 547875763 /nfs/dbraw/zinc/87/57/63/547875763.db2.gz QFDYLNLFXBEJLJ-INIZCTEOSA-N 1 2 363.458 2.391 20 5 FEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000184755619 547875770 /nfs/dbraw/zinc/87/57/70/547875770.db2.gz QFDYLNLFXBEJLJ-INIZCTEOSA-N 1 2 363.458 2.391 20 5 FEBDLO C[C@@H](C(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185163127 547943507 /nfs/dbraw/zinc/94/35/07/547943507.db2.gz RPRASCCGQTVKML-GFCCVEGCSA-N 1 2 353.394 2.064 20 5 FEBDLO C[C@@H](C(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185163127 547943511 /nfs/dbraw/zinc/94/35/11/547943511.db2.gz RPRASCCGQTVKML-GFCCVEGCSA-N 1 2 353.394 2.064 20 5 FEBDLO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000185214842 547952836 /nfs/dbraw/zinc/95/28/36/547952836.db2.gz NSWPYKCQLDPYDF-RYUDHWBXSA-N 1 2 364.402 2.366 20 5 FEBDLO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000185214900 547952858 /nfs/dbraw/zinc/95/28/58/547952858.db2.gz NSWPYKCQLDPYDF-VXGBXAGGSA-N 1 2 364.402 2.366 20 5 FEBDLO Cc1c(NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)cccc1[N+](=O)[O-] ZINC000485427433 561318916 /nfs/dbraw/zinc/31/89/16/561318916.db2.gz VOTVESAOEIJQBG-OAHLLOKOSA-N 1 2 373.413 2.338 20 5 FEBDLO Cc1c(NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)cccc1[N+](=O)[O-] ZINC000485427433 561318917 /nfs/dbraw/zinc/31/89/17/561318917.db2.gz VOTVESAOEIJQBG-OAHLLOKOSA-N 1 2 373.413 2.338 20 5 FEBDLO C[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000185339965 547972624 /nfs/dbraw/zinc/97/26/24/547972624.db2.gz VQDAVJGRPVWFLZ-UKRRQHHQSA-N 1 2 365.405 2.161 20 5 FEBDLO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nc(Cc2ccccc2)no1 ZINC000185417412 547981478 /nfs/dbraw/zinc/98/14/78/547981478.db2.gz FPCAAJORIUBBEF-CYBMUJFWSA-N 1 2 369.381 2.081 20 5 FEBDLO Cc1nc(N2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)cc[nH+]1 ZINC000185434102 547984865 /nfs/dbraw/zinc/98/48/65/547984865.db2.gz ALOGBUHHMYCLCZ-UHFFFAOYSA-N 1 2 361.789 2.309 20 5 FEBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186099773 548084374 /nfs/dbraw/zinc/08/43/74/548084374.db2.gz WDHLFSNTVKAPGL-GOSISDBHSA-N 1 2 357.410 2.090 20 5 FEBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186099773 548084380 /nfs/dbraw/zinc/08/43/80/548084380.db2.gz WDHLFSNTVKAPGL-GOSISDBHSA-N 1 2 357.410 2.090 20 5 FEBDLO COc1ccc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000186451561 548137285 /nfs/dbraw/zinc/13/72/85/548137285.db2.gz GMYRCRQEPGCCBU-UHFFFAOYSA-N 1 2 356.382 2.351 20 5 FEBDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186953937 548227667 /nfs/dbraw/zinc/22/76/67/548227667.db2.gz YOBFZHYCWDPOAZ-UHFFFAOYSA-N 1 2 371.397 2.401 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000245409706 548910889 /nfs/dbraw/zinc/91/08/89/548910889.db2.gz NPSMZXKUPQQKSM-QWRGUYRKSA-N 1 2 368.821 2.163 20 5 FEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000245409706 548910892 /nfs/dbraw/zinc/91/08/92/548910892.db2.gz NPSMZXKUPQQKSM-QWRGUYRKSA-N 1 2 368.821 2.163 20 5 FEBDLO COc1cc(C[NH+]2C[C@@H](OC)[C@H](OC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000488044266 561382061 /nfs/dbraw/zinc/38/20/61/561382061.db2.gz SCEAGNQFDQGEPV-ZIAGYGMSSA-N 1 2 362.329 2.050 20 5 FEBDLO CCOC(=O)c1ccnc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000246845497 549226873 /nfs/dbraw/zinc/22/68/73/549226873.db2.gz ANZUKDYWCNPMSP-JSGCOSHPSA-N 1 2 359.386 2.451 20 5 FEBDLO CC[C@H](C)NC(=O)CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489202053 561405458 /nfs/dbraw/zinc/40/54/58/561405458.db2.gz CMMNMOOVHABHAB-LBPRGKRZSA-N 1 2 357.414 2.499 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000248446323 549439025 /nfs/dbraw/zinc/43/90/25/549439025.db2.gz GWEZGSCPAKAFBT-XJKSGUPXSA-N 1 2 364.423 2.470 20 5 FEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000248446323 549439029 /nfs/dbraw/zinc/43/90/29/549439029.db2.gz GWEZGSCPAKAFBT-XJKSGUPXSA-N 1 2 364.423 2.470 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC000253351811 549682718 /nfs/dbraw/zinc/68/27/18/549682718.db2.gz LPDBAXLFYUIDFT-AWEZNQCLSA-N 1 2 353.444 2.070 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC000253351811 549682721 /nfs/dbraw/zinc/68/27/21/549682721.db2.gz LPDBAXLFYUIDFT-AWEZNQCLSA-N 1 2 353.444 2.070 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263838262 549944111 /nfs/dbraw/zinc/94/41/11/549944111.db2.gz PLDPVEWBKWJTHH-UHFFFAOYSA-N 1 2 359.386 2.416 20 5 FEBDLO CC(C)CO[C@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000268377820 550056059 /nfs/dbraw/zinc/05/60/59/550056059.db2.gz MIJKSUYTIXMKNI-LBPRGKRZSA-N 1 2 365.386 2.009 20 5 FEBDLO CC(C)CO[C@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000268377820 550056060 /nfs/dbraw/zinc/05/60/60/550056060.db2.gz MIJKSUYTIXMKNI-LBPRGKRZSA-N 1 2 365.386 2.009 20 5 FEBDLO O=C(C[N@@H+]1CCc2ccccc2[C@@H]1CO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000268478196 550073145 /nfs/dbraw/zinc/07/31/45/550073145.db2.gz KGFIEAFRABBAHS-IBGZPJMESA-N 1 2 367.405 2.076 20 5 FEBDLO O=C(C[N@H+]1CCc2ccccc2[C@@H]1CO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000268478196 550073149 /nfs/dbraw/zinc/07/31/49/550073149.db2.gz KGFIEAFRABBAHS-IBGZPJMESA-N 1 2 367.405 2.076 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492759585 561452714 /nfs/dbraw/zinc/45/27/14/561452714.db2.gz XBUFZYGXFIDOFT-INIZCTEOSA-N 1 2 354.370 2.071 20 5 FEBDLO COc1cc(C)[nH+]c(CN2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000271206621 550352965 /nfs/dbraw/zinc/35/29/65/550352965.db2.gz KHCSSKSSEWPOGP-GOSISDBHSA-N 1 2 370.365 2.274 20 5 FEBDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273152167 550487397 /nfs/dbraw/zinc/48/73/97/550487397.db2.gz MDJAGUDPLDAVMP-QAPCUYQASA-N 1 2 374.393 2.181 20 5 FEBDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273152167 550487398 /nfs/dbraw/zinc/48/73/98/550487398.db2.gz MDJAGUDPLDAVMP-QAPCUYQASA-N 1 2 374.393 2.181 20 5 FEBDLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000276872929 550605738 /nfs/dbraw/zinc/60/57/38/550605738.db2.gz YTHUBQFUKGNLRR-CYBMUJFWSA-N 1 2 355.341 2.393 20 5 FEBDLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000276872929 550605739 /nfs/dbraw/zinc/60/57/39/550605739.db2.gz YTHUBQFUKGNLRR-CYBMUJFWSA-N 1 2 355.341 2.393 20 5 FEBDLO CCOc1cc(C[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)ccc1[N+](=O)[O-] ZINC000276910271 550609911 /nfs/dbraw/zinc/60/99/11/550609911.db2.gz NDCWMOKYEZSJET-LBPRGKRZSA-N 1 2 356.444 2.391 20 5 FEBDLO CCOc1cc(C[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)ccc1[N+](=O)[O-] ZINC000276910271 550609912 /nfs/dbraw/zinc/60/99/12/550609912.db2.gz NDCWMOKYEZSJET-LBPRGKRZSA-N 1 2 356.444 2.391 20 5 FEBDLO CCOc1cc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000276965969 550616387 /nfs/dbraw/zinc/61/63/87/550616387.db2.gz WFWBQRQCZMFIQM-UHFFFAOYSA-N 1 2 364.490 2.451 20 5 FEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000277852507 550721620 /nfs/dbraw/zinc/72/16/20/550721620.db2.gz AJJXESUFRZTJAT-RYUDHWBXSA-N 1 2 355.822 2.396 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]c(NCc3ccc(N4CCOCC4)[nH+]c3)nc2c1 ZINC000278374115 550778820 /nfs/dbraw/zinc/77/88/20/550778820.db2.gz DQCPFXRCTVCFQW-UHFFFAOYSA-N 1 2 354.370 2.315 20 5 FEBDLO Cc1ccc([C@@H](C)NC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000278661224 550809217 /nfs/dbraw/zinc/80/92/17/550809217.db2.gz AAXWGZIJSBEMPC-HUUCEWRRSA-N 1 2 364.446 2.326 20 5 FEBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nnnn2CC2CCOCC2)cc1[N+](=O)[O-] ZINC000278957966 550840208 /nfs/dbraw/zinc/84/02/08/550840208.db2.gz ZIYQDCCKJZZAMM-CYBMUJFWSA-N 1 2 360.418 2.167 20 5 FEBDLO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ncnn1CC(F)F ZINC000279028033 550848105 /nfs/dbraw/zinc/84/81/05/550848105.db2.gz WMGNBWZPRYZWLS-UHFFFAOYSA-N 1 2 355.345 2.352 20 5 FEBDLO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ncnn1CC(F)F ZINC000279028033 550848107 /nfs/dbraw/zinc/84/81/07/550848107.db2.gz WMGNBWZPRYZWLS-UHFFFAOYSA-N 1 2 355.345 2.352 20 5 FEBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H](C)O1 ZINC000279296821 550874865 /nfs/dbraw/zinc/87/48/65/550874865.db2.gz LZPFIUYURPJTPA-BETUJISGSA-N 1 2 360.414 2.257 20 5 FEBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H](C)O1 ZINC000279296821 550874866 /nfs/dbraw/zinc/87/48/66/550874866.db2.gz LZPFIUYURPJTPA-BETUJISGSA-N 1 2 360.414 2.257 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000279833411 550933854 /nfs/dbraw/zinc/93/38/54/550933854.db2.gz ZUAQYFTXKHMSGT-CQSZACIVSA-N 1 2 360.414 2.402 20 5 FEBDLO O=C(CCc1c[nH+]c[nH]1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000280215475 550972297 /nfs/dbraw/zinc/97/22/97/550972297.db2.gz JILZYXITYOGLOT-UHFFFAOYSA-N 1 2 371.319 2.498 20 5 FEBDLO O=C(CCc1c[nH]c[nH+]1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000280215475 550972299 /nfs/dbraw/zinc/97/22/99/550972299.db2.gz JILZYXITYOGLOT-UHFFFAOYSA-N 1 2 371.319 2.498 20 5 FEBDLO C[NH+]1CCN(Cc2cccc(NC(=O)c3cccc(O)c3[N+](=O)[O-])c2)CC1 ZINC000280885740 551042623 /nfs/dbraw/zinc/04/26/23/551042623.db2.gz ZANUTCVJJYCYKD-UHFFFAOYSA-N 1 2 370.409 2.300 20 5 FEBDLO COc1ccc(C(=O)NC(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000282381715 551220328 /nfs/dbraw/zinc/22/03/28/551220328.db2.gz GBLSKFVXHLTHGX-UHFFFAOYSA-N 1 2 371.393 2.034 20 5 FEBDLO COCCCn1nccc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000282751927 551266393 /nfs/dbraw/zinc/26/63/93/551266393.db2.gz HBNGQKOWPNJKSR-UHFFFAOYSA-N 1 2 359.430 2.150 20 5 FEBDLO CCc1n[nH]c(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000282788765 551270661 /nfs/dbraw/zinc/27/06/61/551270661.db2.gz MYYWNWXREXRXFZ-LBPRGKRZSA-N 1 2 372.429 2.433 20 5 FEBDLO CCc1[nH]nc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000282788765 551270662 /nfs/dbraw/zinc/27/06/62/551270662.db2.gz MYYWNWXREXRXFZ-LBPRGKRZSA-N 1 2 372.429 2.433 20 5 FEBDLO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000497801933 561509164 /nfs/dbraw/zinc/50/91/64/561509164.db2.gz DZUDCVXMJGIVTM-DOTOQJQBSA-N 1 2 365.393 2.299 20 5 FEBDLO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000497801933 561509165 /nfs/dbraw/zinc/50/91/65/561509165.db2.gz DZUDCVXMJGIVTM-DOTOQJQBSA-N 1 2 365.393 2.299 20 5 FEBDLO C[N@@H+]1CCO[C@@H]2CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]21 ZINC000284417884 551544763 /nfs/dbraw/zinc/54/47/63/551544763.db2.gz RAFGWVVTKBZQCH-UKRRQHHQSA-N 1 2 357.357 2.101 20 5 FEBDLO C[N@H+]1CCO[C@@H]2CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]21 ZINC000284417884 551544764 /nfs/dbraw/zinc/54/47/64/551544764.db2.gz RAFGWVVTKBZQCH-UKRRQHHQSA-N 1 2 357.357 2.101 20 5 FEBDLO Cc1noc([C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CCOCC2)n1 ZINC000498369992 561523517 /nfs/dbraw/zinc/52/35/17/561523517.db2.gz ZLILXSSRNPZJBA-INIZCTEOSA-N 1 2 372.385 2.420 20 5 FEBDLO CSC[C@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284926837 551669608 /nfs/dbraw/zinc/66/96/08/551669608.db2.gz VZPNQVNYIJTMDH-SECBINFHSA-N 1 2 361.261 2.439 20 5 FEBDLO CSC[C@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284926837 551669610 /nfs/dbraw/zinc/66/96/10/551669610.db2.gz VZPNQVNYIJTMDH-SECBINFHSA-N 1 2 361.261 2.439 20 5 FEBDLO CN(C)C(=O)CC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000285027455 551692313 /nfs/dbraw/zinc/69/23/13/551692313.db2.gz ZYDHLUZACFEUQQ-UHFFFAOYSA-N 1 2 356.220 2.194 20 5 FEBDLO CN(C)C(=O)CC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000285027455 551692315 /nfs/dbraw/zinc/69/23/15/551692315.db2.gz ZYDHLUZACFEUQQ-UHFFFAOYSA-N 1 2 356.220 2.194 20 5 FEBDLO COC(=O)C1=NOC2(C1)CC[NH+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC000285642550 551788122 /nfs/dbraw/zinc/78/81/22/551788122.db2.gz OAEKRPBLJDSURA-UHFFFAOYSA-N 1 2 369.324 2.157 20 5 FEBDLO COCCCNC(=O)C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285834631 551816923 /nfs/dbraw/zinc/81/69/23/551816923.db2.gz CBRDCXABYQVURZ-UHFFFAOYSA-N 1 2 371.384 2.238 20 5 FEBDLO CC(C)[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000286013109 551838449 /nfs/dbraw/zinc/83/84/49/551838449.db2.gz FEWXQYQZJVSGPK-ZDUSSCGKSA-N 1 2 364.475 2.283 20 5 FEBDLO C[C@@H]1CCSCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000286270868 551868131 /nfs/dbraw/zinc/86/81/31/551868131.db2.gz UBSDYHMIWWUPLP-SNVBAGLBSA-N 1 2 353.400 2.089 20 5 FEBDLO C[C@@H]1CCSCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000286270868 551868132 /nfs/dbraw/zinc/86/81/32/551868132.db2.gz UBSDYHMIWWUPLP-SNVBAGLBSA-N 1 2 353.400 2.089 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000286616920 551906711 /nfs/dbraw/zinc/90/67/11/551906711.db2.gz RVEALCTVWJEQCQ-CMPLNLGQSA-N 1 2 363.292 2.496 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000286616920 551906713 /nfs/dbraw/zinc/90/67/13/551906713.db2.gz RVEALCTVWJEQCQ-CMPLNLGQSA-N 1 2 363.292 2.496 20 5 FEBDLO Cc1noc([C@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000286778513 551925090 /nfs/dbraw/zinc/92/50/90/551925090.db2.gz YRHCEPLJYOXUCT-CQSZACIVSA-N 1 2 368.353 2.449 20 5 FEBDLO COC(=O)c1cc(C)nc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000287849546 552054743 /nfs/dbraw/zinc/05/47/43/552054743.db2.gz MGRKQCUYIOTWGI-BXUZGUMPSA-N 1 2 359.386 2.369 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000289355913 552306661 /nfs/dbraw/zinc/30/66/61/552306661.db2.gz MBMDYRDIVLESQR-WCQYABFASA-N 1 2 353.806 2.183 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000501155093 561591451 /nfs/dbraw/zinc/59/14/51/561591451.db2.gz MLJGJCGGLBGIFA-UHFFFAOYSA-N 1 2 361.851 2.271 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000501155093 561591452 /nfs/dbraw/zinc/59/14/52/561591452.db2.gz MLJGJCGGLBGIFA-UHFFFAOYSA-N 1 2 361.851 2.271 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)c(Cl)c1 ZINC000293115271 552790129 /nfs/dbraw/zinc/79/01/29/552790129.db2.gz YTBYOUNGPXIESD-AWEZNQCLSA-N 1 2 351.794 2.169 20 5 FEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)c(Cl)c1 ZINC000293115271 552790131 /nfs/dbraw/zinc/79/01/31/552790131.db2.gz YTBYOUNGPXIESD-AWEZNQCLSA-N 1 2 351.794 2.169 20 5 FEBDLO C[C@H](Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294372210 552901150 /nfs/dbraw/zinc/90/11/50/552901150.db2.gz QZAPOGNBTKWJKI-ZDUSSCGKSA-N 1 2 369.425 2.282 20 5 FEBDLO C[C@H](Nc1cccc(C[N@H+]2CCNC(=O)C2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294372210 552901151 /nfs/dbraw/zinc/90/11/51/552901151.db2.gz QZAPOGNBTKWJKI-ZDUSSCGKSA-N 1 2 369.425 2.282 20 5 FEBDLO O=C1COc2ccc(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2N1 ZINC000294850746 552938931 /nfs/dbraw/zinc/93/89/31/552938931.db2.gz ITMWKNJVVDYKLJ-UHFFFAOYSA-N 1 2 368.393 2.248 20 5 FEBDLO CCn1cc[nH+]c1CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000294896454 552942104 /nfs/dbraw/zinc/94/21/04/552942104.db2.gz DLEUPLCQYFPCCB-UHFFFAOYSA-N 1 2 360.342 2.420 20 5 FEBDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)S1 ZINC000295098446 552958755 /nfs/dbraw/zinc/95/87/55/552958755.db2.gz XANAIUKYTZCGEM-JTQLQIEISA-N 1 2 368.846 2.497 20 5 FEBDLO CCOc1cc(N2CC[NH+](Cc3cccnc3N)CC2)ccc1[N+](=O)[O-] ZINC000295924419 553076628 /nfs/dbraw/zinc/07/66/28/553076628.db2.gz GPDIPHYPBJDICL-UHFFFAOYSA-N 1 2 357.414 2.293 20 5 FEBDLO CC(C)(C)c1ncc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cn1 ZINC000296046427 553095537 /nfs/dbraw/zinc/09/55/37/553095537.db2.gz PFSYFKBEUDYSLK-UHFFFAOYSA-N 1 2 356.430 2.400 20 5 FEBDLO Cc1c[nH+]ccc1NC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000297863269 553349221 /nfs/dbraw/zinc/34/92/21/553349221.db2.gz ULQXZXWHVBJXRB-UHFFFAOYSA-N 1 2 369.381 2.288 20 5 FEBDLO Cc1cc(N2CCN(C(C)C)C(=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000503279602 561638774 /nfs/dbraw/zinc/63/87/74/561638774.db2.gz ZTULYMHFECFBGN-UHFFFAOYSA-N 1 2 355.398 2.417 20 5 FEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cccc3nsnc32)CC1 ZINC000298082059 553381834 /nfs/dbraw/zinc/38/18/34/553381834.db2.gz LZJVSTBXWWLXOW-UHFFFAOYSA-N 1 2 356.411 2.317 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000299635392 553592570 /nfs/dbraw/zinc/59/25/70/553592570.db2.gz MHQMOHHHENEQNF-UHFFFAOYSA-N 1 2 356.382 2.065 20 5 FEBDLO Cc1c(CO)cc([N+](=O)[O-])c(N2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000301069235 553618923 /nfs/dbraw/zinc/61/89/23/553618923.db2.gz DPZDUDMCWJLZPJ-UHFFFAOYSA-N 1 2 373.369 2.025 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000301178138 553628989 /nfs/dbraw/zinc/62/89/89/553628989.db2.gz LYOBBIFQFJFXDH-INIZCTEOSA-N 1 2 360.458 2.426 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000301205086 553630745 /nfs/dbraw/zinc/63/07/45/553630745.db2.gz RFXFDZLBYZGGGS-OAHLLOKOSA-N 1 2 360.458 2.473 20 5 FEBDLO Cn1c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nc2cccnc21 ZINC000505147176 561666799 /nfs/dbraw/zinc/66/67/99/561666799.db2.gz RUTKZFMGJOBBJT-UHFFFAOYSA-N 1 2 363.337 2.315 20 5 FEBDLO CS(=O)(=O)c1cccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000301906781 553690818 /nfs/dbraw/zinc/69/08/18/553690818.db2.gz ZIZZQZDQBWSHPZ-LBPRGKRZSA-N 1 2 362.411 2.084 20 5 FEBDLO NS(=O)(=O)c1cccc(Sc2[nH+]cc3ccccn32)c1[N+](=O)[O-] ZINC000302013573 553697836 /nfs/dbraw/zinc/69/78/36/553697836.db2.gz DLXZXCPRJQMCBY-UHFFFAOYSA-N 1 2 350.381 2.041 20 5 FEBDLO C[C@H](O)C[NH+]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000302366629 553715476 /nfs/dbraw/zinc/71/54/76/553715476.db2.gz DPGZPMHTPUKGCV-HNNXBMFYSA-N 1 2 369.421 2.329 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cc(NCC4CC4)[nH+]cn3)C2)nc1 ZINC000302796551 553733853 /nfs/dbraw/zinc/73/38/53/553733853.db2.gz PZZYCQWDWZDBJR-CYBMUJFWSA-N 1 2 355.402 2.293 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cc(NCC4CC4)nc[nH+]3)C2)nc1 ZINC000302796551 553733856 /nfs/dbraw/zinc/73/38/56/553733856.db2.gz PZZYCQWDWZDBJR-CYBMUJFWSA-N 1 2 355.402 2.293 20 5 FEBDLO C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000303317189 553744573 /nfs/dbraw/zinc/74/45/73/553744573.db2.gz HAYGWFSHTBXCSZ-AEFFLSMTSA-N 1 2 374.485 2.407 20 5 FEBDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000303317189 553744575 /nfs/dbraw/zinc/74/45/75/553744575.db2.gz HAYGWFSHTBXCSZ-AEFFLSMTSA-N 1 2 374.485 2.407 20 5 FEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000330553490 554137131 /nfs/dbraw/zinc/13/71/31/554137131.db2.gz OCNLWHBGIJVDRE-QWRGUYRKSA-N 1 2 361.851 2.351 20 5 FEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000330553490 554137135 /nfs/dbraw/zinc/13/71/35/554137135.db2.gz OCNLWHBGIJVDRE-QWRGUYRKSA-N 1 2 361.851 2.351 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)n1 ZINC000332205459 554400716 /nfs/dbraw/zinc/40/07/16/554400716.db2.gz FCXRUZWAVDFAAQ-NSHDSACASA-N 1 2 360.418 2.050 20 5 FEBDLO CCOc1cc(N2CC[NH+](Cc3cnc(C)nc3)CC2)ccc1[N+](=O)[O-] ZINC000510760412 561845677 /nfs/dbraw/zinc/84/56/77/561845677.db2.gz BSOQVLKVJOBOED-UHFFFAOYSA-N 1 2 357.414 2.414 20 5 FEBDLO Cn1nc([N+](=O)[O-])cc1-c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000349973044 554752187 /nfs/dbraw/zinc/75/21/87/554752187.db2.gz LBJFTRGCAMELIT-UHFFFAOYSA-N 1 2 351.326 2.290 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)no1 ZINC000360263116 554869429 /nfs/dbraw/zinc/86/94/29/554869429.db2.gz YAUMHVHREJEVBZ-CQSZACIVSA-N 1 2 371.397 2.055 20 5 FEBDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)no1 ZINC000360263116 554869430 /nfs/dbraw/zinc/86/94/30/554869430.db2.gz YAUMHVHREJEVBZ-CQSZACIVSA-N 1 2 371.397 2.055 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000361791071 554934937 /nfs/dbraw/zinc/93/49/37/554934937.db2.gz YALLIDXSKGRQHB-ZDUSSCGKSA-N 1 2 364.427 2.123 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cnn(C)c1C ZINC000362658306 554978758 /nfs/dbraw/zinc/97/87/58/554978758.db2.gz MDASUHWXBSTHJB-INIZCTEOSA-N 1 2 373.413 2.421 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1c1cnn(C)c1C ZINC000362658306 554978760 /nfs/dbraw/zinc/97/87/60/554978760.db2.gz MDASUHWXBSTHJB-INIZCTEOSA-N 1 2 373.413 2.421 20 5 FEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363546917 555133828 /nfs/dbraw/zinc/13/38/28/555133828.db2.gz SGQXGYXJXZCWEA-ZFWWWQNUSA-N 1 2 365.455 2.009 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000363978238 555225991 /nfs/dbraw/zinc/22/59/91/555225991.db2.gz MCFJYBAFALRAPN-ZDUSSCGKSA-N 1 2 364.427 2.097 20 5 FEBDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000364067490 555243675 /nfs/dbraw/zinc/24/36/75/555243675.db2.gz GLVLFIHRIWWAAU-SFHVURJKSA-N 1 2 365.393 2.224 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(n2cccn2)CC1 ZINC000365160142 555498574 /nfs/dbraw/zinc/49/85/74/555498574.db2.gz OOQMKOKOYGQTSB-UHFFFAOYSA-N 1 2 359.386 2.076 20 5 FEBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000365304635 555537362 /nfs/dbraw/zinc/53/73/62/555537362.db2.gz KILPXNAKEBCRSU-UHFFFAOYSA-N 1 2 354.370 2.276 20 5 FEBDLO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000365834294 555678524 /nfs/dbraw/zinc/67/85/24/555678524.db2.gz GPXGTNXJKSCSGS-MRXNPFEDSA-N 1 2 356.361 2.442 20 5 FEBDLO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000365834294 555678527 /nfs/dbraw/zinc/67/85/27/555678527.db2.gz GPXGTNXJKSCSGS-MRXNPFEDSA-N 1 2 356.361 2.442 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(Oc2cnc3ccccc3n2)CC1 ZINC000365863344 555686770 /nfs/dbraw/zinc/68/67/70/555686770.db2.gz QBUCQQSIFUIVDS-UHFFFAOYSA-N 1 2 368.397 2.315 20 5 FEBDLO COC(=O)c1cc(C)nc(N2CCCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000367443884 556050710 /nfs/dbraw/zinc/05/07/10/556050710.db2.gz WSEOJFWDQOCIOD-UHFFFAOYSA-N 1 2 371.397 2.197 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCN4CCOC[C@@H]4C3)cs2)c1 ZINC000368285814 556268113 /nfs/dbraw/zinc/26/81/13/556268113.db2.gz XJRNPXIYAWDKHB-INIZCTEOSA-N 1 2 360.439 2.235 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCN4CCOC[C@@H]4C3)cs2)c1 ZINC000368285814 556268114 /nfs/dbraw/zinc/26/81/14/556268114.db2.gz XJRNPXIYAWDKHB-INIZCTEOSA-N 1 2 360.439 2.235 20 5 FEBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000368966013 556461702 /nfs/dbraw/zinc/46/17/02/556461702.db2.gz MYPCKIZHRNQTII-IUPBHXKESA-N 1 2 355.341 2.282 20 5 FEBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000368966013 556461706 /nfs/dbraw/zinc/46/17/06/556461706.db2.gz MYPCKIZHRNQTII-IUPBHXKESA-N 1 2 355.341 2.282 20 5 FEBDLO Cc1cc(F)cc([C@]2(F)CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000370238687 556819379 /nfs/dbraw/zinc/81/93/79/556819379.db2.gz NGKUJOLKFORXBM-IRXDYDNUSA-N 1 2 366.368 2.170 20 5 FEBDLO Cc1cc(F)cc([C@]2(F)CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000370238687 556819382 /nfs/dbraw/zinc/81/93/82/556819382.db2.gz NGKUJOLKFORXBM-IRXDYDNUSA-N 1 2 366.368 2.170 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370896458 557007176 /nfs/dbraw/zinc/00/71/76/557007176.db2.gz AHGUIXUHFJRDLT-MRXNPFEDSA-N 1 2 374.441 2.319 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370896458 557007180 /nfs/dbraw/zinc/00/71/80/557007180.db2.gz AHGUIXUHFJRDLT-MRXNPFEDSA-N 1 2 374.441 2.319 20 5 FEBDLO Cc1c[nH+]c2cc(C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)ccn12 ZINC000517173109 562078057 /nfs/dbraw/zinc/07/80/57/562078057.db2.gz UBMAXMRIIOLHMG-UHFFFAOYSA-N 1 2 354.370 2.225 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000371288980 557132879 /nfs/dbraw/zinc/13/28/79/557132879.db2.gz GXAZEROXHMPHNV-CQSZACIVSA-N 1 2 364.427 2.097 20 5 FEBDLO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000372107389 557381415 /nfs/dbraw/zinc/38/14/15/557381415.db2.gz IXTSWLUWUVQDBV-IXDOHACOSA-N 1 2 369.425 2.242 20 5 FEBDLO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000372107389 557381416 /nfs/dbraw/zinc/38/14/16/557381416.db2.gz IXTSWLUWUVQDBV-IXDOHACOSA-N 1 2 369.425 2.242 20 5 FEBDLO O=[N+]([O-])c1cnn([C@@H]2CCCN(Cc3[nH+]ccn3CC(F)(F)F)C2)c1 ZINC000372359384 557449623 /nfs/dbraw/zinc/44/96/23/557449623.db2.gz UYZVOUDACBCYMJ-LLVKDONJSA-N 1 2 358.324 2.387 20 5 FEBDLO COc1ccc(OCC[N@@H+]2CCc3ccccc3[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000372627969 557524810 /nfs/dbraw/zinc/52/48/10/557524810.db2.gz RSASJRXVYNUQPX-SFHVURJKSA-N 1 2 371.393 2.067 20 5 FEBDLO COc1ccc(OCC[N@H+]2CCc3ccccc3[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000372627969 557524812 /nfs/dbraw/zinc/52/48/12/557524812.db2.gz RSASJRXVYNUQPX-SFHVURJKSA-N 1 2 371.393 2.067 20 5 FEBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000373675336 557736715 /nfs/dbraw/zinc/73/67/15/557736715.db2.gz RTLQZUMTZUIKFJ-PIGZYNQJSA-N 1 2 373.369 2.280 20 5 FEBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000373675336 557736718 /nfs/dbraw/zinc/73/67/18/557736718.db2.gz RTLQZUMTZUIKFJ-PIGZYNQJSA-N 1 2 373.369 2.280 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373939454 557791934 /nfs/dbraw/zinc/79/19/34/557791934.db2.gz SEPSHNFLVFESTQ-ZDUSSCGKSA-N 1 2 371.397 2.212 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373939454 557791936 /nfs/dbraw/zinc/79/19/36/557791936.db2.gz SEPSHNFLVFESTQ-ZDUSSCGKSA-N 1 2 371.397 2.212 20 5 FEBDLO O=c1[nH]c(NCc2ccccc2-n2cc[nH+]c2)nc2ccc([N+](=O)[O-])cc21 ZINC000373948167 557793873 /nfs/dbraw/zinc/79/38/73/557793873.db2.gz VZTHMVLMTVBCBS-UHFFFAOYSA-N 1 2 362.349 3.041 20 5 FEBDLO C[C@H](C(=O)N1CC[NH2+][C@H](c2ccncc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000374383996 557876041 /nfs/dbraw/zinc/87/60/41/557876041.db2.gz AJKSYYVBKMIVBA-SJCJKPOMSA-N 1 2 358.373 2.406 20 5 FEBDLO Cn1cc([C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c2ccccc2)cn1 ZINC000374612536 557906777 /nfs/dbraw/zinc/90/67/77/557906777.db2.gz MGMBVOBCSMEBOJ-SFHVURJKSA-N 1 2 365.393 2.306 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc([N+](=O)[O-])c1F ZINC000374751714 557925631 /nfs/dbraw/zinc/92/56/31/557925631.db2.gz IABJQYOQYRIHMN-NSHDSACASA-N 1 2 354.363 2.291 20 5 FEBDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000375989895 558110435 /nfs/dbraw/zinc/11/04/35/558110435.db2.gz VDECHBFXIKWKND-KRWDZBQOSA-N 1 2 369.425 2.445 20 5 FEBDLO Cn1nccc1[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000375989895 558110437 /nfs/dbraw/zinc/11/04/37/558110437.db2.gz VDECHBFXIKWKND-KRWDZBQOSA-N 1 2 369.425 2.445 20 5 FEBDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNc1cc(F)ccc1[N+](=O)[O-] ZINC000378016864 558463948 /nfs/dbraw/zinc/46/39/48/558463948.db2.gz QQFNKDUJNCDUIM-STQMWFEESA-N 1 2 351.357 2.492 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CCC2 ZINC000378252526 558512227 /nfs/dbraw/zinc/51/22/27/558512227.db2.gz OQNYHAINSJBATJ-AWEZNQCLSA-N 1 2 364.427 2.097 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000378384670 558545122 /nfs/dbraw/zinc/54/51/22/558545122.db2.gz OIOZQYHJOHBAHT-UHFFFAOYSA-N 1 2 368.397 2.207 20 5 FEBDLO Cc1c(F)cc(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000408306358 558665348 /nfs/dbraw/zinc/66/53/48/558665348.db2.gz CPHZNOSSGPLFQR-WCQYABFASA-N 1 2 371.434 2.290 20 5 FEBDLO Cc1c(F)cc(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000408306358 558665349 /nfs/dbraw/zinc/66/53/49/558665349.db2.gz CPHZNOSSGPLFQR-WCQYABFASA-N 1 2 371.434 2.290 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC(n3cc[nH+]c3)CC2)c1F ZINC000411771899 558960220 /nfs/dbraw/zinc/96/02/20/558960220.db2.gz PLILWCQBHZIRHB-UHFFFAOYSA-N 1 2 362.361 2.345 20 5 FEBDLO Cc1cc(N[C@H]2C[C@H]3CCCCN3C2=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413372352 559102824 /nfs/dbraw/zinc/10/28/24/559102824.db2.gz HKVVMVDRWZXCFO-CVEARBPZSA-N 1 2 367.409 2.347 20 5 FEBDLO Cc1cc(N2CC[C@@H](C(=O)N(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413515408 559113543 /nfs/dbraw/zinc/11/35/43/559113543.db2.gz NBULUVITZVOVEJ-CQSZACIVSA-N 1 2 355.398 2.275 20 5 FEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413969658 559144184 /nfs/dbraw/zinc/14/41/84/559144184.db2.gz VNARXSHBLUVEET-ZDUSSCGKSA-N 1 2 367.471 2.302 20 5 FEBDLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000416302697 559304202 /nfs/dbraw/zinc/30/42/02/559304202.db2.gz WWFIKXVHUZLCTB-RYUDHWBXSA-N 1 2 363.439 2.337 20 5 FEBDLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000416302697 559304203 /nfs/dbraw/zinc/30/42/03/559304203.db2.gz WWFIKXVHUZLCTB-RYUDHWBXSA-N 1 2 363.439 2.337 20 5 FEBDLO C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2cc(F)ccc2C[NH2+]1 ZINC000420463724 559488829 /nfs/dbraw/zinc/48/88/29/559488829.db2.gz RYWGZSUQRBBTAO-LLVKDONJSA-N 1 2 365.386 2.421 20 5 FEBDLO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000420588668 559493186 /nfs/dbraw/zinc/49/31/86/559493186.db2.gz SFGKLYQXSQLCNA-KRWDZBQOSA-N 1 2 370.409 2.179 20 5 FEBDLO Cc1cc(NC[C@H]2CC[C@H](C(N)=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420612053 559493882 /nfs/dbraw/zinc/49/38/82/559493882.db2.gz SXQRXBPKSYXNMC-HDJSIYSDSA-N 1 2 369.425 2.486 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](O)CC12CCC2 ZINC000422027289 559561495 /nfs/dbraw/zinc/56/14/95/559561495.db2.gz UYRKCVYOJBXQEI-AWEZNQCLSA-N 1 2 356.382 2.300 20 5 FEBDLO COCC(C)(C)[NH+]1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000425279052 559694541 /nfs/dbraw/zinc/69/45/41/559694541.db2.gz KYTRBGRKDQVAHP-UHFFFAOYSA-N 1 2 373.251 2.299 20 5 FEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000425368049 559698497 /nfs/dbraw/zinc/69/84/97/559698497.db2.gz DGXMVJZPUFLREU-KRWDZBQOSA-N 1 2 350.415 2.348 20 5 FEBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425420157 559701347 /nfs/dbraw/zinc/70/13/47/559701347.db2.gz KLADDXAWSAADDU-NEPJUHHUSA-N 1 2 354.204 2.210 20 5 FEBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425420157 559701348 /nfs/dbraw/zinc/70/13/48/559701348.db2.gz KLADDXAWSAADDU-NEPJUHHUSA-N 1 2 354.204 2.210 20 5 FEBDLO CC[C@@H]1C[N@H+](CCNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000426189274 559731382 /nfs/dbraw/zinc/73/13/82/559731382.db2.gz YTRBSYTVGIMVST-ZIAGYGMSSA-N 1 2 350.419 2.066 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000426189274 559731383 /nfs/dbraw/zinc/73/13/83/559731383.db2.gz YTRBSYTVGIMVST-ZIAGYGMSSA-N 1 2 350.419 2.066 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)n1 ZINC000427464485 559755943 /nfs/dbraw/zinc/75/59/43/559755943.db2.gz WPRQLRXHGURJEH-ZDUSSCGKSA-N 1 2 373.413 2.457 20 5 FEBDLO COc1ccc(C[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)cc1[N+](=O)[O-] ZINC000428697606 559781301 /nfs/dbraw/zinc/78/13/01/559781301.db2.gz DQMXJDSMMIBJBI-UHFFFAOYSA-N 1 2 368.455 2.394 20 5 FEBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000429873181 559807531 /nfs/dbraw/zinc/80/75/31/559807531.db2.gz XTHMJNFYMKBJEP-UHFFFAOYSA-N 1 2 355.358 2.087 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000439093786 559988333 /nfs/dbraw/zinc/98/83/33/559988333.db2.gz FMRUZEAIKARUKM-UHFFFAOYSA-N 1 2 357.370 2.252 20 5 FEBDLO Cc1ccc(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c(C)[nH+]1 ZINC000446438885 560145999 /nfs/dbraw/zinc/14/59/99/560145999.db2.gz MZRJTOBZPDLDBH-UHFFFAOYSA-N 1 2 360.395 2.436 20 5 FEBDLO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC[NH+](CC2CC2)CC1 ZINC000448743651 560197488 /nfs/dbraw/zinc/19/74/88/560197488.db2.gz INWMKCJVQURUFV-UHFFFAOYSA-N 1 2 355.398 2.153 20 5 FEBDLO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450224291 560254486 /nfs/dbraw/zinc/25/44/86/560254486.db2.gz UHKYYXNFKYSJHG-XKQJLSEDSA-N 1 2 368.393 2.468 20 5 FEBDLO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450633788 560268657 /nfs/dbraw/zinc/26/86/57/560268657.db2.gz CPOSZYUDCCMRPY-PBHICJAKSA-N 1 2 356.382 2.468 20 5 FEBDLO CO[C@H]1COCC[C@H]1CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450687864 560270164 /nfs/dbraw/zinc/27/01/64/560270164.db2.gz BMRHVRWWYMDDLT-HOCLYGCPSA-N 1 2 358.398 2.246 20 5 FEBDLO CCN(C[C@@H](O)C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450797395 560273617 /nfs/dbraw/zinc/27/36/17/560273617.db2.gz NDSSCLJMEZQASB-CYBMUJFWSA-N 1 2 372.303 2.166 20 5 FEBDLO COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451004248 560281976 /nfs/dbraw/zinc/28/19/76/560281976.db2.gz VNEAIQULMHIBOD-LRDDRELGSA-N 1 2 372.381 2.194 20 5 FEBDLO CO[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000451078506 560285876 /nfs/dbraw/zinc/28/58/76/560285876.db2.gz FFWQGHKOWLZMKN-ZDUSSCGKSA-N 1 2 372.303 2.478 20 5 FEBDLO CC(C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1COC1 ZINC000451121225 560288134 /nfs/dbraw/zinc/28/81/34/560288134.db2.gz PXDJVHGCJWECGP-UHFFFAOYSA-N 1 2 372.219 2.405 20 5 FEBDLO CC(C)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1COC1 ZINC000451121225 560288135 /nfs/dbraw/zinc/28/81/35/560288135.db2.gz PXDJVHGCJWECGP-UHFFFAOYSA-N 1 2 372.219 2.405 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(C)(C)c1nnc2n1CCCC2 ZINC000451401011 560304463 /nfs/dbraw/zinc/30/44/63/560304463.db2.gz CSOHEYJXLRGZJV-UHFFFAOYSA-N 1 2 372.429 2.294 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451904748 560336155 /nfs/dbraw/zinc/33/61/55/560336155.db2.gz KITIJDAIZQKCAY-YGRLFVJLSA-N 1 2 361.320 2.087 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451904748 560336156 /nfs/dbraw/zinc/33/61/56/560336156.db2.gz KITIJDAIZQKCAY-YGRLFVJLSA-N 1 2 361.320 2.087 20 5 FEBDLO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c2[nH+]ccn21 ZINC000451934537 560339049 /nfs/dbraw/zinc/33/90/49/560339049.db2.gz DBHOPFFJAJGTAB-CMPLNLGQSA-N 1 2 373.394 2.324 20 5 FEBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000451936339 560339136 /nfs/dbraw/zinc/33/91/36/560339136.db2.gz UJXDDQNPPVCNOW-LLVKDONJSA-N 1 2 361.851 2.353 20 5 FEBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000451936339 560339137 /nfs/dbraw/zinc/33/91/37/560339137.db2.gz UJXDDQNPPVCNOW-LLVKDONJSA-N 1 2 361.851 2.353 20 5 FEBDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1 ZINC000451967442 560341269 /nfs/dbraw/zinc/34/12/69/560341269.db2.gz HBYSOJISWFLXOI-AWEZNQCLSA-N 1 2 355.460 2.316 20 5 FEBDLO COC(=O)c1ccccc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453583360 560389683 /nfs/dbraw/zinc/38/96/83/560389683.db2.gz XVHZHRQBNQIWBO-UHFFFAOYSA-N 1 2 356.382 2.099 20 5 FEBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456850084 560534399 /nfs/dbraw/zinc/53/43/99/560534399.db2.gz VVULBBBNMAXOMO-AWEZNQCLSA-N 1 2 360.418 2.155 20 5 FEBDLO CCOC(=O)[C@@H](CC(C)C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459515385 560691166 /nfs/dbraw/zinc/69/11/66/560691166.db2.gz UPMVORFAILXRPZ-OAHLLOKOSA-N 1 2 350.419 2.090 20 5 FEBDLO CCOC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000459726556 560704891 /nfs/dbraw/zinc/70/48/91/560704891.db2.gz XXGHNYWBACLOQE-LBPRGKRZSA-N 1 2 365.386 2.153 20 5 FEBDLO CCOC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000459726556 560704892 /nfs/dbraw/zinc/70/48/92/560704892.db2.gz XXGHNYWBACLOQE-LBPRGKRZSA-N 1 2 365.386 2.153 20 5 FEBDLO CCc1[nH+]c2ccccc2n1Cc1noc(-c2c([N+](=O)[O-])cnn2C)n1 ZINC000460746843 560750585 /nfs/dbraw/zinc/75/05/85/560750585.db2.gz JWOJLEDFMBBPCF-UHFFFAOYSA-N 1 2 353.342 2.339 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000463444697 560815047 /nfs/dbraw/zinc/81/50/47/560815047.db2.gz AQZYDDQSACYPCI-HXUWFJFHSA-N 1 2 369.421 2.478 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000463444697 560815048 /nfs/dbraw/zinc/81/50/48/560815048.db2.gz AQZYDDQSACYPCI-HXUWFJFHSA-N 1 2 369.421 2.478 20 5 FEBDLO O=[N+]([O-])c1ccccc1CCNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000467976835 560920490 /nfs/dbraw/zinc/92/04/90/560920490.db2.gz HKBAYRHQVVGXBV-HNNXBMFYSA-N 1 2 357.414 2.391 20 5 FEBDLO O=[N+]([O-])c1ccccc1CCNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000467976835 560920491 /nfs/dbraw/zinc/92/04/91/560920491.db2.gz HKBAYRHQVVGXBV-HNNXBMFYSA-N 1 2 357.414 2.391 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1c2ccccc2C[C@@H]1O ZINC000472340814 561024601 /nfs/dbraw/zinc/02/46/01/561024601.db2.gz FTMGLNFRQQSYSJ-VQTJNVASSA-N 1 2 369.421 2.497 20 5 FEBDLO COC(=O)COc1ccc(C[N@@H+]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000475086327 561089843 /nfs/dbraw/zinc/08/98/43/561089843.db2.gz HISUFYNIYFSHNC-INIZCTEOSA-N 1 2 352.387 2.003 20 5 FEBDLO COC(=O)COc1ccc(C[N@H+]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000475086327 561089844 /nfs/dbraw/zinc/08/98/44/561089844.db2.gz HISUFYNIYFSHNC-INIZCTEOSA-N 1 2 352.387 2.003 20 5 FEBDLO COc1c(C(=O)NCC[N@@H+]2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000475118451 561090885 /nfs/dbraw/zinc/09/08/85/561090885.db2.gz NRTDSGUWDTYRME-UHFFFAOYSA-N 1 2 361.423 2.453 20 5 FEBDLO COc1c(C(=O)NCC[N@H+]2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000475118451 561090886 /nfs/dbraw/zinc/09/08/86/561090886.db2.gz NRTDSGUWDTYRME-UHFFFAOYSA-N 1 2 361.423 2.453 20 5 FEBDLO C[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)Cn1cc[nH+]c1 ZINC000530849405 562426183 /nfs/dbraw/zinc/42/61/83/562426183.db2.gz XDFBEBJRALRCHC-HNNXBMFYSA-N 1 2 371.441 2.460 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000532961681 562494054 /nfs/dbraw/zinc/49/40/54/562494054.db2.gz UIOLNSOVGQIHKV-TZMCWYRMSA-N 1 2 361.320 2.229 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000532961681 562494055 /nfs/dbraw/zinc/49/40/55/562494055.db2.gz UIOLNSOVGQIHKV-TZMCWYRMSA-N 1 2 361.320 2.229 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000533303345 562504585 /nfs/dbraw/zinc/50/45/85/562504585.db2.gz PUUVBSISVUVZBJ-CZUORRHYSA-N 1 2 360.414 2.009 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000533303345 562504586 /nfs/dbraw/zinc/50/45/86/562504586.db2.gz PUUVBSISVUVZBJ-CZUORRHYSA-N 1 2 360.414 2.009 20 5 FEBDLO COc1ccc(CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000534446442 562534274 /nfs/dbraw/zinc/53/42/74/562534274.db2.gz KBQAFVBFLAEMLY-ZDUSSCGKSA-N 1 2 359.386 2.036 20 5 FEBDLO CCc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000570511788 568489605 /nfs/dbraw/zinc/48/96/05/568489605.db2.gz DBUUFTUESVMAKA-INIZCTEOSA-N 1 2 355.460 2.118 20 5 FEBDLO CCc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000570511788 568489607 /nfs/dbraw/zinc/48/96/07/568489607.db2.gz DBUUFTUESVMAKA-INIZCTEOSA-N 1 2 355.460 2.118 20 5 FEBDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809829943 674514100 /nfs/dbraw/zinc/51/41/00/674514100.db2.gz OUXGMNFVWKLQOG-RKDXNWHRSA-N 1 2 365.814 2.100 20 5 FEBDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809829943 674514101 /nfs/dbraw/zinc/51/41/01/674514101.db2.gz OUXGMNFVWKLQOG-RKDXNWHRSA-N 1 2 365.814 2.100 20 5 FEBDLO Cn1ccnc1[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000565780628 675151153 /nfs/dbraw/zinc/15/11/53/675151153.db2.gz DMMVSNDNVLDEKG-ODCWNRFASA-N 1 2 362.455 2.309 20 5 FEBDLO Cc1cccn2cc(CCNS(=O)(=O)c3csc([N+](=O)[O-])c3)[nH+]c12 ZINC000119912327 671912157 /nfs/dbraw/zinc/91/21/57/671912157.db2.gz VAORUKXTAWFXNW-UHFFFAOYSA-N 1 2 366.424 2.133 20 5 FEBDLO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000170953023 672327671 /nfs/dbraw/zinc/32/76/71/672327671.db2.gz UPUMYLTWIVULOY-GFCCVEGCSA-N 1 2 353.423 2.374 20 5 FEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000595496296 673258032 /nfs/dbraw/zinc/25/80/32/673258032.db2.gz GLGJEISUDSJFSC-GFCCVEGCSA-N 1 2 371.434 2.028 20 5 FEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000595496296 673258035 /nfs/dbraw/zinc/25/80/35/673258035.db2.gz GLGJEISUDSJFSC-GFCCVEGCSA-N 1 2 371.434 2.028 20 5 FEBDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@](C)(C(F)F)O1 ZINC000595921314 673339987 /nfs/dbraw/zinc/33/99/87/673339987.db2.gz XGQISLCOIUKQAS-KFNAQCHYSA-N 1 2 360.357 2.079 20 5 FEBDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@](C)(C(F)F)O1 ZINC000595921314 673339990 /nfs/dbraw/zinc/33/99/90/673339990.db2.gz XGQISLCOIUKQAS-KFNAQCHYSA-N 1 2 360.357 2.079 20 5 FEBDLO CSc1ccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000597709030 673501130 /nfs/dbraw/zinc/50/11/30/673501130.db2.gz GCNGIWQGBMUEFX-AWEZNQCLSA-N 1 2 365.455 2.254 20 5 FEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000598608135 673589430 /nfs/dbraw/zinc/58/94/30/673589430.db2.gz SQWBIVFVBPIGEX-OLZOCXBDSA-N 1 2 355.460 2.315 20 5 FEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000598608135 673589434 /nfs/dbraw/zinc/58/94/34/673589434.db2.gz SQWBIVFVBPIGEX-OLZOCXBDSA-N 1 2 355.460 2.315 20 5 FEBDLO CN(CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000599095123 673632853 /nfs/dbraw/zinc/63/28/53/673632853.db2.gz SDCJDFWFJFLPNO-HNNXBMFYSA-N 1 2 353.373 2.204 20 5 FEBDLO Cc1cc(NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000599129824 673635327 /nfs/dbraw/zinc/63/53/27/673635327.db2.gz IILBRCSMIYHCEG-KRWDZBQOSA-N 1 2 353.394 2.070 20 5 FEBDLO Cc1cc(NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000599129824 673635328 /nfs/dbraw/zinc/63/53/28/673635328.db2.gz IILBRCSMIYHCEG-KRWDZBQOSA-N 1 2 353.394 2.070 20 5 FEBDLO CCO[C@@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C1CC1 ZINC000599266604 673650585 /nfs/dbraw/zinc/65/05/85/673650585.db2.gz KGUWJOHGZQVWII-ZDUSSCGKSA-N 1 2 353.444 2.229 20 5 FEBDLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000741146219 673672809 /nfs/dbraw/zinc/67/28/09/673672809.db2.gz DSAPFJNZOCPWIS-ZDUSSCGKSA-N 1 2 355.778 2.214 20 5 FEBDLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000741146219 673672811 /nfs/dbraw/zinc/67/28/11/673672811.db2.gz DSAPFJNZOCPWIS-ZDUSSCGKSA-N 1 2 355.778 2.214 20 5 FEBDLO CCOC(=O)CC(C)(C)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544132788 673693084 /nfs/dbraw/zinc/69/30/84/673693084.db2.gz NZAQNTKXFRRZFR-UHFFFAOYSA-N 1 2 372.443 2.032 20 5 FEBDLO CCOC(=O)CC(C)(C)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544132788 673693088 /nfs/dbraw/zinc/69/30/88/673693088.db2.gz NZAQNTKXFRRZFR-UHFFFAOYSA-N 1 2 372.443 2.032 20 5 FEBDLO CO[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000823326420 675544948 /nfs/dbraw/zinc/54/49/48/675544948.db2.gz CQSAPYRKNRAWDX-GFCCVEGCSA-N 1 2 358.276 2.088 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)NCC[N@H+]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000762550482 680753616 /nfs/dbraw/zinc/75/36/16/680753616.db2.gz BVSWIYDAZWFPBC-UHFFFAOYSA-N 1 2 373.862 2.487 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)NCC[N@@H+]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000762550482 680753617 /nfs/dbraw/zinc/75/36/17/680753617.db2.gz BVSWIYDAZWFPBC-UHFFFAOYSA-N 1 2 373.862 2.487 20 5 FEBDLO O=C(NCC1CC[NH+](Cc2ccc(Cl)cc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001399652 680460333 /nfs/dbraw/zinc/46/03/33/680460333.db2.gz MBAFHZDVKOJFKR-GDBMZVCRSA-N 1 2 369.824 2.473 20 5 FEBDLO O=C(NC1CC[NH+](Cc2nsc3ccccc32)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002787840 680508319 /nfs/dbraw/zinc/50/83/19/680508319.db2.gz KREIFUGEUAPPSZ-UKRRQHHQSA-N 1 2 360.439 2.042 20 5 FEBDLO C[N@@H+]1CCc2c(cccc2NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768861424 680962068 /nfs/dbraw/zinc/96/20/68/680962068.db2.gz GFJCGUQEPIPUPA-UHFFFAOYSA-N 1 2 353.425 2.445 20 5 FEBDLO C[N@H+]1CCc2c(cccc2NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768861424 680962069 /nfs/dbraw/zinc/96/20/69/680962069.db2.gz GFJCGUQEPIPUPA-UHFFFAOYSA-N 1 2 353.425 2.445 20 5 FEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@@H]1C ZINC000778034164 681561472 /nfs/dbraw/zinc/56/14/72/681561472.db2.gz ZYHDVVJMZLGELS-RYUDHWBXSA-N 1 2 359.423 2.146 20 5 FEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@@H]1C ZINC000778034164 681561479 /nfs/dbraw/zinc/56/14/79/681561479.db2.gz ZYHDVVJMZLGELS-RYUDHWBXSA-N 1 2 359.423 2.146 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCNc2cccc[nH+]2)c1 ZINC000779910435 681770141 /nfs/dbraw/zinc/77/01/41/681770141.db2.gz NKSODFUSJZPPOZ-UHFFFAOYSA-N 1 2 370.818 2.342 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000916619251 685526255 /nfs/dbraw/zinc/52/62/55/685526255.db2.gz KWNFZTLOXHHNBA-CYBMUJFWSA-N 1 2 350.419 2.066 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000916619251 685526256 /nfs/dbraw/zinc/52/62/56/685526256.db2.gz KWNFZTLOXHHNBA-CYBMUJFWSA-N 1 2 350.419 2.066 20 5 FEBDLO COC(=O)[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)[C@@H]1C ZINC000787237010 682443942 /nfs/dbraw/zinc/44/39/42/682443942.db2.gz FAEJLGIXVCQICD-SKDRFNHKSA-N 1 2 352.778 2.439 20 5 FEBDLO COC(=O)[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)[C@@H]1C ZINC000787237010 682443944 /nfs/dbraw/zinc/44/39/44/682443944.db2.gz FAEJLGIXVCQICD-SKDRFNHKSA-N 1 2 352.778 2.439 20 5 FEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000789086835 682578211 /nfs/dbraw/zinc/57/82/11/682578211.db2.gz VTFFMIHIJPUTEI-LBPRGKRZSA-N 1 2 370.837 2.110 20 5 FEBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000790944100 682714888 /nfs/dbraw/zinc/71/48/88/682714888.db2.gz WASSUHLQWPPFIK-SNVBAGLBSA-N 1 2 352.753 2.258 20 5 FEBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCCc1c[nH+]cn1C ZINC000793253400 682875635 /nfs/dbraw/zinc/87/56/35/682875635.db2.gz QNFRTRVSIMZGAQ-UHFFFAOYSA-N 1 2 365.411 2.466 20 5 FEBDLO Cn1c[nH+]cc1CCOC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000793258703 682875908 /nfs/dbraw/zinc/87/59/08/682875908.db2.gz ONRPJVFEUHXSOL-UHFFFAOYSA-N 1 2 354.160 2.490 20 5 FEBDLO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857978577 682929610 /nfs/dbraw/zinc/92/96/10/682929610.db2.gz ORZYABVAXZWOEZ-LLVKDONJSA-N 1 2 363.761 2.278 20 5 FEBDLO CNC(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000930726619 683777222 /nfs/dbraw/zinc/77/72/22/683777222.db2.gz RISCIECODDCQCY-UHFFFAOYSA-N 1 2 371.235 2.251 20 5 FEBDLO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000924241333 684423226 /nfs/dbraw/zinc/42/32/26/684423226.db2.gz UWVMXACUFAXNQS-BETUJISGSA-N 1 2 354.790 2.197 20 5 FEBDLO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000924241333 684423228 /nfs/dbraw/zinc/42/32/28/684423228.db2.gz UWVMXACUFAXNQS-BETUJISGSA-N 1 2 354.790 2.197 20 5 FEBDLO CSC1CC[NH+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000872628847 684992166 /nfs/dbraw/zinc/99/21/66/684992166.db2.gz QBKWRCYSDWWNIZ-INIZCTEOSA-N 1 2 351.428 2.317 20 5 FEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000878255190 686552877 /nfs/dbraw/zinc/55/28/77/686552877.db2.gz DOMIAUOGILBHLT-GFCCVEGCSA-N 1 2 353.423 2.041 20 5 FEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000878255190 686552882 /nfs/dbraw/zinc/55/28/82/686552882.db2.gz DOMIAUOGILBHLT-GFCCVEGCSA-N 1 2 353.423 2.041 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1 ZINC000886814000 688318235 /nfs/dbraw/zinc/31/82/35/688318235.db2.gz ZNNRYXQHCROETA-CQSZACIVSA-N 1 2 362.304 2.128 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1 ZINC000886814000 688318242 /nfs/dbraw/zinc/31/82/42/688318242.db2.gz ZNNRYXQHCROETA-CQSZACIVSA-N 1 2 362.304 2.128 20 5 FEBDLO COc1c(O)ccc(C[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000894123616 689471331 /nfs/dbraw/zinc/47/13/31/689471331.db2.gz CAKCWCMFEITPBM-LBPRGKRZSA-N 1 2 352.387 2.079 20 5 FEBDLO COc1c(O)ccc(C[N@H+]2C[C@H](C)OC3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000894123616 689471334 /nfs/dbraw/zinc/47/13/34/689471334.db2.gz CAKCWCMFEITPBM-LBPRGKRZSA-N 1 2 352.387 2.079 20 5 FEBDLO Cn1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c(I)n1 ZINC000894188168 689483031 /nfs/dbraw/zinc/48/30/31/689483031.db2.gz RXCRZCSZJXSYIH-UHFFFAOYSA-N 1 2 372.166 2.223 20 5 FEBDLO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000900868721 690576972 /nfs/dbraw/zinc/57/69/72/690576972.db2.gz ZPZRTIWYSZHWOI-LBPRGKRZSA-N 1 2 371.796 2.324 20 5 FEBDLO CS(=O)(=O)c1cccc([C@H]([NH2+]CC[N+](=O)[O-])c2ccc(F)cc2)c1 ZINC000905139455 691072703 /nfs/dbraw/zinc/07/27/03/691072703.db2.gz SQRAWXHHTQJHCA-MRXNPFEDSA-N 1 2 352.387 2.185 20 5 FEBDLO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000908533459 691694279 /nfs/dbraw/zinc/69/42/79/691694279.db2.gz MTHALUNMROHIID-GFCCVEGCSA-N 1 2 371.796 2.324 20 5 FEBDLO CCOC(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000009998437 539510714 /nfs/dbraw/zinc/51/07/14/539510714.db2.gz XIRLVHVQDCLZPN-UHFFFAOYSA-N 1 2 369.805 2.462 20 5 FEBDLO Cc1[nH]c2ccc(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)cc2[nH+]1 ZINC000010657116 539519381 /nfs/dbraw/zinc/51/93/81/539519381.db2.gz HYTBRIWDZYKEJK-UHFFFAOYSA-N 1 2 353.338 2.148 20 5 FEBDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000012485790 539562590 /nfs/dbraw/zinc/56/25/90/539562590.db2.gz HQGPGHZZOFINRG-UHFFFAOYSA-N 1 2 373.804 2.252 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000043149520 540092430 /nfs/dbraw/zinc/09/24/30/540092430.db2.gz SRWWEWLIPKDFMH-UHFFFAOYSA-N 1 2 371.397 2.457 20 5 FEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000043269375 540094852 /nfs/dbraw/zinc/09/48/52/540094852.db2.gz JHCLNJSXLUNODJ-HNNXBMFYSA-N 1 2 374.788 2.084 20 5 FEBDLO Cc1ccc(NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000043148059 540091247 /nfs/dbraw/zinc/09/12/47/540091247.db2.gz SNASOSIIUMVTSC-UHFFFAOYSA-N 1 2 371.397 2.457 20 5 FEBDLO O=C(Cc1ccccc1)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046068249 540240828 /nfs/dbraw/zinc/24/08/28/540240828.db2.gz ZFGWDFLOVKECRV-UHFFFAOYSA-N 1 2 369.421 2.361 20 5 FEBDLO O=C(COc1cccc([N+](=O)[O-])c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046620380 540264121 /nfs/dbraw/zinc/26/41/21/540264121.db2.gz OLIRGUKMIKZEBT-UHFFFAOYSA-N 1 2 356.382 2.154 20 5 FEBDLO COc1cccc(NC(=O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000047745456 540326895 /nfs/dbraw/zinc/32/68/95/540326895.db2.gz PWIGHKDHAKHTGR-UHFFFAOYSA-N 1 2 370.409 2.364 20 5 FEBDLO O=C(CCOc1ccccc1[N+](=O)[O-])NCCc1cn2ccccc2[nH+]1 ZINC000047623875 540321375 /nfs/dbraw/zinc/32/13/75/540321375.db2.gz OLEVPTQFJQJLAA-UHFFFAOYSA-N 1 2 354.366 2.370 20 5 FEBDLO O=C(NCCn1cc[nH+]c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000048141967 540347442 /nfs/dbraw/zinc/34/74/42/540347442.db2.gz FKDLAACFBFBZNY-UHFFFAOYSA-N 1 2 358.276 2.162 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000066327386 541302621 /nfs/dbraw/zinc/30/26/21/541302621.db2.gz YFLPKTPNPPDYMW-ZDUSSCGKSA-N 1 2 367.452 2.209 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000066327386 541302625 /nfs/dbraw/zinc/30/26/25/541302625.db2.gz YFLPKTPNPPDYMW-ZDUSSCGKSA-N 1 2 367.452 2.209 20 5 FEBDLO Cc1cc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000068516068 541601994 /nfs/dbraw/zinc/60/19/94/541601994.db2.gz ZWCPTYCVHLMBFJ-UHFFFAOYSA-N 1 2 355.398 2.279 20 5 FEBDLO CCCc1n[nH]c(C(=O)N2CC[NH+](CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000069156266 541664039 /nfs/dbraw/zinc/66/40/39/541664039.db2.gz CJKPCPCJMNUKQI-UHFFFAOYSA-N 1 2 371.441 2.271 20 5 FEBDLO CCCc1[nH]nc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000069156266 541664043 /nfs/dbraw/zinc/66/40/43/541664043.db2.gz CJKPCPCJMNUKQI-UHFFFAOYSA-N 1 2 371.441 2.271 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+](CCO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000070927147 541752794 /nfs/dbraw/zinc/75/27/94/541752794.db2.gz FEKGNSXCDJOIPU-UHFFFAOYSA-N 1 2 373.409 2.427 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+](CCO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000070927147 541752796 /nfs/dbraw/zinc/75/27/96/541752796.db2.gz FEKGNSXCDJOIPU-UHFFFAOYSA-N 1 2 373.409 2.427 20 5 FEBDLO COC(=O)[C@]1(F)CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000074777574 542119919 /nfs/dbraw/zinc/11/99/19/542119919.db2.gz DTDOMIRXHAATPZ-KRWDZBQOSA-N 1 2 360.345 2.452 20 5 FEBDLO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[NH+](CCO)CC1 ZINC000078623445 542472751 /nfs/dbraw/zinc/47/27/51/542472751.db2.gz FHKHWJVBCQBURB-UHFFFAOYSA-N 1 2 370.409 2.089 20 5 FEBDLO COC(=O)C1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCCC1 ZINC000055452169 221070482 /nfs/dbraw/zinc/07/04/82/221070482.db2.gz JPHRQOOPPYQXDU-UHFFFAOYSA-N 1 2 372.381 2.386 20 5 FEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079780481 542541771 /nfs/dbraw/zinc/54/17/71/542541771.db2.gz WDYYSMMAULTALR-VIFPVBQESA-N 1 2 353.176 2.372 20 5 FEBDLO Cc1ccn2cc(CNS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])[nH+]c2c1 ZINC000079911547 542549339 /nfs/dbraw/zinc/54/93/39/542549339.db2.gz QQCAWPAFPVZYFB-UHFFFAOYSA-N 1 2 360.395 2.338 20 5 FEBDLO Cc1cccn2cc(CNc3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)[nH+]c12 ZINC000091628136 542816608 /nfs/dbraw/zinc/81/66/08/542816608.db2.gz XRQVDSPPTFZZKP-UHFFFAOYSA-N 1 2 353.338 2.494 20 5 FEBDLO O=[N+]([O-])c1ccc(Nc2cnn(CC[NH+]3CCOCC3)c2)c2ncccc12 ZINC000092649920 542877563 /nfs/dbraw/zinc/87/75/63/542877563.db2.gz RWFFIWWVCXTKKS-UHFFFAOYSA-N 1 2 368.397 2.415 20 5 FEBDLO NC(=O)[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000092734777 542883951 /nfs/dbraw/zinc/88/39/51/542883951.db2.gz UFDKSKJNAURPIZ-OAHLLOKOSA-N 1 2 365.773 2.194 20 5 FEBDLO NC(=O)[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000092734777 542883952 /nfs/dbraw/zinc/88/39/52/542883952.db2.gz UFDKSKJNAURPIZ-OAHLLOKOSA-N 1 2 365.773 2.194 20 5 FEBDLO O=[N+]([O-])c1cc(C[NH+]2CCN(c3ccccn3)CC2)c2c(c1)COCO2 ZINC000038442664 136118829 /nfs/dbraw/zinc/11/88/29/136118829.db2.gz KPGMPTWWQBSBLZ-UHFFFAOYSA-N 1 2 356.382 2.179 20 5 FEBDLO C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000104592403 543135383 /nfs/dbraw/zinc/13/53/83/543135383.db2.gz HDKYGJZJLBJGOE-STQMWFEESA-N 1 2 362.430 2.008 20 5 FEBDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)C2)CC1 ZINC000106937502 543257046 /nfs/dbraw/zinc/25/70/46/543257046.db2.gz JBSYYWONGAGNAC-MRXNPFEDSA-N 1 2 361.446 2.147 20 5 FEBDLO C[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000123717203 543779040 /nfs/dbraw/zinc/77/90/40/543779040.db2.gz WJNQTBQDVFJWSW-RYUDHWBXSA-N 1 2 359.423 2.133 20 5 FEBDLO C[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000123717203 543779044 /nfs/dbraw/zinc/77/90/44/543779044.db2.gz WJNQTBQDVFJWSW-RYUDHWBXSA-N 1 2 359.423 2.133 20 5 FEBDLO O=C1NCCN1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000127559106 544000832 /nfs/dbraw/zinc/00/08/32/544000832.db2.gz UPGAILDIHWNGFQ-UHFFFAOYSA-N 1 2 370.356 2.186 20 5 FEBDLO CC(C)[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000128824580 544075394 /nfs/dbraw/zinc/07/53/94/544075394.db2.gz QLUPEUISFOTLBA-OAHLLOKOSA-N 1 2 355.822 2.335 20 5 FEBDLO CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000129807681 544128284 /nfs/dbraw/zinc/12/82/84/544128284.db2.gz VYBIESLNBRKLQA-GFCCVEGCSA-N 1 2 360.370 2.193 20 5 FEBDLO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130429170 544150595 /nfs/dbraw/zinc/15/05/95/544150595.db2.gz VTCGCVQNNDYYLL-CQSZACIVSA-N 1 2 356.382 2.154 20 5 FEBDLO O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000130624372 544158270 /nfs/dbraw/zinc/15/82/70/544158270.db2.gz QZRXAXQAALPIAM-NSHDSACASA-N 1 2 357.208 2.027 20 5 FEBDLO O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000130624372 544158273 /nfs/dbraw/zinc/15/82/73/544158273.db2.gz QZRXAXQAALPIAM-NSHDSACASA-N 1 2 357.208 2.027 20 5 FEBDLO COC(=O)c1cc(C(=O)NCc2[nH+]ccn2CC(C)C)cc([N+](=O)[O-])c1 ZINC000131358833 544187303 /nfs/dbraw/zinc/18/73/03/544187303.db2.gz QJADTYXFCHYQAJ-UHFFFAOYSA-N 1 2 360.370 2.164 20 5 FEBDLO O=C(C[N@@H+]1CCc2ccsc2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000132886470 544247038 /nfs/dbraw/zinc/24/70/38/544247038.db2.gz BLJPBKXJGVLISK-UHFFFAOYSA-N 1 2 361.379 2.382 20 5 FEBDLO O=C(C[N@H+]1CCc2ccsc2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000132886470 544247041 /nfs/dbraw/zinc/24/70/41/544247041.db2.gz BLJPBKXJGVLISK-UHFFFAOYSA-N 1 2 361.379 2.382 20 5 FEBDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)no1 ZINC000134753171 544320836 /nfs/dbraw/zinc/32/08/36/544320836.db2.gz HQKSIBBJWAHQSK-UHFFFAOYSA-N 1 2 367.793 2.358 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000136096266 544366752 /nfs/dbraw/zinc/36/67/52/544366752.db2.gz RSXBZNAHBWKVMM-GOSISDBHSA-N 1 2 355.394 2.086 20 5 FEBDLO O=C(c1cccc(F)c1)N1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136919337 544381017 /nfs/dbraw/zinc/38/10/17/544381017.db2.gz YBLCQJDNLARFEI-GOSISDBHSA-N 1 2 373.384 2.225 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000153044267 544726023 /nfs/dbraw/zinc/72/60/23/544726023.db2.gz HJBISCFEQFEIJA-UHFFFAOYSA-N 1 2 374.441 2.319 20 5 FEBDLO CCOC(=O)c1cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000153514479 544785618 /nfs/dbraw/zinc/78/56/18/544785618.db2.gz OULPLYMKXYXDPP-GFCCVEGCSA-N 1 2 360.370 2.034 20 5 FEBDLO CC(C)([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000182177264 327764365 /nfs/dbraw/zinc/76/43/65/327764365.db2.gz VCQHHMKJAPDXTI-UHFFFAOYSA-N 1 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O=C(C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)NCc1ccccc1 ZINC000016565242 324385819 /nfs/dbraw/zinc/38/58/19/324385819.db2.gz GEIQEDWHDMRVJW-UHFFFAOYSA-N 1 2 354.410 2.033 20 5 FEBDLO Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032166620 324474134 /nfs/dbraw/zinc/47/41/34/324474134.db2.gz MTZZNYQKXOAZDW-AWEZNQCLSA-N 1 2 366.381 2.321 20 5 FEBDLO C[C@H]([C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000104774247 325545759 /nfs/dbraw/zinc/54/57/59/325545759.db2.gz HBNYADMLNSIOJD-WDEREUQCSA-N 1 2 356.810 2.479 20 5 FEBDLO Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c(C)[nH+]1 ZINC000119269500 326143095 /nfs/dbraw/zinc/14/30/95/326143095.db2.gz LJZLEOVUSYRTQR-CYBMUJFWSA-N 1 2 358.354 2.443 20 5 FEBDLO C[N@@H+]1CCc2nc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)sc2C1 ZINC000122200750 326387714 /nfs/dbraw/zinc/38/77/14/326387714.db2.gz GEFAGCLFAPJIHV-UHFFFAOYSA-N 1 2 358.383 2.168 20 5 FEBDLO C[N@H+]1CCc2nc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)sc2C1 ZINC000122200750 326387715 /nfs/dbraw/zinc/38/77/15/326387715.db2.gz GEFAGCLFAPJIHV-UHFFFAOYSA-N 1 2 358.383 2.168 20 5 FEBDLO COC(=O)c1cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c1 ZINC000123920424 326444542 /nfs/dbraw/zinc/44/45/42/326444542.db2.gz SCPBCBRGFUFRSH-MLGOLLRUSA-N 1 2 372.381 2.301 20 5 FEBDLO C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000125374381 326470594 /nfs/dbraw/zinc/47/05/94/326470594.db2.gz LNFBLPVIDPRSIQ-MLGOLLRUSA-N 1 2 362.361 2.419 20 5 FEBDLO CN(C)c1[nH+]cccc1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000153214379 326727151 /nfs/dbraw/zinc/72/71/51/326727151.db2.gz WVCYXHQJHCSMJP-UHFFFAOYSA-N 1 2 353.382 2.396 20 5 FEBDLO Cc1nc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)no1 ZINC000156905825 326847923 /nfs/dbraw/zinc/84/79/23/326847923.db2.gz CHMGVIDMUYJGIL-NSHDSACASA-N 1 2 359.386 2.493 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1[nH+]ccn1C ZINC000161947946 327013018 /nfs/dbraw/zinc/01/30/18/327013018.db2.gz WDGPOAMCRFHAHO-SNVBAGLBSA-N 1 2 351.794 2.441 20 5 FEBDLO O=C1CCc2cc([N+](=O)[O-])c(N3CC[NH+](Cc4ccccn4)CC3)cc2N1 ZINC000170639364 327090033 /nfs/dbraw/zinc/09/00/33/327090033.db2.gz IZUUZYTTYFUXAH-UHFFFAOYSA-N 1 2 367.409 2.197 20 5 FEBDLO O=C1CCc2cc([N+](=O)[O-])c(Nc3ccc(N4CCOCC4)[nH+]c3)cc2N1 ZINC000170639409 327090049 /nfs/dbraw/zinc/09/00/49/327090049.db2.gz JGYKJQXRKLKJOH-UHFFFAOYSA-N 1 2 369.381 2.455 20 5 FEBDLO C[C@@H]([NH2+][C@H](C)c1nnc2ccccn21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000172613374 327211660 /nfs/dbraw/zinc/21/16/60/327211660.db2.gz XJVVWULGMQXEJA-VXGBXAGGSA-N 1 2 354.370 2.315 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@](O)(C(F)(F)F)C3)n2)c1 ZINC000174746249 327348170 /nfs/dbraw/zinc/34/81/70/327348170.db2.gz QFZXIOKDRRXHNA-ZDUSSCGKSA-N 1 2 358.276 2.144 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@](O)(C(F)(F)F)C3)n2)c1 ZINC000174746249 327348172 /nfs/dbraw/zinc/34/81/72/327348172.db2.gz QFZXIOKDRRXHNA-ZDUSSCGKSA-N 1 2 358.276 2.144 20 5 FEBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000264204416 328999889 /nfs/dbraw/zinc/99/98/89/328999889.db2.gz IDIHMSWGJSLCPL-ZDUSSCGKSA-N 1 2 373.413 2.132 20 5 FEBDLO CCCc1n[nH]c(C(=O)NCc2ccc(N(CC)CC)[nH+]c2)c1[N+](=O)[O-] ZINC000264589883 329038374 /nfs/dbraw/zinc/03/83/74/329038374.db2.gz AZTORMGTLSEBPH-UHFFFAOYSA-N 1 2 360.418 2.442 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c2c(c1)COCO2 ZINC000264599611 329039484 /nfs/dbraw/zinc/03/94/84/329039484.db2.gz JQNSYGTXLLQVBJ-GXTWGEPZSA-N 1 2 362.304 2.349 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c2c(c1)COCO2 ZINC000264599611 329039485 /nfs/dbraw/zinc/03/94/85/329039485.db2.gz JQNSYGTXLLQVBJ-GXTWGEPZSA-N 1 2 362.304 2.349 20 5 FEBDLO CC(C)OCC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267194298 329301329 /nfs/dbraw/zinc/30/13/29/329301329.db2.gz DRZUMWSRTUBIQD-UHFFFAOYSA-N 1 2 373.251 2.299 20 5 FEBDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000272386002 329776625 /nfs/dbraw/zinc/77/66/25/329776625.db2.gz CDXKRVAOCQISTR-CHWSQXEVSA-N 1 2 373.413 2.190 20 5 FEBDLO Cn1ccnc1[C@@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272473010 329783899 /nfs/dbraw/zinc/78/38/99/329783899.db2.gz AUDWBJFUHJNHEX-YOEHRIQHSA-N 1 2 371.441 2.407 20 5 FEBDLO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000272980404 329827836 /nfs/dbraw/zinc/82/78/36/329827836.db2.gz KXJDFDMSDAQLDK-INIZCTEOSA-N 1 2 369.381 2.217 20 5 FEBDLO CCc1[nH+]c2ccccc2n1Cc1noc(CCn2cc([N+](=O)[O-])cn2)n1 ZINC000274046768 329910996 /nfs/dbraw/zinc/91/09/96/329910996.db2.gz QXTOVRAWMYVSNE-UHFFFAOYSA-N 1 2 367.369 2.377 20 5 FEBDLO Cc1sc(C(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000276228620 330131361 /nfs/dbraw/zinc/13/13/61/330131361.db2.gz DWUDFXMDPULSKV-CYBMUJFWSA-N 1 2 353.444 2.148 20 5 FEBDLO Cc1sc(C(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000276228620 330131362 /nfs/dbraw/zinc/13/13/62/330131362.db2.gz DWUDFXMDPULSKV-CYBMUJFWSA-N 1 2 353.444 2.148 20 5 FEBDLO O=C(N1CC[NH2+][C@H](c2cccnc2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000367243682 330235333 /nfs/dbraw/zinc/23/53/33/330235333.db2.gz LLICWGCPFRIGBN-HNNXBMFYSA-N 1 2 362.336 2.255 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H]1CCO)Nc1ccc([N+](=O)[O-])cc1Br ZINC000426229260 330271001 /nfs/dbraw/zinc/27/10/01/330271001.db2.gz WJWMSTLHFZEDRK-SNVBAGLBSA-N 1 2 372.219 2.143 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H]1CCO)Nc1ccc([N+](=O)[O-])cc1Br ZINC000426229260 330271002 /nfs/dbraw/zinc/27/10/02/330271002.db2.gz WJWMSTLHFZEDRK-SNVBAGLBSA-N 1 2 372.219 2.143 20 5 FEBDLO O=C(Nc1ccccc1C[NH+]1CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274613078 518201208 /nfs/dbraw/zinc/20/12/08/518201208.db2.gz INOHSKPMOHPHCR-UHFFFAOYSA-N 1 2 357.366 2.385 20 5 FEBDLO COc1cc([N+](=O)[O-])c(C(=O)NCCc2c[nH+]cn2C)cc1SC ZINC000155624409 545551458 /nfs/dbraw/zinc/55/14/58/545551458.db2.gz SSVOJEQJNMEJGS-UHFFFAOYSA-N 1 2 350.400 2.031 20 5 FEBDLO O=C(NCc1cccc(CO)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000170925058 546182483 /nfs/dbraw/zinc/18/24/83/546182483.db2.gz RKUGQIZZSKAEAC-UHFFFAOYSA-N 1 2 352.350 2.203 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)c1[N+](=O)[O-] ZINC000479620608 561193450 /nfs/dbraw/zinc/19/34/50/561193450.db2.gz VQPOCYCZUMQHFO-UHFFFAOYSA-N 1 2 350.400 2.473 20 5 FEBDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccccc1 ZINC000178949992 546879177 /nfs/dbraw/zinc/87/91/77/546879177.db2.gz CVWJFWCXIUGRKA-WFASDCNBSA-N 1 2 367.452 2.380 20 5 FEBDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccccc1 ZINC000178949992 546879184 /nfs/dbraw/zinc/87/91/84/546879184.db2.gz CVWJFWCXIUGRKA-WFASDCNBSA-N 1 2 367.452 2.380 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000179506607 546968461 /nfs/dbraw/zinc/96/84/61/546968461.db2.gz BFQBYYMQJNJVHX-ZDUSSCGKSA-N 1 2 370.413 2.408 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000179506607 546968466 /nfs/dbraw/zinc/96/84/66/546968466.db2.gz BFQBYYMQJNJVHX-ZDUSSCGKSA-N 1 2 370.413 2.408 20 5 FEBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000180535440 547126158 /nfs/dbraw/zinc/12/61/58/547126158.db2.gz CTRGGGNFWJUUBM-UHFFFAOYSA-N 1 2 370.413 2.277 20 5 FEBDLO C[N@@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2C1 ZINC000180822363 547186235 /nfs/dbraw/zinc/18/62/35/547186235.db2.gz FXAQKDBKZUYOSA-UHFFFAOYSA-N 1 2 361.423 2.377 20 5 FEBDLO C[N@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2C1 ZINC000180822363 547186240 /nfs/dbraw/zinc/18/62/40/547186240.db2.gz FXAQKDBKZUYOSA-UHFFFAOYSA-N 1 2 361.423 2.377 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC000483093040 561267191 /nfs/dbraw/zinc/26/71/91/561267191.db2.gz VJDHMOAZDQIWDK-SNVBAGLBSA-N 1 2 360.292 2.050 20 5 FEBDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184803815 547881391 /nfs/dbraw/zinc/88/13/91/547881391.db2.gz NVPIEETZTPFBKI-UHFFFAOYSA-N 1 2 352.416 2.067 20 5 FEBDLO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000185471541 547988964 /nfs/dbraw/zinc/98/89/64/547988964.db2.gz KYAVPTVVPRGPDM-LBPRGKRZSA-N 1 2 366.381 2.125 20 5 FEBDLO CCOC(=O)C(C)(C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000485517698 561320923 /nfs/dbraw/zinc/32/09/23/561320923.db2.gz KDXQDNDAKOVEDL-UHFFFAOYSA-N 1 2 360.370 2.194 20 5 FEBDLO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186572877 548153623 /nfs/dbraw/zinc/15/36/23/548153623.db2.gz IMJHKLGXHZFMJW-GUYCJALGSA-N 1 2 370.409 2.336 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186572877 548153628 /nfs/dbraw/zinc/15/36/28/548153628.db2.gz IMJHKLGXHZFMJW-GUYCJALGSA-N 1 2 370.409 2.336 20 5 FEBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000486475987 561348298 /nfs/dbraw/zinc/34/82/98/561348298.db2.gz ZXWOZQBIXCNAOJ-UHFFFAOYSA-N 1 2 357.292 2.329 20 5 FEBDLO COc1cc(C[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)ccc1[N+](=O)[O-] ZINC000489230565 561406261 /nfs/dbraw/zinc/40/62/61/561406261.db2.gz HFYYWJQUAAJOTA-OAHLLOKOSA-N 1 2 365.455 2.143 20 5 FEBDLO COc1cc(C[N@H+]2CCC[C@@H]2C(=O)N2CCSCC2)ccc1[N+](=O)[O-] ZINC000489230565 561406262 /nfs/dbraw/zinc/40/62/62/561406262.db2.gz HFYYWJQUAAJOTA-OAHLLOKOSA-N 1 2 365.455 2.143 20 5 FEBDLO C[C@@H]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000248431167 549435373 /nfs/dbraw/zinc/43/53/73/549435373.db2.gz SQNVNZVYXJJURW-CZUORRHYSA-N 1 2 364.427 2.204 20 5 FEBDLO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000248471055 549446244 /nfs/dbraw/zinc/44/62/44/549446244.db2.gz IMJHKLGXHZFMJW-SUMWQHHRSA-N 1 2 370.409 2.336 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000248471055 549446249 /nfs/dbraw/zinc/44/62/49/549446249.db2.gz IMJHKLGXHZFMJW-SUMWQHHRSA-N 1 2 370.409 2.336 20 5 FEBDLO Cc1ccc([C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000248468737 549446453 /nfs/dbraw/zinc/44/64/53/549446453.db2.gz UGRHGMSFECVNKB-KDOFPFPSSA-N 1 2 362.382 2.309 20 5 FEBDLO Cc1ccc([C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000248468737 549446458 /nfs/dbraw/zinc/44/64/58/549446458.db2.gz UGRHGMSFECVNKB-KDOFPFPSSA-N 1 2 362.382 2.309 20 5 FEBDLO COCC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCO[C@@H]1C ZINC000489469646 561412209 /nfs/dbraw/zinc/41/22/09/561412209.db2.gz LBQPMWQGALQYGD-DOMZBBRYSA-N 1 2 362.386 2.271 20 5 FEBDLO COCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCO[C@@H]1C ZINC000489469646 561412210 /nfs/dbraw/zinc/41/22/10/561412210.db2.gz LBQPMWQGALQYGD-DOMZBBRYSA-N 1 2 362.386 2.271 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1C ZINC000249771639 549627854 /nfs/dbraw/zinc/62/78/54/549627854.db2.gz SPRONHIDFXIAKS-AWEZNQCLSA-N 1 2 353.444 2.070 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1C ZINC000249771639 549627857 /nfs/dbraw/zinc/62/78/57/549627857.db2.gz SPRONHIDFXIAKS-AWEZNQCLSA-N 1 2 353.444 2.070 20 5 FEBDLO CCOc1cc(C[NH+]2CCN(c3nccc(OC)n3)CC2)ccc1[N+](=O)[O-] ZINC000492414282 561451235 /nfs/dbraw/zinc/45/12/35/561451235.db2.gz ATVXZFOEWIYCGT-UHFFFAOYSA-N 1 2 373.413 2.114 20 5 FEBDLO Cn1cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000492791959 561452827 /nfs/dbraw/zinc/45/28/27/561452827.db2.gz HTECRRXAPZBBOF-GFCCVEGCSA-N 1 2 366.381 2.006 20 5 FEBDLO Cn1cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000492791959 561452828 /nfs/dbraw/zinc/45/28/28/561452828.db2.gz HTECRRXAPZBBOF-GFCCVEGCSA-N 1 2 366.381 2.006 20 5 FEBDLO Cc1ccc([C@@H](C)NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000492965422 561453654 /nfs/dbraw/zinc/45/36/54/561453654.db2.gz ZVWKMFPEWOVVSM-CQSZACIVSA-N 1 2 372.429 2.215 20 5 FEBDLO O=[N+]([O-])c1cncc(Br)c1N1CCN(c2cccc[nH+]2)CC1 ZINC000270384444 550267523 /nfs/dbraw/zinc/26/75/23/550267523.db2.gz QOTKNKXPAFLGIV-UHFFFAOYSA-N 1 2 364.203 2.474 20 5 FEBDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000270701548 550298638 /nfs/dbraw/zinc/29/86/38/550298638.db2.gz MIFNEPRYTISDPG-SWLSCSKDSA-N 1 2 350.325 2.376 20 5 FEBDLO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000270701548 550298639 /nfs/dbraw/zinc/29/86/39/550298639.db2.gz MIFNEPRYTISDPG-SWLSCSKDSA-N 1 2 350.325 2.376 20 5 FEBDLO CC(=O)N1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC12CCCCC2 ZINC000270846789 550313354 /nfs/dbraw/zinc/31/33/54/550313354.db2.gz GZMBTYOQSLRFLN-UHFFFAOYSA-N 1 2 374.441 2.061 20 5 FEBDLO CC(=O)N1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC12CCCCC2 ZINC000270846789 550313355 /nfs/dbraw/zinc/31/33/55/550313355.db2.gz GZMBTYOQSLRFLN-UHFFFAOYSA-N 1 2 374.441 2.061 20 5 FEBDLO O=C1CCCN1[C@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000271007682 550331283 /nfs/dbraw/zinc/33/12/83/550331283.db2.gz ZKLUYLLAUUNTEL-INIZCTEOSA-N 1 2 356.382 2.447 20 5 FEBDLO O=C1CCCN1[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000271007682 550331286 /nfs/dbraw/zinc/33/12/86/550331286.db2.gz ZKLUYLLAUUNTEL-INIZCTEOSA-N 1 2 356.382 2.447 20 5 FEBDLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271094425 550339576 /nfs/dbraw/zinc/33/95/76/550339576.db2.gz XZLQDKHVOLUGGU-NSHDSACASA-N 1 2 358.354 2.350 20 5 FEBDLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271094425 550339577 /nfs/dbraw/zinc/33/95/77/550339577.db2.gz XZLQDKHVOLUGGU-NSHDSACASA-N 1 2 358.354 2.350 20 5 FEBDLO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271291104 550361484 /nfs/dbraw/zinc/36/14/84/550361484.db2.gz FQZMZTXHAICOHE-UHFFFAOYSA-N 1 2 358.383 2.342 20 5 FEBDLO C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000271667790 550393873 /nfs/dbraw/zinc/39/38/73/550393873.db2.gz ZZXDMSOVROSENF-CYBMUJFWSA-N 1 2 350.419 2.066 20 5 FEBDLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)nn1 ZINC000494655668 561473388 /nfs/dbraw/zinc/47/33/88/561473388.db2.gz RRYPCZNHPHVEOW-JTQLQIEISA-N 1 2 365.777 2.073 20 5 FEBDLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)nn1 ZINC000494655668 561473389 /nfs/dbraw/zinc/47/33/89/561473389.db2.gz RRYPCZNHPHVEOW-JTQLQIEISA-N 1 2 365.777 2.073 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c1F ZINC000277407842 550666828 /nfs/dbraw/zinc/66/68/28/550666828.db2.gz LLWXYKKMIILNGX-OAHLLOKOSA-N 1 2 353.394 2.129 20 5 FEBDLO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc2c1OCO2 ZINC000278007561 550738508 /nfs/dbraw/zinc/73/85/08/550738508.db2.gz IYDBAHWYOSLMBN-BXUZGUMPSA-N 1 2 374.353 2.299 20 5 FEBDLO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc2c1OCO2 ZINC000278007561 550738510 /nfs/dbraw/zinc/73/85/10/550738510.db2.gz IYDBAHWYOSLMBN-BXUZGUMPSA-N 1 2 374.353 2.299 20 5 FEBDLO CCOC1CC(CNc2cccc(F)c2[N+](=O)[O-])([NH+]2CCOCC2)C1 ZINC000278091033 550748092 /nfs/dbraw/zinc/74/80/92/550748092.db2.gz VQBMTLUHMVCHHQ-UHFFFAOYSA-N 1 2 353.394 2.416 20 5 FEBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H](C2CC2)O1 ZINC000279313344 550876697 /nfs/dbraw/zinc/87/66/97/550876697.db2.gz FIZFKVAEOTYPBD-YVEFUNNKSA-N 1 2 356.382 2.420 20 5 FEBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C[C@@H](C)O2 ZINC000279670696 550915031 /nfs/dbraw/zinc/91/50/31/550915031.db2.gz DKMZMHVPGLUVAP-VBHSOAQHSA-N 1 2 364.398 2.230 20 5 FEBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C[C@@H](C)O2 ZINC000279670696 550915033 /nfs/dbraw/zinc/91/50/33/550915033.db2.gz DKMZMHVPGLUVAP-VBHSOAQHSA-N 1 2 364.398 2.230 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000279703794 550918886 /nfs/dbraw/zinc/91/88/86/550918886.db2.gz HGIPSSRQOXNCOC-ZXTQRBJTSA-N 1 2 363.414 2.190 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000279703794 550918887 /nfs/dbraw/zinc/91/88/87/550918887.db2.gz HGIPSSRQOXNCOC-ZXTQRBJTSA-N 1 2 363.414 2.190 20 5 FEBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000280252249 550974541 /nfs/dbraw/zinc/97/45/41/550974541.db2.gz LFUSKWBRMKIXLD-MRXNPFEDSA-N 1 2 351.359 2.273 20 5 FEBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000280252249 550974542 /nfs/dbraw/zinc/97/45/42/550974542.db2.gz LFUSKWBRMKIXLD-MRXNPFEDSA-N 1 2 351.359 2.273 20 5 FEBDLO C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000280409066 550990788 /nfs/dbraw/zinc/99/07/88/550990788.db2.gz HEWATMWLCJUICT-MNOVXSKESA-N 1 2 373.812 2.155 20 5 FEBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CCO2 ZINC000280430645 550992777 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C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000286299911 551871400 /nfs/dbraw/zinc/87/14/00/551871400.db2.gz JLGGWJXTTNLVSH-QWRGUYRKSA-N 1 2 360.336 2.308 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOC[C@H]1CC(F)F ZINC000286691276 551915182 /nfs/dbraw/zinc/91/51/82/551915182.db2.gz JHXWWKBGNTXVBT-GFCCVEGCSA-N 1 2 366.324 2.277 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOC[C@@H]1CC(F)F ZINC000286691277 551915220 /nfs/dbraw/zinc/91/52/20/551915220.db2.gz JHXWWKBGNTXVBT-LBPRGKRZSA-N 1 2 366.324 2.277 20 5 FEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000287356001 551993580 /nfs/dbraw/zinc/99/35/80/551993580.db2.gz NOCZXTKHBFOQMF-UONOGXRCSA-N 1 2 370.409 2.078 20 5 FEBDLO CN(C)c1ccc(CNc2c(Br)cncc2[N+](=O)[O-])c[nH+]1 ZINC000500265872 561569133 /nfs/dbraw/zinc/56/91/33/561569133.db2.gz GGUMKJJYROPBMN-UHFFFAOYSA-N 1 2 352.192 2.247 20 5 FEBDLO CCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 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350.396 2.474 20 5 FEBDLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000503086713 561633940 /nfs/dbraw/zinc/63/39/40/561633940.db2.gz JPAGPTBRGBWZIB-ZDUSSCGKSA-N 1 2 350.396 2.474 20 5 FEBDLO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000298800185 553474676 /nfs/dbraw/zinc/47/46/76/553474676.db2.gz NNJFDOIHZUTORP-UWVGGRQHSA-N 1 2 355.778 2.070 20 5 FEBDLO COC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000298800185 553474678 /nfs/dbraw/zinc/47/46/78/553474678.db2.gz NNJFDOIHZUTORP-UWVGGRQHSA-N 1 2 355.778 2.070 20 5 FEBDLO Cc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[NH+]2CCOCC2)c1 ZINC000298958675 553495218 /nfs/dbraw/zinc/49/52/18/553495218.db2.gz WEMFMBGTAAPPLA-INIZCTEOSA-N 1 2 358.398 2.035 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000299209506 553530839 /nfs/dbraw/zinc/53/08/39/553530839.db2.gz HHNLYFQIXOEIPU-ZDUSSCGKSA-N 1 2 371.397 2.279 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000299496918 553571671 /nfs/dbraw/zinc/57/16/71/553571671.db2.gz HBOIDJPWSPKHJM-UHFFFAOYSA-N 1 2 350.400 2.126 20 5 FEBDLO CNC(=O)c1ccc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000301281081 553638565 /nfs/dbraw/zinc/63/85/65/553638565.db2.gz KADKJBHQOBQCPS-AWEZNQCLSA-N 1 2 369.425 2.233 20 5 FEBDLO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+](Cc3cc(C)no3)CC2)c1 ZINC000301348464 553644428 /nfs/dbraw/zinc/64/44/28/553644428.db2.gz LNJKKQROHHSYCL-UHFFFAOYSA-N 1 2 350.350 2.361 20 5 FEBDLO O=C(CCNc1cccc(F)c1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000301519428 553657515 /nfs/dbraw/zinc/65/75/15/553657515.db2.gz DYBLMYYVIQTXDZ-UHFFFAOYSA-N 1 2 373.388 2.280 20 5 FEBDLO O=[N+]([O-])c1cncc(Br)c1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000301891229 553689206 /nfs/dbraw/zinc/68/92/06/553689206.db2.gz UQIFOSSKAGNFIG-SNVBAGLBSA-N 1 2 357.208 2.027 20 5 FEBDLO Cc1ccc(NCCCNc2[nH+]cnc(-n3cccn3)c2N)c([N+](=O)[O-])c1 ZINC000301810233 553681650 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2.153 20 5 FEBDLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505854047 561683114 /nfs/dbraw/zinc/68/31/14/561683114.db2.gz ZDLINKJVKIORHD-GFCCVEGCSA-N 1 2 359.423 2.028 20 5 FEBDLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505854047 561683115 /nfs/dbraw/zinc/68/31/15/561683115.db2.gz ZDLINKJVKIORHD-GFCCVEGCSA-N 1 2 359.423 2.028 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000507408060 561728457 /nfs/dbraw/zinc/72/84/57/561728457.db2.gz SHCRAWVFUCVHMI-OAHLLOKOSA-N 1 2 371.397 2.151 20 5 FEBDLO Cc1c(NC(=O)CC[NH+]2C[C@H](C)S(=O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000331173307 554225982 /nfs/dbraw/zinc/22/59/82/554225982.db2.gz OWAYAEBXMJASJL-RYUDHWBXSA-N 1 2 353.444 2.073 20 5 FEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000332478581 554453496 /nfs/dbraw/zinc/45/34/96/554453496.db2.gz XOQFKRMBCAOPMR-UHFFFAOYSA-N 1 2 350.400 2.195 20 5 FEBDLO C[N@@H+]1CCO[C@H]2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000332542701 554468235 /nfs/dbraw/zinc/46/82/35/554468235.db2.gz YTSSOTMTVZWSIV-GJZGRUSLSA-N 1 2 370.247 2.262 20 5 FEBDLO C[N@H+]1CCO[C@H]2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000332542701 554468236 /nfs/dbraw/zinc/46/82/36/554468236.db2.gz YTSSOTMTVZWSIV-GJZGRUSLSA-N 1 2 370.247 2.262 20 5 FEBDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000511271361 561863384 /nfs/dbraw/zinc/86/33/84/561863384.db2.gz LOWINTVKEKBLCW-ZDUSSCGKSA-N 1 2 370.818 2.411 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000511272022 561863462 /nfs/dbraw/zinc/86/34/62/561863462.db2.gz NSFDTZKEFMQCKJ-CQSZACIVSA-N 1 2 350.400 2.066 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000360280902 554869779 /nfs/dbraw/zinc/86/97/79/554869779.db2.gz YLKDWGISIGTZQZ-AWEZNQCLSA-N 1 2 373.413 2.466 20 5 FEBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000360280902 554869783 /nfs/dbraw/zinc/86/97/83/554869783.db2.gz YLKDWGISIGTZQZ-AWEZNQCLSA-N 1 2 373.413 2.466 20 5 FEBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000361277927 554913850 /nfs/dbraw/zinc/91/38/50/554913850.db2.gz HBCIITRFCVIOLN-GFCCVEGCSA-N 1 2 355.398 2.205 20 5 FEBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000361277927 554913851 /nfs/dbraw/zinc/91/38/51/554913851.db2.gz HBCIITRFCVIOLN-GFCCVEGCSA-N 1 2 355.398 2.205 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H](c2ccncn2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000363015086 555010721 /nfs/dbraw/zinc/01/07/21/555010721.db2.gz UVNLYGZXMPRBBV-OAHLLOKOSA-N 1 2 367.409 2.154 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H](c2ccncn2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000363015086 555010722 /nfs/dbraw/zinc/01/07/22/555010722.db2.gz UVNLYGZXMPRBBV-OAHLLOKOSA-N 1 2 367.409 2.154 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000363199924 555051991 /nfs/dbraw/zinc/05/19/91/555051991.db2.gz BAZMAXXJRSBGQU-DZGCQCFKSA-N 1 2 373.413 2.464 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000363199924 555051994 /nfs/dbraw/zinc/05/19/94/555051994.db2.gz BAZMAXXJRSBGQU-DZGCQCFKSA-N 1 2 373.413 2.464 20 5 FEBDLO Cc1n[nH]c(C2CC[NH+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)n1 ZINC000365109053 555487374 /nfs/dbraw/zinc/48/73/74/555487374.db2.gz HZNRTRARRZAWAJ-UHFFFAOYSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1nc(C2CC[NH+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)n[nH]1 ZINC000365109053 555487376 /nfs/dbraw/zinc/48/73/76/555487376.db2.gz HZNRTRARRZAWAJ-UHFFFAOYSA-N 1 2 369.385 2.451 20 5 FEBDLO Cc1nnc(C2CC[NH+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)[nH]1 ZINC000365109053 555487377 /nfs/dbraw/zinc/48/73/77/555487377.db2.gz HZNRTRARRZAWAJ-UHFFFAOYSA-N 1 2 369.385 2.451 20 5 FEBDLO O=C(NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000365231608 555517547 /nfs/dbraw/zinc/51/75/47/555517547.db2.gz XRMDKZSSVXZQLG-HNNXBMFYSA-N 1 2 370.409 2.337 20 5 FEBDLO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000365231608 555517549 /nfs/dbraw/zinc/51/75/49/555517549.db2.gz XRMDKZSSVXZQLG-HNNXBMFYSA-N 1 2 370.409 2.337 20 5 FEBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000365382167 555558837 /nfs/dbraw/zinc/55/88/37/555558837.db2.gz WQNCMQWODKPZMO-UHFFFAOYSA-N 1 2 362.361 2.304 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365772003 555664467 /nfs/dbraw/zinc/66/44/67/555664467.db2.gz ZBHAFOPDQHRIEK-CXAGYDPISA-N 1 2 356.382 2.470 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365772003 555664469 /nfs/dbraw/zinc/66/44/69/555664469.db2.gz ZBHAFOPDQHRIEK-CXAGYDPISA-N 1 2 356.382 2.470 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000365772003 555664470 /nfs/dbraw/zinc/66/44/70/555664470.db2.gz ZBHAFOPDQHRIEK-CXAGYDPISA-N 1 2 356.382 2.470 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000365772003 555664472 /nfs/dbraw/zinc/66/44/72/555664472.db2.gz ZBHAFOPDQHRIEK-CXAGYDPISA-N 1 2 356.382 2.470 20 5 FEBDLO CC(C)(CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000513743780 561948397 /nfs/dbraw/zinc/94/83/97/561948397.db2.gz BMTBELLDQJMBJL-UHFFFAOYSA-N 1 2 373.356 2.037 20 5 FEBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366840254 555948101 /nfs/dbraw/zinc/94/81/01/555948101.db2.gz GELWXKCWIQMXOI-LBPRGKRZSA-N 1 2 354.794 2.187 20 5 FEBDLO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000367644653 556103779 /nfs/dbraw/zinc/10/37/79/556103779.db2.gz UIYCCCDDZCZQPF-HOTGVXAUSA-N 1 2 371.393 2.185 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000368069079 556210027 /nfs/dbraw/zinc/21/00/27/556210027.db2.gz DMMLBTAJPVZUCL-ZIAGYGMSSA-N 1 2 373.413 2.382 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000368069079 556210029 /nfs/dbraw/zinc/21/00/29/556210029.db2.gz DMMLBTAJPVZUCL-ZIAGYGMSSA-N 1 2 373.413 2.382 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000368070913 556210531 /nfs/dbraw/zinc/21/05/31/556210531.db2.gz DWASGCDTOHHKAG-DOTOQJQBSA-N 1 2 363.414 2.431 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000368070913 556210534 /nfs/dbraw/zinc/21/05/34/556210534.db2.gz DWASGCDTOHHKAG-DOTOQJQBSA-N 1 2 363.414 2.431 20 5 FEBDLO O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000368608817 556360820 /nfs/dbraw/zinc/36/08/20/556360820.db2.gz SBZSISYPWJMYKM-UHFFFAOYSA-N 1 2 359.386 2.235 20 5 FEBDLO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCCN(c2cccc[nH+]2)CC1 ZINC000368716785 556395922 /nfs/dbraw/zinc/39/59/22/556395922.db2.gz VNNFHRZTRIRLLY-UHFFFAOYSA-N 1 2 370.365 2.071 20 5 FEBDLO CCc1n[nH]c(C(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000368946686 556455982 /nfs/dbraw/zinc/45/59/82/556455982.db2.gz BDVONOOUIDAZFQ-UHFFFAOYSA-N 1 2 358.402 2.016 20 5 FEBDLO CCc1[nH]nc(C(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000368946686 556455984 /nfs/dbraw/zinc/45/59/84/556455984.db2.gz BDVONOOUIDAZFQ-UHFFFAOYSA-N 1 2 358.402 2.016 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000369365605 556581415 /nfs/dbraw/zinc/58/14/15/556581415.db2.gz DKCMUITZKMYNHM-LLVKDONJSA-N 1 2 368.390 2.036 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000369366724 556581550 /nfs/dbraw/zinc/58/15/50/556581550.db2.gz RCVOSTOJRRRJSC-ZDUSSCGKSA-N 1 2 364.427 2.205 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@]2(CCCOC2)O1 ZINC000369552346 556628966 /nfs/dbraw/zinc/62/89/66/556628966.db2.gz QUWRCIVBXWVYEA-ACJLOTCBSA-N 1 2 374.397 2.415 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@]2(CCCOC2)O1 ZINC000369552346 556628968 /nfs/dbraw/zinc/62/89/68/556628968.db2.gz QUWRCIVBXWVYEA-ACJLOTCBSA-N 1 2 374.397 2.415 20 5 FEBDLO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(F)c2F)C[C@H]1[NH+]1CCOCC1 ZINC000371061080 557062180 /nfs/dbraw/zinc/06/21/80/557062180.db2.gz DNNJPKLZBWMANQ-IAQYHMDHSA-N 1 2 369.368 2.056 20 5 FEBDLO CC(C)(C)NC(=O)C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000371686717 557262737 /nfs/dbraw/zinc/26/27/37/557262737.db2.gz GXRADPNUXRHUJA-UHFFFAOYSA-N 1 2 369.853 2.070 20 5 FEBDLO CC(C)(C)NC(=O)C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000371686717 557262741 /nfs/dbraw/zinc/26/27/41/557262741.db2.gz GXRADPNUXRHUJA-UHFFFAOYSA-N 1 2 369.853 2.070 20 5 FEBDLO COc1cc(NC[C@@]2([NH+]3CCOCC3)CCCOC2)c([N+](=O)[O-])cc1F ZINC000372006637 557354386 /nfs/dbraw/zinc/35/43/86/557354386.db2.gz MNISGIYIWVRXLW-KRWDZBQOSA-N 1 2 369.393 2.036 20 5 FEBDLO CCc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000518762726 562117817 /nfs/dbraw/zinc/11/78/17/562117817.db2.gz MEQLNFXGZGDVAZ-OAHLLOKOSA-N 1 2 367.427 2.331 20 5 FEBDLO Cc1cc(C)c(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)[nH+]1 ZINC000518977591 562122313 /nfs/dbraw/zinc/12/23/13/562122313.db2.gz FKVXJTPHRCQFKB-UHFFFAOYSA-N 1 2 368.349 2.150 20 5 FEBDLO COc1cccc(NC(=O)C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000372284335 557429855 /nfs/dbraw/zinc/42/98/55/557429855.db2.gz YYOSHZDMFICTGB-AWEZNQCLSA-N 1 2 359.386 2.076 20 5 FEBDLO COc1cccc(NC(=O)C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000372284335 557429858 /nfs/dbraw/zinc/42/98/58/557429858.db2.gz YYOSHZDMFICTGB-AWEZNQCLSA-N 1 2 359.386 2.076 20 5 FEBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1n[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000372387543 557456894 /nfs/dbraw/zinc/45/68/94/557456894.db2.gz QWIYSRRRWNNFFQ-SNVBAGLBSA-N 1 2 368.397 3.061 20 5 FEBDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1n[nH]c3ccc([N+](=O)[O-])cc31)CC2 ZINC000372387543 557456895 /nfs/dbraw/zinc/45/68/95/557456895.db2.gz QWIYSRRRWNNFFQ-SNVBAGLBSA-N 1 2 368.397 3.061 20 5 FEBDLO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@]2(CCOC2)O1 ZINC000373484318 557702379 /nfs/dbraw/zinc/70/23/79/557702379.db2.gz XJAIUCBZBMSHBZ-WMZOPIPTSA-N 1 2 364.398 2.231 20 5 FEBDLO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@]2(CCOC2)O1 ZINC000373484318 557702380 /nfs/dbraw/zinc/70/23/80/557702380.db2.gz XJAIUCBZBMSHBZ-WMZOPIPTSA-N 1 2 364.398 2.231 20 5 FEBDLO O=C(C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)NCCC1=CCCCC1 ZINC000373565867 557719129 /nfs/dbraw/zinc/71/91/29/557719129.db2.gz GJXKYBYXWKIQEI-MRXNPFEDSA-N 1 2 361.446 2.435 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)NCCC1=CCCCC1 ZINC000373565867 557719131 /nfs/dbraw/zinc/71/91/31/557719131.db2.gz GJXKYBYXWKIQEI-MRXNPFEDSA-N 1 2 361.446 2.435 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000373802345 557762351 /nfs/dbraw/zinc/76/23/51/557762351.db2.gz 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C[C@H](O)[C@H]1CCN(c2cc(NCCc3ccccc3[N+](=O)[O-])nc[nH+]2)C1 ZINC000413168379 559085042 /nfs/dbraw/zinc/08/50/42/559085042.db2.gz KOPVFZRZKDWBKL-ZFWWWQNUSA-N 1 2 357.414 2.247 20 5 FEBDLO CC(C)NS(=O)(=O)[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413210404 559088716 /nfs/dbraw/zinc/08/87/16/559088716.db2.gz WAHAJUQQRHVJPM-CQSZACIVSA-N 1 2 364.427 2.050 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413286493 559095648 /nfs/dbraw/zinc/09/56/48/559095648.db2.gz ZASUUKZWQGHXJC-PWSUYJOCSA-N 1 2 360.336 2.308 20 5 FEBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000413951930 559142857 /nfs/dbraw/zinc/14/28/57/559142857.db2.gz CSDDKRRHEMSSDJ-UHFFFAOYSA-N 1 2 373.356 2.037 20 5 FEBDLO CCNc1ccc(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000416030893 559289932 /nfs/dbraw/zinc/28/99/32/559289932.db2.gz SMKJMCGDCCTQIG-UHFFFAOYSA-N 1 2 364.446 2.209 20 5 FEBDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C 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FEBDLO Cc1ccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])c(=O)n1C ZINC000447817426 560169974 /nfs/dbraw/zinc/16/99/74/560169974.db2.gz OIAGEJZZDFGRGW-UHFFFAOYSA-N 1 2 372.425 2.046 20 5 FEBDLO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCCc1cn2c([nH+]1)CCCC2 ZINC000448669243 560193363 /nfs/dbraw/zinc/19/33/63/560193363.db2.gz DZSFHZVEYSMVBB-UHFFFAOYSA-N 1 2 370.409 2.449 20 5 FEBDLO Cn1cc[nH+]c1CN1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450318195 560258403 /nfs/dbraw/zinc/25/84/03/560258403.db2.gz MVDBZJFSCNNMEO-UHFFFAOYSA-N 1 2 352.398 2.199 20 5 FEBDLO CN(C[C@H]1CCCC[C@@H]1O)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450469246 560263265 /nfs/dbraw/zinc/26/32/65/560263265.db2.gz PHGQLJLQOYBQHB-PBHICJAKSA-N 1 2 358.398 2.404 20 5 FEBDLO O=C(NCC1([NH+]2CCOCC2)CC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000451198255 560292580 /nfs/dbraw/zinc/29/25/80/560292580.db2.gz DXCQKQGJIVITBN-UHFFFAOYSA-N 1 2 373.331 2.208 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@]2(C1)CCCOC2 ZINC000451574297 560315600 /nfs/dbraw/zinc/31/56/00/560315600.db2.gz ZEDLCXBWNFXIFN-GOSISDBHSA-N 1 2 356.382 2.423 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1C ZINC000451932672 560338691 /nfs/dbraw/zinc/33/86/91/560338691.db2.gz ASYKHYGPUQSOQA-ZYHUDNBSSA-N 1 2 350.400 2.392 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000451949782 560340173 /nfs/dbraw/zinc/34/01/73/560340173.db2.gz YRJATFXVCSRDSH-JQWIXIFHSA-N 1 2 350.400 2.392 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H](O)C12CCCC2 ZINC000452149191 560353839 /nfs/dbraw/zinc/35/38/39/560353839.db2.gz SSUUWHSKRYKRRD-MRXNPFEDSA-N 1 2 356.382 2.300 20 5 FEBDLO CC(C)OC(=O)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000452892028 560377124 /nfs/dbraw/zinc/37/71/24/560377124.db2.gz SWGNEAFWABUFOD-INIZCTEOSA-N 1 2 374.397 2.487 20 5 FEBDLO Cc1cc(C(=O)N2CC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)[C@H](C)C2)[nH]n1 ZINC000453614321 560391271 /nfs/dbraw/zinc/39/12/71/560391271.db2.gz NJKHBSQYGNLPFB-CQSZACIVSA-N 1 2 357.414 2.281 20 5 FEBDLO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)[C@H](C)C2)[nH]n1 ZINC000453614321 560391272 /nfs/dbraw/zinc/39/12/72/560391272.db2.gz NJKHBSQYGNLPFB-CQSZACIVSA-N 1 2 357.414 2.281 20 5 FEBDLO CNc1nc(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)ccc1[N+](=O)[O-] ZINC000455256224 560475719 /nfs/dbraw/zinc/47/57/19/560475719.db2.gz GXKNXQQYOIJUEC-LLVKDONJSA-N 1 2 372.429 2.270 20 5 FEBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000456214441 560511784 /nfs/dbraw/zinc/51/17/84/560511784.db2.gz JUOVVAJMMSVSFO-OKILXGFUSA-N 1 2 361.423 2.403 20 5 FEBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000456214441 560511785 /nfs/dbraw/zinc/51/17/85/560511785.db2.gz JUOVVAJMMSVSFO-OKILXGFUSA-N 1 2 361.423 2.403 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)CCC2 ZINC000467044705 560902400 /nfs/dbraw/zinc/90/24/00/560902400.db2.gz JRDFDNTYGSRYSO-NSHDSACASA-N 1 2 370.456 2.326 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000469827262 560965485 /nfs/dbraw/zinc/96/54/85/560965485.db2.gz BGRHSPWJXDSXML-GXSJLCMTSA-N 1 2 355.778 2.070 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000469827262 560965486 /nfs/dbraw/zinc/96/54/86/560965486.db2.gz BGRHSPWJXDSXML-GXSJLCMTSA-N 1 2 355.778 2.070 20 5 FEBDLO CC[C@H]1C[N@H+](CCNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000470439438 560982031 /nfs/dbraw/zinc/98/20/31/560982031.db2.gz WGUNAGKXIQFKII-OCCSQVGLSA-N 1 2 353.394 2.064 20 5 FEBDLO CC[C@H]1C[N@@H+](CCNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000470439438 560982032 /nfs/dbraw/zinc/98/20/32/560982032.db2.gz WGUNAGKXIQFKII-OCCSQVGLSA-N 1 2 353.394 2.064 20 5 FEBDLO COC(=O)COc1ccc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000475569168 561100148 /nfs/dbraw/zinc/10/01/48/561100148.db2.gz GHEKNCLXGWWVRC-LBPRGKRZSA-N 1 2 352.387 2.146 20 5 FEBDLO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000475569168 561100149 /nfs/dbraw/zinc/10/01/49/561100149.db2.gz GHEKNCLXGWWVRC-LBPRGKRZSA-N 1 2 352.387 2.146 20 5 FEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](CCOCC(F)(F)C(F)F)CC2)cn1 ZINC000530337825 562407414 /nfs/dbraw/zinc/40/74/14/562407414.db2.gz ZQFIWLQKIVNVBI-UHFFFAOYSA-N 1 2 366.315 2.029 20 5 FEBDLO COC(=O)COc1ccc(C[NH2+]Cc2ncc(C)s2)cc1[N+](=O)[O-] ZINC000530494300 562413376 /nfs/dbraw/zinc/41/33/76/562413376.db2.gz ONZIJCLAADZECB-UHFFFAOYSA-N 1 2 351.384 2.201 20 5 FEBDLO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1c(F)cccc1F ZINC000532398298 562476537 /nfs/dbraw/zinc/47/65/37/562476537.db2.gz PLBDHKBRAXAPCY-CQSZACIVSA-N 1 2 350.325 2.301 20 5 FEBDLO CC1(C)C[N@H+](CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCO1 ZINC000541956016 562624460 /nfs/dbraw/zinc/62/44/60/562624460.db2.gz JJDHYCFJDWFVRZ-UHFFFAOYSA-N 1 2 373.356 2.037 20 5 FEBDLO CC1(C)C[N@@H+](CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCO1 ZINC000541956016 562624461 /nfs/dbraw/zinc/62/44/61/562624461.db2.gz JJDHYCFJDWFVRZ-UHFFFAOYSA-N 1 2 373.356 2.037 20 5 FEBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]Cc1nnc2n1CCOC2 ZINC000602629030 568007585 /nfs/dbraw/zinc/00/75/85/568007585.db2.gz DLFSJXXXQURWLD-UHFFFAOYSA-N 1 2 357.292 2.025 20 5 FEBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000568811644 568229446 /nfs/dbraw/zinc/22/94/46/568229446.db2.gz MDPMFRVCMSJLEW-GFCCVEGCSA-N 1 2 373.388 2.111 20 5 FEBDLO O=[N+]([O-])c1cccc2c1CCN(c1cc(N3CCCC[C@H]3CO)nc[nH+]1)C2 ZINC000569301912 568346498 /nfs/dbraw/zinc/34/64/98/568346498.db2.gz UWWKZZIXXRVAQX-HNNXBMFYSA-N 1 2 369.425 2.299 20 5 FEBDLO O=[N+]([O-])c1cccc2c1CCN(c1cc(N3CCCC[C@H]3CO)[nH+]cn1)C2 ZINC000569301912 568346499 /nfs/dbraw/zinc/34/64/99/568346499.db2.gz UWWKZZIXXRVAQX-HNNXBMFYSA-N 1 2 369.425 2.299 20 5 FEBDLO CC1CC[NH+](Cc2csc(NC(=O)c3c[nH]nc3[N+](=O)[O-])n2)CC1 ZINC000561450641 674667564 /nfs/dbraw/zinc/66/75/64/674667564.db2.gz DOZMLTUVRGADHS-UHFFFAOYSA-N 1 2 350.404 2.259 20 5 FEBDLO CN(C)C(=O)OC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000815192438 674928601 /nfs/dbraw/zinc/92/86/01/674928601.db2.gz FOYDKFYFNYJUPA-UHFFFAOYSA-N 1 2 352.347 2.166 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000564356501 675000569 /nfs/dbraw/zinc/00/05/69/675000569.db2.gz PMUQZSUJEJLGTI-KGLIPLIRSA-N 1 2 365.455 2.009 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000564389094 675007158 /nfs/dbraw/zinc/00/71/58/675007158.db2.gz DIGQSYTTYLDKKA-CYBMUJFWSA-N 1 2 364.427 2.123 20 5 FEBDLO CCc1ccc(S(=O)(=O)N2CC[N@@H+](CC)C[C@H]2CC)cc1[N+](=O)[O-] ZINC000581188328 671871860 /nfs/dbraw/zinc/87/18/60/671871860.db2.gz WSEBUFOIFGLYPR-CQSZACIVSA-N 1 2 355.460 2.262 20 5 FEBDLO CCc1ccc(S(=O)(=O)N2CC[N@H+](CC)C[C@H]2CC)cc1[N+](=O)[O-] ZINC000581188328 671871863 /nfs/dbraw/zinc/87/18/63/671871863.db2.gz WSEBUFOIFGLYPR-CQSZACIVSA-N 1 2 355.460 2.262 20 5 FEBDLO CN(C[C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000151916562 672171353 /nfs/dbraw/zinc/17/13/53/672171353.db2.gz TZXYBJCVDUAKEJ-ZDUSSCGKSA-N 1 2 353.423 2.328 20 5 FEBDLO CN(C[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000151916562 672171358 /nfs/dbraw/zinc/17/13/58/672171358.db2.gz TZXYBJCVDUAKEJ-ZDUSSCGKSA-N 1 2 353.423 2.328 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1C ZINC000610800534 675997727 /nfs/dbraw/zinc/99/77/27/675997727.db2.gz XZNKOBOWEKDVTC-AWEZNQCLSA-N 1 2 364.427 2.434 20 5 FEBDLO CN(C)c1cc[nH+]c(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)c1 ZINC000612346637 676078288 /nfs/dbraw/zinc/07/82/88/676078288.db2.gz LFTICMXOIVDTII-UHFFFAOYSA-N 1 2 362.411 2.393 20 5 FEBDLO CCC(C)(C)[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000594594037 673104122 /nfs/dbraw/zinc/10/41/22/673104122.db2.gz IVTSRUXUCRXLOJ-UHFFFAOYSA-N 1 2 355.460 2.309 20 5 FEBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595393506 673240864 /nfs/dbraw/zinc/24/08/64/673240864.db2.gz QLWWZVHKPMUNSB-OAHLLOKOSA-N 1 2 361.423 2.148 20 5 FEBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000595393506 673240865 /nfs/dbraw/zinc/24/08/65/673240865.db2.gz QLWWZVHKPMUNSB-OAHLLOKOSA-N 1 2 361.423 2.148 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000595393470 673240891 /nfs/dbraw/zinc/24/08/91/673240891.db2.gz BITOPGAQQNTIIW-INIZCTEOSA-N 1 2 361.423 2.148 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000595393470 673240893 /nfs/dbraw/zinc/24/08/93/673240893.db2.gz BITOPGAQQNTIIW-INIZCTEOSA-N 1 2 361.423 2.148 20 5 FEBDLO O=C(C[N@@H+]1CCC[C@H](CCF)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595755478 673289426 /nfs/dbraw/zinc/28/94/26/673289426.db2.gz MFVOJTCNWPBZOM-LLVKDONJSA-N 1 2 353.350 2.334 20 5 FEBDLO O=C(C[N@H+]1CCC[C@H](CCF)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595755478 673289429 /nfs/dbraw/zinc/28/94/29/673289429.db2.gz MFVOJTCNWPBZOM-LLVKDONJSA-N 1 2 353.350 2.334 20 5 FEBDLO COc1ccc(C[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000732200234 673357106 /nfs/dbraw/zinc/35/71/06/673357106.db2.gz YIMJQAGVVYFVGS-LLVKDONJSA-N 1 2 361.320 2.198 20 5 FEBDLO COc1ccc(C[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000732200234 673357109 /nfs/dbraw/zinc/35/71/09/673357109.db2.gz YIMJQAGVVYFVGS-LLVKDONJSA-N 1 2 361.320 2.198 20 5 FEBDLO C[C@H]1C[N@H+](CCNc2ncc(Br)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596428050 673384428 /nfs/dbraw/zinc/38/44/28/673384428.db2.gz GSJWKXRFUCUHGD-UWVGGRQHSA-N 1 2 359.224 2.273 20 5 FEBDLO C[C@H]1C[N@@H+](CCNc2ncc(Br)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596428050 673384431 /nfs/dbraw/zinc/38/44/31/673384431.db2.gz GSJWKXRFUCUHGD-UWVGGRQHSA-N 1 2 359.224 2.273 20 5 FEBDLO O=[N+]([O-])c1cc2c(ncnc2N(CC[NH+]2CCOCC2)CC2CC2)s1 ZINC000596514172 673390757 /nfs/dbraw/zinc/39/07/57/673390757.db2.gz IIFKYKLTAVQJSM-UHFFFAOYSA-N 1 2 363.443 2.148 20 5 FEBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598946280 673624407 /nfs/dbraw/zinc/62/44/07/673624407.db2.gz FQGHFWXPZPYZHD-GFCCVEGCSA-N 1 2 364.789 2.345 20 5 FEBDLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000599557575 673691342 /nfs/dbraw/zinc/69/13/42/673691342.db2.gz AEJVDQLNCFJZRH-CQSZACIVSA-N 1 2 362.304 2.378 20 5 FEBDLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000599557575 673691344 /nfs/dbraw/zinc/69/13/44/673691344.db2.gz AEJVDQLNCFJZRH-CQSZACIVSA-N 1 2 362.304 2.378 20 5 FEBDLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000599691265 673706414 /nfs/dbraw/zinc/70/64/14/673706414.db2.gz COZIGONGDOWYQO-NSHDSACASA-N 1 2 361.851 2.009 20 5 FEBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000599691265 673706417 /nfs/dbraw/zinc/70/64/17/673706417.db2.gz COZIGONGDOWYQO-NSHDSACASA-N 1 2 361.851 2.009 20 5 FEBDLO Cc1nnc([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000545350122 673761703 /nfs/dbraw/zinc/76/17/03/673761703.db2.gz RAXOGLLTJOAWEW-SECBINFHSA-N 1 2 358.383 2.431 20 5 FEBDLO COCC[NH+]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602436653 673906094 /nfs/dbraw/zinc/90/60/94/673906094.db2.gz XUAKEXQRADGXFK-UHFFFAOYSA-N 1 2 364.265 2.183 20 5 FEBDLO COC[C@@]1(CO)CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000825158729 675639302 /nfs/dbraw/zinc/63/93/02/675639302.db2.gz XQTCOZDHFPRMSQ-AWEZNQCLSA-N 1 2 359.220 2.188 20 5 FEBDLO COC[C@@]1(CO)CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000825158729 675639304 /nfs/dbraw/zinc/63/93/04/675639304.db2.gz XQTCOZDHFPRMSQ-AWEZNQCLSA-N 1 2 359.220 2.188 20 5 FEBDLO CCc1cnc(N2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000749692105 680066927 /nfs/dbraw/zinc/06/69/27/680066927.db2.gz POYUBYWQAYPNQT-INIZCTEOSA-N 1 2 362.455 2.469 20 5 FEBDLO Cn1nc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1Cl ZINC000835458399 680335173 /nfs/dbraw/zinc/33/51/73/680335173.db2.gz PUZPGGACCQZYKE-ZDUSSCGKSA-N 1 2 364.789 2.413 20 5 FEBDLO Cn1nc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1Cl ZINC000835458399 680335177 /nfs/dbraw/zinc/33/51/77/680335177.db2.gz PUZPGGACCQZYKE-ZDUSSCGKSA-N 1 2 364.789 2.413 20 5 FEBDLO O=C(NCC1=CC[N@H+](Cc2cc(Cl)ccc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000671563 680436982 /nfs/dbraw/zinc/43/69/82/680436982.db2.gz VZMNAQLNFXUZRG-GDBMZVCRSA-N 1 2 367.808 2.393 20 5 FEBDLO O=C(NCC1=CC[N@@H+](Cc2cc(Cl)ccc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000671563 680436985 /nfs/dbraw/zinc/43/69/85/680436985.db2.gz VZMNAQLNFXUZRG-GDBMZVCRSA-N 1 2 367.808 2.393 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C[NH+](Cc3ccc(Cl)s3)C2)CC1 ZINC001035704785 680451262 /nfs/dbraw/zinc/45/12/62/680451262.db2.gz YDSDZROQGKAVNT-CHWSQXEVSA-N 1 2 369.874 2.491 20 5 FEBDLO O=C(NC1CC[NH+](Cc2cc(F)ccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002783468 680507852 /nfs/dbraw/zinc/50/78/52/680507852.db2.gz SVOHSYGPRLNKEB-UKRRQHHQSA-N 1 2 355.797 2.225 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000770717344 681025323 /nfs/dbraw/zinc/02/53/23/681025323.db2.gz QKMZHWADWGIAJK-WDEREUQCSA-N 1 2 361.851 2.270 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000770717344 681025324 /nfs/dbraw/zinc/02/53/24/681025324.db2.gz QKMZHWADWGIAJK-WDEREUQCSA-N 1 2 361.851 2.270 20 5 FEBDLO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000772319941 681092688 /nfs/dbraw/zinc/09/26/88/681092688.db2.gz DAARCZVJBLWQFV-QWHCGFSZSA-N 1 2 353.423 2.121 20 5 FEBDLO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000772319941 681092690 /nfs/dbraw/zinc/09/26/90/681092690.db2.gz DAARCZVJBLWQFV-QWHCGFSZSA-N 1 2 353.423 2.121 20 5 FEBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000774515481 681197467 /nfs/dbraw/zinc/19/74/67/681197467.db2.gz HWZWABCHHXAPJO-VIFPVBQESA-N 1 2 360.342 2.288 20 5 FEBDLO Cc1nc(CN2CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000776576001 681409729 /nfs/dbraw/zinc/40/97/29/681409729.db2.gz ZAHPRBQQAMRNGS-KRWDZBQOSA-N 1 2 362.455 2.211 20 5 FEBDLO C[C@@H]1[C@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)CCN1C(=O)OC(C)(C)C ZINC000776606778 681415609 /nfs/dbraw/zinc/41/56/09/681415609.db2.gz NONXYYJVNZOYTP-QWHCGFSZSA-N 1 2 353.423 2.121 20 5 FEBDLO C[C@@H]1[C@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCN1C(=O)OC(C)(C)C ZINC000776606778 681415614 /nfs/dbraw/zinc/41/56/14/681415614.db2.gz NONXYYJVNZOYTP-QWHCGFSZSA-N 1 2 353.423 2.121 20 5 FEBDLO C[C@]12CSC[C@H]1C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000934765045 681627053 /nfs/dbraw/zinc/62/70/53/681627053.db2.gz BNMIYYMTVHCBMN-DOMZBBRYSA-N 1 2 356.469 2.053 20 5 FEBDLO C[C@]12CSC[C@H]1C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000934765045 681627056 /nfs/dbraw/zinc/62/70/56/681627056.db2.gz BNMIYYMTVHCBMN-DOMZBBRYSA-N 1 2 356.469 2.053 20 5 FEBDLO O=[N+]([O-])c1cn(Cc2[nH+]ccn2CC(F)(F)F)c(Br)n1 ZINC000849991638 681836278 /nfs/dbraw/zinc/83/62/78/681836278.db2.gz UEPUQHHCNUQPEY-UHFFFAOYSA-N 1 2 354.086 2.361 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000784913925 682260449 /nfs/dbraw/zinc/26/04/49/682260449.db2.gz IBTFKGOXUTXWTK-GFCCVEGCSA-N 1 2 372.805 2.281 20 5 FEBDLO C[C@H](C[NH+]1CCOCC1)N(C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000788377685 682525902 /nfs/dbraw/zinc/52/59/02/682525902.db2.gz OENSASWKCBOSFG-GFCCVEGCSA-N 1 2 367.837 2.208 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)cc1F ZINC000856787431 682810570 /nfs/dbraw/zinc/81/05/70/682810570.db2.gz BUHMFJHXYPBGIR-OAHLLOKOSA-N 1 2 350.371 2.493 20 5 FEBDLO CON(C)C(=O)[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000858319933 682957031 /nfs/dbraw/zinc/95/70/31/682957031.db2.gz KSQOURMBLKPMJV-JTQLQIEISA-N 1 2 350.400 2.216 20 5 FEBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927765437 683307392 /nfs/dbraw/zinc/30/73/92/683307392.db2.gz QFOZXQARFYGQLX-UHFFFAOYSA-N 1 2 364.427 2.442 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000929366294 683585348 /nfs/dbraw/zinc/58/53/48/683585348.db2.gz CKTZJXZBSDVHPF-CQSZACIVSA-N 1 2 365.455 2.254 20 5 FEBDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000922493556 683734906 /nfs/dbraw/zinc/73/49/06/683734906.db2.gz RANOBAAQYOQANR-ZDUSSCGKSA-N 1 2 373.203 2.121 20 5 FEBDLO CC[N@H+]1CCO[C@H](C(=O)OCc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000922493556 683734911 /nfs/dbraw/zinc/73/49/11/683734911.db2.gz RANOBAAQYOQANR-ZDUSSCGKSA-N 1 2 373.203 2.121 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000866732434 684141140 /nfs/dbraw/zinc/14/11/40/684141140.db2.gz SJIBCCWDOXXQLB-GFCCVEGCSA-N 1 2 368.390 2.265 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000931417469 684280739 /nfs/dbraw/zinc/28/07/39/684280739.db2.gz WXWQHLZHJSTVOY-UHFFFAOYSA-N 1 2 353.444 2.157 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000931417469 684280742 /nfs/dbraw/zinc/28/07/42/684280742.db2.gz WXWQHLZHJSTVOY-UHFFFAOYSA-N 1 2 353.444 2.157 20 5 FEBDLO COCCC[N@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000876549105 686217121 /nfs/dbraw/zinc/21/71/21/686217121.db2.gz GGPCJQRANVRWAJ-OAHLLOKOSA-N 1 2 370.471 2.237 20 5 FEBDLO COCCC[N@@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000876549105 686217127 /nfs/dbraw/zinc/21/71/27/686217127.db2.gz GGPCJQRANVRWAJ-OAHLLOKOSA-N 1 2 370.471 2.237 20 5 FEBDLO CC(C)(CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000905210276 691081553 /nfs/dbraw/zinc/08/15/53/691081553.db2.gz OSNSKPCFBPSEOK-UHFFFAOYSA-N 1 2 369.849 2.408 20 5 FEBDLO O=C(NCCCn1cc[nH+]c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000023238518 539709435 /nfs/dbraw/zinc/70/94/35/539709435.db2.gz LOGPUQYJPJHDGA-UHFFFAOYSA-N 1 2 357.414 2.214 20 5 FEBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccncc2)CC1 ZINC000023800767 539720692 /nfs/dbraw/zinc/72/06/92/539720692.db2.gz GSXBEHKIZDCWAL-AATRIKPKSA-N 1 2 352.394 2.347 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026483893 539788497 /nfs/dbraw/zinc/78/84/97/539788497.db2.gz QBFJMWLIVBSTFM-CQSZACIVSA-N 1 2 355.398 2.139 20 5 FEBDLO CC(=O)c1ccccc1OCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026485249 539788508 /nfs/dbraw/zinc/78/85/08/539788508.db2.gz JOPNQJWWFJBIPD-UHFFFAOYSA-N 1 2 370.409 2.393 20 5 FEBDLO O=C(NC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1)C1CC1 ZINC000030279098 539877516 /nfs/dbraw/zinc/87/75/16/539877516.db2.gz FZSLGQGMXDFLCK-UHFFFAOYSA-N 1 2 371.397 2.135 20 5 FEBDLO O=C(C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)NC(C1CC1)C1CC1 ZINC000030912216 539893409 /nfs/dbraw/zinc/89/34/09/539893409.db2.gz OEIPNUOBBFEZHJ-UHFFFAOYSA-N 1 2 358.442 2.022 20 5 FEBDLO Cc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[NH+]2CCOCC2)c1 ZINC000042075190 540049555 /nfs/dbraw/zinc/04/95/55/540049555.db2.gz XGFXXZZOXQREPR-KRWDZBQOSA-N 1 2 358.398 2.035 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000044790257 540141796 /nfs/dbraw/zinc/14/17/96/540141796.db2.gz IFPMPLLQFWTEMT-UHFFFAOYSA-N 1 2 366.786 2.374 20 5 FEBDLO Nc1nc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc2ccccc12 ZINC000052844614 540493117 /nfs/dbraw/zinc/49/31/17/540493117.db2.gz UQJCEBBQIYZIHO-UHFFFAOYSA-N 1 2 364.409 2.442 20 5 FEBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000054646086 540599605 /nfs/dbraw/zinc/59/96/05/540599605.db2.gz WVTJPGXDVVAWLL-UHFFFAOYSA-N 1 2 355.398 2.064 20 5 FEBDLO O=C(C[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000054395328 540588653 /nfs/dbraw/zinc/58/86/53/540588653.db2.gz XJYYFBYPTCUDJQ-KRWDZBQOSA-N 1 2 368.393 2.097 20 5 FEBDLO O=C(C[N@H+]1CCNC(=O)C[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000054395328 540588656 /nfs/dbraw/zinc/58/86/56/540588656.db2.gz XJYYFBYPTCUDJQ-KRWDZBQOSA-N 1 2 368.393 2.097 20 5 FEBDLO COc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1O ZINC000054795696 540610428 /nfs/dbraw/zinc/61/04/28/540610428.db2.gz IBLXOPVVCOZPAM-UHFFFAOYSA-N 1 2 368.349 2.425 20 5 FEBDLO O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1C[NH+]1CCOCC1 ZINC000055816024 540679294 /nfs/dbraw/zinc/67/92/94/540679294.db2.gz RZXKFJWLROQSCG-UHFFFAOYSA-N 1 2 371.393 2.445 20 5 FEBDLO Cc1ccc2[nH+]c(CNC(=O)NCCNc3ccccc3[N+](=O)[O-])cn2c1 ZINC000057228114 540780712 /nfs/dbraw/zinc/78/07/12/540780712.db2.gz VNBVJEUYEYAZRT-UHFFFAOYSA-N 1 2 368.397 2.462 20 5 FEBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1[nH+]ccn1CC(F)(F)F ZINC000057742095 540813070 /nfs/dbraw/zinc/81/30/70/540813070.db2.gz NWILJRLAVFCBPU-UHFFFAOYSA-N 1 2 354.244 2.150 20 5 FEBDLO COc1cc(OCC(=O)NCC[NH+]2Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000068252599 541568284 /nfs/dbraw/zinc/56/82/84/541568284.db2.gz WIVXNEGKKKFJGD-UHFFFAOYSA-N 1 2 371.393 2.114 20 5 FEBDLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000076017617 542224310 /nfs/dbraw/zinc/22/43/10/542224310.db2.gz JMPSUKLAWLWIIM-UHFFFAOYSA-N 1 2 363.439 2.314 20 5 FEBDLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000076017617 542224313 /nfs/dbraw/zinc/22/43/13/542224313.db2.gz JMPSUKLAWLWIIM-UHFFFAOYSA-N 1 2 363.439 2.314 20 5 FEBDLO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000088594633 542753334 /nfs/dbraw/zinc/75/33/34/542753334.db2.gz ITPCDTFHLYOFQH-CVEARBPZSA-N 1 2 360.458 2.284 20 5 FEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000088594633 542753337 /nfs/dbraw/zinc/75/33/37/542753337.db2.gz ITPCDTFHLYOFQH-CVEARBPZSA-N 1 2 360.458 2.284 20 5 FEBDLO Cc1ccc(CN2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000093077736 542906772 /nfs/dbraw/zinc/90/67/72/542906772.db2.gz AVAJQPWJRUHCDS-MRXNPFEDSA-N 1 2 374.485 2.468 20 5 FEBDLO Cc1ccc(C[NH+]2CCN([C@H](C)C(=O)NC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000093077736 542906775 /nfs/dbraw/zinc/90/67/75/542906775.db2.gz AVAJQPWJRUHCDS-MRXNPFEDSA-N 1 2 374.485 2.468 20 5 FEBDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000103474546 543109249 /nfs/dbraw/zinc/10/92/49/543109249.db2.gz OMGQDIOLJZIQII-LBPRGKRZSA-N 1 2 361.402 2.186 20 5 FEBDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000103474546 543109251 /nfs/dbraw/zinc/10/92/51/543109251.db2.gz OMGQDIOLJZIQII-LBPRGKRZSA-N 1 2 361.402 2.186 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c2c(c1)COCO2 ZINC000109759515 543337611 /nfs/dbraw/zinc/33/76/11/543337611.db2.gz JQNSYGTXLLQVBJ-JSGCOSHPSA-N 1 2 362.304 2.349 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c2c(c1)COCO2 ZINC000109759515 543337614 /nfs/dbraw/zinc/33/76/14/543337614.db2.gz JQNSYGTXLLQVBJ-JSGCOSHPSA-N 1 2 362.304 2.349 20 5 FEBDLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118865986 543660661 /nfs/dbraw/zinc/66/06/61/543660661.db2.gz VHAYFGCWPRRSEJ-IJEWVQPXSA-N 1 2 361.446 2.171 20 5 FEBDLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118865986 543660662 /nfs/dbraw/zinc/66/06/62/543660662.db2.gz VHAYFGCWPRRSEJ-IJEWVQPXSA-N 1 2 361.446 2.171 20 5 FEBDLO Cc1nc(CC[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000129015000 544086193 /nfs/dbraw/zinc/08/61/93/544086193.db2.gz YCGOKSHPOFPQCY-UHFFFAOYSA-N 1 2 360.439 2.360 20 5 FEBDLO CCNC(=O)CN1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000129188236 544095740 /nfs/dbraw/zinc/09/57/40/544095740.db2.gz DVXQXQRGRLROTH-UHFFFAOYSA-N 1 2 372.425 2.109 20 5 FEBDLO Cc1c(CN2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000130466200 544152226 /nfs/dbraw/zinc/15/22/26/544152226.db2.gz IXEPRHVPTBTEDE-INIZCTEOSA-N 1 2 360.458 2.032 20 5 FEBDLO Cc1c(C[NH+]2CCN([C@@H](C)C(=O)N3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000130466200 544152227 /nfs/dbraw/zinc/15/22/27/544152227.db2.gz IXEPRHVPTBTEDE-INIZCTEOSA-N 1 2 360.458 2.032 20 5 FEBDLO Cc1cccc(OCCNC(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153037256 544725924 /nfs/dbraw/zinc/72/59/24/544725924.db2.gz HOTOTWJQDDNIQZ-UHFFFAOYSA-N 1 2 369.421 2.457 20 5 FEBDLO Cc1cccc(OCCNC(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153037256 544725927 /nfs/dbraw/zinc/72/59/27/544725927.db2.gz HOTOTWJQDDNIQZ-UHFFFAOYSA-N 1 2 369.421 2.457 20 5 FEBDLO Cc1cccn2cc(CNS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000180250826 327678006 /nfs/dbraw/zinc/67/80/06/327678006.db2.gz RYTFBULODRLNHE-UHFFFAOYSA-N 1 2 360.395 2.171 20 5 FEBDLO C[C@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@@H]1n1cc[nH+]c1 ZINC000182397582 327773561 /nfs/dbraw/zinc/77/35/61/327773561.db2.gz FEWNJMRVHBQUGM-FZMZJTMJSA-N 1 2 358.354 2.243 20 5 FEBDLO C[C@H]([C@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000184652357 327877225 /nfs/dbraw/zinc/87/72/25/327877225.db2.gz HPSJOWZWMQOFQC-NWDGAFQWSA-N 1 2 370.837 2.157 20 5 FEBDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000188781242 328110448 /nfs/dbraw/zinc/11/04/48/328110448.db2.gz TZAMJTNXIARWIT-RDJZCZTQSA-N 1 2 360.366 2.353 20 5 FEBDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000188781242 328110450 /nfs/dbraw/zinc/11/04/50/328110450.db2.gz TZAMJTNXIARWIT-RDJZCZTQSA-N 1 2 360.366 2.353 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000188833528 328113431 /nfs/dbraw/zinc/11/34/31/328113431.db2.gz PXBDUUQOQAAWLF-UHFFFAOYSA-N 1 2 371.397 2.457 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000189344891 328142153 /nfs/dbraw/zinc/14/21/53/328142153.db2.gz SMEVAYHWYIDDQM-MKBNYLNASA-N 1 2 351.403 2.287 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000189344891 328142154 /nfs/dbraw/zinc/14/21/54/328142154.db2.gz SMEVAYHWYIDDQM-MKBNYLNASA-N 1 2 351.403 2.287 20 5 FEBDLO Cc1cc(C)c(S(=O)(=O)N(C)c2ccc[nH+]c2N(C)C)cc1[N+](=O)[O-] ZINC000191903501 328287830 /nfs/dbraw/zinc/28/78/30/328287830.db2.gz PKEURTIJTSHRAP-UHFFFAOYSA-N 1 2 364.427 2.498 20 5 FEBDLO COC(=O)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000191851936 328285013 /nfs/dbraw/zinc/28/50/13/328285013.db2.gz PPIGTNORQQSJPJ-OCCSQVGLSA-N 1 2 372.381 2.052 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2c(F)cccc2F)C2CC2)c1 ZINC000192300675 328312081 /nfs/dbraw/zinc/31/20/81/328312081.db2.gz KDEWIVHDLQQUHY-CYBMUJFWSA-N 1 2 352.341 2.095 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](Cc2c(F)cccc2F)C2CC2)c1 ZINC000192300675 328312082 /nfs/dbraw/zinc/31/20/82/328312082.db2.gz KDEWIVHDLQQUHY-CYBMUJFWSA-N 1 2 352.341 2.095 20 5 FEBDLO CCOC(=O)CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000194212448 328415459 /nfs/dbraw/zinc/41/54/59/328415459.db2.gz AIRWMNALOOPSHF-UHFFFAOYSA-N 1 2 360.370 2.194 20 5 FEBDLO COc1cc(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000194600975 328431610 /nfs/dbraw/zinc/43/16/10/328431610.db2.gz GTTZRLSBCZYXIQ-UHFFFAOYSA-N 1 2 353.338 2.114 20 5 FEBDLO O=C(CNc1ccccc1[N+](=O)[O-])NCc1cc[nH+]c(N2CCCC2)c1 ZINC000065859538 324880711 /nfs/dbraw/zinc/88/07/11/324880711.db2.gz QHTIKSVYBSRWDS-UHFFFAOYSA-N 1 2 355.398 2.318 20 5 FEBDLO Cc1cccn2cc(CNC(=O)CN(C)c3ccccc3[N+](=O)[O-])[nH+]c12 ZINC000080121074 325118540 /nfs/dbraw/zinc/11/85/40/325118540.db2.gz TYNUVTMMCLBPTM-UHFFFAOYSA-N 1 2 353.382 2.304 20 5 FEBDLO CCc1ccc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1[N+](=O)[O-] ZINC000081831382 325200513 /nfs/dbraw/zinc/20/05/13/325200513.db2.gz BLNGXSPSIWVEND-UHFFFAOYSA-N 1 2 370.409 2.319 20 5 FEBDLO O=[N+]([O-])c1ccc2oc(CN3CCCC[C@@H]3C[NH+]3CCOCC3)nc2c1 ZINC000083171829 325214089 /nfs/dbraw/zinc/21/40/89/325214089.db2.gz CUCJPLUTJAAGJJ-OAHLLOKOSA-N 1 2 360.414 2.423 20 5 FEBDLO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606199 325298503 /nfs/dbraw/zinc/29/85/03/325298503.db2.gz APGSFTNNAXSZHE-ZDUSSCGKSA-N 1 2 374.441 2.500 20 5 FEBDLO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606199 325298508 /nfs/dbraw/zinc/29/85/08/325298508.db2.gz APGSFTNNAXSZHE-ZDUSSCGKSA-N 1 2 374.441 2.500 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCN(CC(F)F)CC3)o2)cc1 ZINC000091084699 325373573 /nfs/dbraw/zinc/37/35/73/325373573.db2.gz MQRASPBATKMCGH-UHFFFAOYSA-N 1 2 367.356 2.418 20 5 FEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCCN(CC(F)F)CC3)o2)cc1 ZINC000091084699 325373575 /nfs/dbraw/zinc/37/35/75/325373575.db2.gz MQRASPBATKMCGH-UHFFFAOYSA-N 1 2 367.356 2.418 20 5 FEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H](C2OCCO2)C1 ZINC000110848806 325693893 /nfs/dbraw/zinc/69/38/93/325693893.db2.gz MRRKLYPNYMZQEK-CQSZACIVSA-N 1 2 372.381 2.006 20 5 FEBDLO CCC[C@@](C)([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(=O)OC ZINC000117340924 326058293 /nfs/dbraw/zinc/05/82/93/326058293.db2.gz SEGWTXUABLPQTN-QGZVFWFLSA-N 1 2 365.386 2.214 20 5 FEBDLO COc1cccc(NC(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118866822 326109841 /nfs/dbraw/zinc/10/98/41/326109841.db2.gz PVHVPJXKGGGTJG-AWEZNQCLSA-N 1 2 371.397 2.123 20 5 FEBDLO COc1cccc(NC(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118866822 326109845 /nfs/dbraw/zinc/10/98/45/326109845.db2.gz PVHVPJXKGGGTJG-AWEZNQCLSA-N 1 2 371.397 2.123 20 5 FEBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000119687650 326188139 /nfs/dbraw/zinc/18/81/39/326188139.db2.gz IUQPSEMKYZDKJX-AWEZNQCLSA-N 1 2 358.398 2.188 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000119861925 326206278 /nfs/dbraw/zinc/20/62/78/326206278.db2.gz CNLSZPJXQQWDFX-UHFFFAOYSA-N 1 2 350.419 2.444 20 5 FEBDLO Cc1cc[nH+]c(N2CCN([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000119954077 326215616 /nfs/dbraw/zinc/21/56/16/326215616.db2.gz OLZVEMJWEVUBCL-OAHLLOKOSA-N 1 2 369.425 2.447 20 5 FEBDLO CN(CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1[N+](=O)[O-] ZINC000119962759 326216923 /nfs/dbraw/zinc/21/69/23/326216923.db2.gz NCOQKWWOADRACV-OAHLLOKOSA-N 1 2 371.441 2.246 20 5 FEBDLO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120607814 326272047 /nfs/dbraw/zinc/27/20/47/326272047.db2.gz GBQLPJTYLKUZKY-OAHLLOKOSA-N 1 2 358.310 2.192 20 5 FEBDLO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000121402382 326335945 /nfs/dbraw/zinc/33/59/45/326335945.db2.gz PPYVAHUZYPENHH-NSHDSACASA-N 1 2 354.363 2.373 20 5 FEBDLO Cc1sc(S(=O)(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000125514550 326473065 /nfs/dbraw/zinc/47/30/65/326473065.db2.gz ZCRMCGQKXDAISB-ZWNOBZJWSA-N 1 2 370.456 2.433 20 5 FEBDLO O=C(N[C@H](CO)c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000132252616 326589502 /nfs/dbraw/zinc/58/95/02/326589502.db2.gz QAVOIEQWVHXSPL-OAHLLOKOSA-N 1 2 352.350 2.244 20 5 FEBDLO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161266725 326993759 /nfs/dbraw/zinc/99/37/59/326993759.db2.gz MVLGULTUFPNELH-CQSZACIVSA-N 1 2 355.398 2.187 20 5 FEBDLO O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000163028825 327040864 /nfs/dbraw/zinc/04/08/64/327040864.db2.gz ISIPVONNYKKMDB-CZUORRHYSA-N 1 2 372.425 2.009 20 5 FEBDLO O=C(C[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000163028825 327040865 /nfs/dbraw/zinc/04/08/65/327040865.db2.gz ISIPVONNYKKMDB-CZUORRHYSA-N 1 2 372.425 2.009 20 5 FEBDLO CSc1ccc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000170885086 327105074 /nfs/dbraw/zinc/10/50/74/327105074.db2.gz DLXPEHBDQYMLLZ-VXGBXAGGSA-N 1 2 353.444 2.156 20 5 FEBDLO O=C(C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000172044252 327177720 /nfs/dbraw/zinc/17/77/20/327177720.db2.gz MPAGRGAIWRYGPX-SOSAQKQKSA-N 1 2 353.806 2.280 20 5 FEBDLO O=C(C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000172044252 327177721 /nfs/dbraw/zinc/17/77/21/327177721.db2.gz MPAGRGAIWRYGPX-SOSAQKQKSA-N 1 2 353.806 2.280 20 5 FEBDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)S1 ZINC000173076451 327233729 /nfs/dbraw/zinc/23/37/29/327233729.db2.gz AQBYRURUMGCAHA-JTQLQIEISA-N 1 2 368.846 2.497 20 5 FEBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173767002 327282865 /nfs/dbraw/zinc/28/28/65/327282865.db2.gz HLSBLFWWCBNNBO-OAHLLOKOSA-N 1 2 354.410 2.438 20 5 FEBDLO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000174883449 327358092 /nfs/dbraw/zinc/35/80/92/327358092.db2.gz WLYPCMOIRIAVIO-LBPRGKRZSA-N 1 2 352.395 2.040 20 5 FEBDLO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000174883449 327358093 /nfs/dbraw/zinc/35/80/93/327358093.db2.gz WLYPCMOIRIAVIO-LBPRGKRZSA-N 1 2 352.395 2.040 20 5 FEBDLO Cc1nc(N2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)cc[nH+]1 ZINC000274114972 329916868 /nfs/dbraw/zinc/91/68/68/329916868.db2.gz ZXYGHJKRCKOMRI-UHFFFAOYSA-N 1 2 360.349 2.186 20 5 FEBDLO Cc1nc(N2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CC2)cc[nH+]1 ZINC000274122733 329917746 /nfs/dbraw/zinc/91/77/46/329917746.db2.gz BBKNZKLFSLSWIE-UHFFFAOYSA-N 1 2 366.381 2.137 20 5 FEBDLO COC(=O)[C@H]1C[C@@H](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000274800778 329981430 /nfs/dbraw/zinc/98/14/30/329981430.db2.gz OKCZIBDVGCYVHA-BLLLJJGKSA-N 1 2 372.381 2.194 20 5 FEBDLO COc1cc[nH+]cc1CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000294217610 330193675 /nfs/dbraw/zinc/19/36/75/330193675.db2.gz MADQSNOZOIUZKQ-UHFFFAOYSA-N 1 2 371.397 2.030 20 5 FEBDLO Cc1nc(C2CC[NH+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2)no1 ZINC000156858218 545670128 /nfs/dbraw/zinc/67/01/28/545670128.db2.gz DBAADSKNFWVLET-UHFFFAOYSA-N 1 2 371.397 2.055 20 5 FEBDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)S1 ZINC000176646571 546472200 /nfs/dbraw/zinc/47/22/00/546472200.db2.gz BCKVWEFLOKDVEI-JTQLQIEISA-N 1 2 368.846 2.497 20 5 FEBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3ncc(C)cc3[N+](=O)[O-])CC2)no1 ZINC000480784534 561216838 /nfs/dbraw/zinc/21/68/38/561216838.db2.gz BWVZMAMEJNIQJN-AWEZNQCLSA-N 1 2 360.418 2.481 20 5 FEBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3ncc(C)cc3[N+](=O)[O-])CC2)no1 ZINC000480784534 561216839 /nfs/dbraw/zinc/21/68/39/561216839.db2.gz BWVZMAMEJNIQJN-AWEZNQCLSA-N 1 2 360.418 2.481 20 5 FEBDLO CC(C)(C)NC(=O)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000481116058 561225609 /nfs/dbraw/zinc/22/56/09/561225609.db2.gz PCSIECFHBJRPJE-UHFFFAOYSA-N 1 2 350.419 2.099 20 5 FEBDLO Cn1c2ccccc2[nH+]c1Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000178102237 546739124 /nfs/dbraw/zinc/73/91/24/546739124.db2.gz IGRKJHFNRDXYMI-UHFFFAOYSA-N 1 2 363.171 2.454 20 5 FEBDLO COC(=O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000179120097 546902449 /nfs/dbraw/zinc/90/24/49/546902449.db2.gz XFJQISAXXAEYKA-LLVKDONJSA-N 1 2 355.778 2.214 20 5 FEBDLO COC(=O)C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000179120097 546902454 /nfs/dbraw/zinc/90/24/54/546902454.db2.gz XFJQISAXXAEYKA-LLVKDONJSA-N 1 2 355.778 2.214 20 5 FEBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000180784436 547179922 /nfs/dbraw/zinc/17/99/22/547179922.db2.gz RXFKDHPBGXCSFO-CYBMUJFWSA-N 1 2 355.398 2.091 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000483014016 561264930 /nfs/dbraw/zinc/26/49/30/561264930.db2.gz MBBFDUNVICFMKV-MRXNPFEDSA-N 1 2 363.414 2.112 20 5 FEBDLO CC(C)[C@H]1C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000181931641 547407679 /nfs/dbraw/zinc/40/76/79/547407679.db2.gz XMUFZOVABXVWNP-OAHLLOKOSA-N 1 2 358.485 2.442 20 5 FEBDLO CC(C)[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000181931641 547407686 /nfs/dbraw/zinc/40/76/86/547407686.db2.gz XMUFZOVABXVWNP-OAHLLOKOSA-N 1 2 358.485 2.442 20 5 FEBDLO Cn1cc(C[NH+]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)cn1 ZINC000485040251 561311144 /nfs/dbraw/zinc/31/11/44/561311144.db2.gz AVWJOMRKSZFIBN-UHFFFAOYSA-N 1 2 352.398 2.199 20 5 FEBDLO O=C(C[NH2+][C@H](CCO)c1ccco1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000185076084 547928227 /nfs/dbraw/zinc/92/82/27/547928227.db2.gz MHQCLNXPPWQEIG-GFCCVEGCSA-N 1 2 353.762 2.493 20 5 FEBDLO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000486650427 561353433 /nfs/dbraw/zinc/35/34/33/561353433.db2.gz YXBVCRNYUFEUBU-CYBMUJFWSA-N 1 2 361.851 2.209 20 5 FEBDLO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000486650427 561353434 /nfs/dbraw/zinc/35/34/34/561353434.db2.gz YXBVCRNYUFEUBU-CYBMUJFWSA-N 1 2 361.851 2.209 20 5 FEBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000487144625 561364782 /nfs/dbraw/zinc/36/47/82/561364782.db2.gz GRERHGWFVWVBKM-UHFFFAOYSA-N 1 2 366.333 2.439 20 5 FEBDLO CC(C)(CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000198354470 548660546 /nfs/dbraw/zinc/66/05/46/548660546.db2.gz DMUYODNCGKSQEX-UHFFFAOYSA-N 1 2 362.430 2.010 20 5 FEBDLO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(N)[nH+]c2)ccc1[N+](=O)[O-] ZINC000237842369 548858082 /nfs/dbraw/zinc/85/80/82/548858082.db2.gz RRSZXJFMPVXFHV-OAHLLOKOSA-N 1 2 369.381 2.124 20 5 FEBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[C@H]2C1 ZINC000246049659 549041958 /nfs/dbraw/zinc/04/19/58/549041958.db2.gz AVESDGXSUCAGFO-OWCLPIDISA-N 1 2 374.397 2.413 20 5 FEBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[C@H]2C1 ZINC000246049659 549041960 /nfs/dbraw/zinc/04/19/60/549041960.db2.gz AVESDGXSUCAGFO-OWCLPIDISA-N 1 2 374.397 2.413 20 5 FEBDLO CC(C)CN1C[C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000488754000 561396175 /nfs/dbraw/zinc/39/61/75/561396175.db2.gz OBKYTPMAZBEOCJ-MRXNPFEDSA-N 1 2 362.430 2.051 20 5 FEBDLO CC(C)CN1C[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000488754000 561396176 /nfs/dbraw/zinc/39/61/76/561396176.db2.gz OBKYTPMAZBEOCJ-MRXNPFEDSA-N 1 2 362.430 2.051 20 5 FEBDLO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H](C)C1 ZINC000248450324 549440142 /nfs/dbraw/zinc/44/01/42/549440142.db2.gz FNNJBXMUDUUSFB-XJKSGUPXSA-N 1 2 365.430 2.167 20 5 FEBDLO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H](C)C1 ZINC000248450324 549440144 /nfs/dbraw/zinc/44/01/44/549440144.db2.gz FNNJBXMUDUUSFB-XJKSGUPXSA-N 1 2 365.430 2.167 20 5 FEBDLO COCC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCO[C@@H]1C ZINC000489456478 561411814 /nfs/dbraw/zinc/41/18/14/561411814.db2.gz ORFLWLOQTWMPLJ-IUODEOHRSA-N 1 2 362.386 2.271 20 5 FEBDLO COCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCO[C@@H]1C ZINC000489456478 561411815 /nfs/dbraw/zinc/41/18/15/561411815.db2.gz ORFLWLOQTWMPLJ-IUODEOHRSA-N 1 2 362.386 2.271 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000249079401 549547138 /nfs/dbraw/zinc/54/71/38/549547138.db2.gz MJFWPKOYKGGDJB-MRVWCRGKSA-N 1 2 363.414 2.361 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000249079401 549547142 /nfs/dbraw/zinc/54/71/42/549547142.db2.gz MJFWPKOYKGGDJB-MRVWCRGKSA-N 1 2 363.414 2.361 20 5 FEBDLO COC[C@@H]1C[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC000251504568 549646201 /nfs/dbraw/zinc/64/62/01/549646201.db2.gz BUOCXLBPCFVVGC-ZOWXZIJZSA-N 1 2 362.386 2.442 20 5 FEBDLO COC[C@@H]1C[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC000251504568 549646203 /nfs/dbraw/zinc/64/62/03/549646203.db2.gz BUOCXLBPCFVVGC-ZOWXZIJZSA-N 1 2 362.386 2.442 20 5 FEBDLO C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000264205287 549992707 /nfs/dbraw/zinc/99/27/07/549992707.db2.gz FCGJLSKODURNFQ-OLZOCXBDSA-N 1 2 362.430 2.008 20 5 FEBDLO Cc1nnc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000268459712 550069912 /nfs/dbraw/zinc/06/99/12/550069912.db2.gz KMJOHAATGZQNMC-AAEUAGOBSA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1nnc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000268459712 550069913 /nfs/dbraw/zinc/06/99/13/550069913.db2.gz KMJOHAATGZQNMC-AAEUAGOBSA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000268459712 550069915 /nfs/dbraw/zinc/06/99/15/550069915.db2.gz KMJOHAATGZQNMC-AAEUAGOBSA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000268459712 550069917 /nfs/dbraw/zinc/06/99/17/550069917.db2.gz KMJOHAATGZQNMC-AAEUAGOBSA-N 1 2 358.402 2.228 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000268476864 550073132 /nfs/dbraw/zinc/07/31/32/550073132.db2.gz JQZVLWXTINWWTR-GOSISDBHSA-N 1 2 355.394 2.433 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000268476864 550073135 /nfs/dbraw/zinc/07/31/35/550073135.db2.gz JQZVLWXTINWWTR-GOSISDBHSA-N 1 2 355.394 2.433 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000492294092 561450751 /nfs/dbraw/zinc/45/07/51/561450751.db2.gz MHWJEQQCTFHMPI-SNVBAGLBSA-N 1 2 370.818 2.046 20 5 FEBDLO CC(C)c1[nH]nc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1[N+](=O)[O-] ZINC000269379829 550188216 /nfs/dbraw/zinc/18/82/16/550188216.db2.gz OOIFIWFVISFEFG-UHFFFAOYSA-N 1 2 350.404 2.138 20 5 FEBDLO CC(C)c1[nH]nc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1[N+](=O)[O-] ZINC000269379829 550188219 /nfs/dbraw/zinc/18/82/19/550188219.db2.gz OOIFIWFVISFEFG-UHFFFAOYSA-N 1 2 350.404 2.138 20 5 FEBDLO CC(C)(CNc1ccc([N+](=O)[O-])c2cccnc12)[NH+]1CCS(=O)CC1 ZINC000269557481 550205921 /nfs/dbraw/zinc/20/59/21/550205921.db2.gz HMKPOOJDMLWSJT-UHFFFAOYSA-N 1 2 362.455 2.398 20 5 FEBDLO COc1ccc(OC)c2c1C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]2O ZINC000269656877 550214060 /nfs/dbraw/zinc/21/40/60/550214060.db2.gz OTMLPMNKQGSOGF-HZPDHXFCSA-N 1 2 374.393 2.195 20 5 FEBDLO COc1ccc(OC)c2c1C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]2O ZINC000269656877 550214063 /nfs/dbraw/zinc/21/40/63/550214063.db2.gz OTMLPMNKQGSOGF-HZPDHXFCSA-N 1 2 374.393 2.195 20 5 FEBDLO CC(C)N1C[C@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000272544231 550457093 /nfs/dbraw/zinc/45/70/93/550457093.db2.gz PSEYXYYCMCJZSP-RHSMWYFYSA-N 1 2 357.414 2.017 20 5 FEBDLO CC[C@H](C)[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(=O)OC ZINC000273341210 550494958 /nfs/dbraw/zinc/49/49/58/550494958.db2.gz WOIQPXMQPDEWRM-ZBEGNZNMSA-N 1 2 367.402 2.109 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000494653166 561473498 /nfs/dbraw/zinc/47/34/98/561473498.db2.gz UIUAMZZPGQQPCR-MRXNPFEDSA-N 1 2 368.455 2.260 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000494653166 561473499 /nfs/dbraw/zinc/47/34/99/561473499.db2.gz UIUAMZZPGQQPCR-MRXNPFEDSA-N 1 2 368.455 2.260 20 5 FEBDLO COC(=O)c1cc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)c(C)c([N+](=O)[O-])c1 ZINC000277097724 550631687 /nfs/dbraw/zinc/63/16/87/550631687.db2.gz DRGMSPYPMZNBCG-SNVBAGLBSA-N 1 2 361.358 2.097 20 5 FEBDLO Cc1nc(NC(=O)c2ccccc2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000277590448 550688680 /nfs/dbraw/zinc/68/86/80/550688680.db2.gz HQZQPWYGIPBYRB-UHFFFAOYSA-N 1 2 356.382 2.383 20 5 FEBDLO CC(C)c1nc(N(C)C)nc(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[nH+]1 ZINC000277980777 550735514 /nfs/dbraw/zinc/73/55/14/550735514.db2.gz MCGLEAFONDSNEJ-UHFFFAOYSA-N 1 2 356.390 2.458 20 5 FEBDLO CC(C)c1nc(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)nc(N(C)C)[nH+]1 ZINC000277980777 550735515 /nfs/dbraw/zinc/73/55/15/550735515.db2.gz MCGLEAFONDSNEJ-UHFFFAOYSA-N 1 2 356.390 2.458 20 5 FEBDLO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000278766653 550819927 /nfs/dbraw/zinc/81/99/27/550819927.db2.gz UHCXRBJRCIYZIX-LLVKDONJSA-N 1 2 369.385 2.283 20 5 FEBDLO Cc1nn(C)c(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1[N+](=O)[O-] ZINC000279595077 550906886 /nfs/dbraw/zinc/90/68/86/550906886.db2.gz UWUJYIIGXCEQHP-UHFFFAOYSA-N 1 2 372.429 2.189 20 5 FEBDLO Cc1cc(NC[C@@H](CO)[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000280157998 550966426 /nfs/dbraw/zinc/96/64/26/550966426.db2.gz ALFPHQSNJVPVAA-CABCVRRESA-N 1 2 358.398 2.417 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280229356 550973326 /nfs/dbraw/zinc/97/33/26/550973326.db2.gz AIMFKLOCOGZFBG-GOSISDBHSA-N 1 2 363.414 2.112 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280229356 550973327 /nfs/dbraw/zinc/97/33/27/550973327.db2.gz AIMFKLOCOGZFBG-GOSISDBHSA-N 1 2 363.414 2.112 20 5 FEBDLO O=C(c1ccccc1[N+](=O)[O-])N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280580026 551009665 /nfs/dbraw/zinc/00/96/65/551009665.db2.gz AAPNFMQXYPQFMM-MOPGFXCFSA-N 1 2 367.405 2.320 20 5 FEBDLO O=C(c1ccccc1[N+](=O)[O-])N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280580026 551009667 /nfs/dbraw/zinc/00/96/67/551009667.db2.gz AAPNFMQXYPQFMM-MOPGFXCFSA-N 1 2 367.405 2.320 20 5 FEBDLO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000280920207 551045564 /nfs/dbraw/zinc/04/55/64/551045564.db2.gz JKDGZYLDQBWURC-MGPQQGTHSA-N 1 2 363.414 2.014 20 5 FEBDLO Cn1ccnc1[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000281912576 551156737 /nfs/dbraw/zinc/15/67/37/551156737.db2.gz YIPXLPMJAWIPOK-MQNRADLISA-N 1 2 362.455 2.309 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000282802035 551271945 /nfs/dbraw/zinc/27/19/45/551271945.db2.gz IJKDDOWCSVXYKI-ZDUSSCGKSA-N 1 2 356.382 2.397 20 5 FEBDLO Cc1nn(C)c(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000497970773 561512933 /nfs/dbraw/zinc/51/29/33/561512933.db2.gz HXUOQJLINXLOSD-CYBMUJFWSA-N 1 2 372.360 2.029 20 5 FEBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000284530557 551571009 /nfs/dbraw/zinc/57/10/09/551571009.db2.gz PAPDLDLSZHUIDK-DLBZAZTESA-N 1 2 361.442 2.437 20 5 FEBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000284530557 551571013 /nfs/dbraw/zinc/57/10/13/551571013.db2.gz PAPDLDLSZHUIDK-DLBZAZTESA-N 1 2 361.442 2.437 20 5 FEBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CCn1cncn1)CC2 ZINC000284781213 551631955 /nfs/dbraw/zinc/63/19/55/551631955.db2.gz NIICDBVDPJGBDB-UHFFFAOYSA-N 1 2 352.192 2.007 20 5 FEBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CCn1cncn1)CC2 ZINC000284781213 551631957 /nfs/dbraw/zinc/63/19/57/551631957.db2.gz NIICDBVDPJGBDB-UHFFFAOYSA-N 1 2 352.192 2.007 20 5 FEBDLO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000285794584 551811490 /nfs/dbraw/zinc/81/14/90/551811490.db2.gz PFKIWFBIFWHOOD-HNNXBMFYSA-N 1 2 359.386 2.053 20 5 FEBDLO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000285794584 551811491 /nfs/dbraw/zinc/81/14/91/551811491.db2.gz PFKIWFBIFWHOOD-HNNXBMFYSA-N 1 2 359.386 2.053 20 5 FEBDLO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286370778 551879853 /nfs/dbraw/zinc/87/98/53/551879853.db2.gz JVGMXDDCNMZOIN-ZDUSSCGKSA-N 1 2 362.373 2.107 20 5 FEBDLO CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286370778 551879855 /nfs/dbraw/zinc/87/98/55/551879855.db2.gz JVGMXDDCNMZOIN-ZDUSSCGKSA-N 1 2 362.373 2.107 20 5 FEBDLO CC[N@@H+]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286461796 551888130 /nfs/dbraw/zinc/88/81/30/551888130.db2.gz VBIIEZRTVVGJFN-JTQLQIEISA-N 1 2 363.386 2.122 20 5 FEBDLO CC[N@H+]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286461796 551888131 /nfs/dbraw/zinc/88/81/31/551888131.db2.gz VBIIEZRTVVGJFN-JTQLQIEISA-N 1 2 363.386 2.122 20 5 FEBDLO C[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000286835089 551931433 /nfs/dbraw/zinc/93/14/33/551931433.db2.gz JYCUOHNTLLGGHR-ZQIUZPCESA-N 1 2 362.430 2.160 20 5 FEBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000499256453 561546868 /nfs/dbraw/zinc/54/68/68/561546868.db2.gz OGACNOKPLFCDEF-FZMZJTMJSA-N 1 2 357.370 2.012 20 5 FEBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000499256453 561546869 /nfs/dbraw/zinc/54/68/69/561546869.db2.gz OGACNOKPLFCDEF-FZMZJTMJSA-N 1 2 357.370 2.012 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000287151339 551969665 /nfs/dbraw/zinc/96/96/65/551969665.db2.gz GFZBSJBYPJWNAO-JSGCOSHPSA-N 1 2 358.398 2.011 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000287498509 552011946 /nfs/dbraw/zinc/01/19/46/552011946.db2.gz ULSNAUFEYPSECU-YPMHNXCESA-N 1 2 353.806 2.183 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ncnn3-c3ccccc3)C2)nc1 ZINC000499537560 561553252 /nfs/dbraw/zinc/55/32/52/561553252.db2.gz NZOXWWHYWMDXRE-AWEZNQCLSA-N 1 2 365.397 2.257 20 5 FEBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ncnn3-c3ccccc3)C2)nc1 ZINC000499537560 561553253 /nfs/dbraw/zinc/55/32/53/561553253.db2.gz NZOXWWHYWMDXRE-AWEZNQCLSA-N 1 2 365.397 2.257 20 5 FEBDLO CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)c4ccc(-n5cc[nH+]c5)c([N+](=O)[O-])c4)[C@H]1[C@H]3C2 ZINC000288528472 552169682 /nfs/dbraw/zinc/16/96/82/552169682.db2.gz RRRYYKFVJOICLS-TZUPDSNESA-N 1 2 368.393 2.276 20 5 FEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000290793699 552539358 /nfs/dbraw/zinc/53/93/58/552539358.db2.gz DDFUPNUNAMPBEF-RHSMWYFYSA-N 1 2 361.442 2.194 20 5 FEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000291540128 552635575 /nfs/dbraw/zinc/63/55/75/552635575.db2.gz XJYDWGDEAQLMIG-BXUZGUMPSA-N 1 2 353.806 2.183 20 5 FEBDLO CC(C)(CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000291606041 552642594 /nfs/dbraw/zinc/64/25/94/552642594.db2.gz HHBYIYYEJKFHJZ-UHFFFAOYSA-N 1 2 364.446 2.240 20 5 FEBDLO COC(=O)N1CCN(c2ccc(Nc3cc(C)c([N+](=O)[O-])cn3)c[nH+]2)CC1 ZINC000292885073 552768487 /nfs/dbraw/zinc/76/84/87/552768487.db2.gz VFWPGJJWBDVVRX-UHFFFAOYSA-N 1 2 372.385 2.325 20 5 FEBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000295116721 552960456 /nfs/dbraw/zinc/96/04/56/552960456.db2.gz MNJGDBCZCPFLAB-CYBMUJFWSA-N 1 2 357.382 2.051 20 5 FEBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000295116721 552960457 /nfs/dbraw/zinc/96/04/57/552960457.db2.gz MNJGDBCZCPFLAB-CYBMUJFWSA-N 1 2 357.382 2.051 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1(C)C ZINC000295202375 552969395 /nfs/dbraw/zinc/96/93/95/552969395.db2.gz FKSJMGWVJBVUDU-CYBMUJFWSA-N 1 2 368.390 2.239 20 5 FEBDLO Cc1cc(Cl)c(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000295304396 552984520 /nfs/dbraw/zinc/98/45/20/552984520.db2.gz RIZKZZUJHSWOTP-RYUDHWBXSA-N 1 2 355.822 2.396 20 5 FEBDLO Cc1cc(F)c(NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000296843933 553219176 /nfs/dbraw/zinc/21/91/76/553219176.db2.gz UFGNKDZLFODDJD-NWDGAFQWSA-N 1 2 354.382 2.273 20 5 FEBDLO COC(=O)Cc1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000297411753 553288782 /nfs/dbraw/zinc/28/87/82/553288782.db2.gz GKWOZNVUXJJJIK-AWEZNQCLSA-N 1 2 356.382 2.396 20 5 FEBDLO CCOc1cc(NC(=O)NCCn2cc[nH+]c2)c([N+](=O)[O-])cc1OCC ZINC000298471858 553428986 /nfs/dbraw/zinc/42/89/86/553428986.db2.gz RGTPXWDIRYILDK-UHFFFAOYSA-N 1 2 363.374 2.410 20 5 FEBDLO COc1ccc(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000298883577 553484865 /nfs/dbraw/zinc/48/48/65/553484865.db2.gz URNDAPVXBSEKRA-UHFFFAOYSA-N 1 2 371.397 2.030 20 5 FEBDLO Cc1c(C(=O)NCCNc2cccc[nH+]2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000299658020 553597753 /nfs/dbraw/zinc/59/77/53/553597753.db2.gz UTFPCGSUXAOFSZ-UHFFFAOYSA-N 1 2 359.342 2.357 20 5 FEBDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000301201756 553630621 /nfs/dbraw/zinc/63/06/21/553630621.db2.gz PQIXUODWZPDWIE-CYBMUJFWSA-N 1 2 364.421 2.303 20 5 FEBDLO C[C@H]([C@H](C)Nc1ncc(Br)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000301668399 553670107 /nfs/dbraw/zinc/67/01/07/553670107.db2.gz DFAMPVPHOMASED-VHSXEESVSA-N 1 2 359.224 2.273 20 5 FEBDLO C[C@@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000301901660 553690468 /nfs/dbraw/zinc/69/04/68/553690468.db2.gz VTWSFKHLOCRPLA-TZMCWYRMSA-N 1 2 364.427 2.282 20 5 FEBDLO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505462048 561671462 /nfs/dbraw/zinc/67/14/62/561671462.db2.gz VMCOFKVTIDSTDJ-INIZCTEOSA-N 1 2 358.373 2.319 20 5 FEBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3nc(CC(F)(F)F)no3)CC2)n1 ZINC000331988997 554359077 /nfs/dbraw/zinc/35/90/77/554359077.db2.gz XPLLCIGRRXVTDB-UHFFFAOYSA-N 1 2 360.296 2.116 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)n1 ZINC000332205458 554401036 /nfs/dbraw/zinc/40/10/36/554401036.db2.gz FCXRUZWAVDFAAQ-LLVKDONJSA-N 1 2 360.418 2.050 20 5 FEBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCN(c4ccc(O)cc4)CC3)nc2c1 ZINC000509840249 561815590 /nfs/dbraw/zinc/81/55/90/561815590.db2.gz ROFUCQHRTNCODK-UHFFFAOYSA-N 1 2 353.382 2.499 20 5 FEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332527566 554463317 /nfs/dbraw/zinc/46/33/17/554463317.db2.gz DDINULAEKCDNPY-LSDHHAIUSA-N 1 2 365.455 2.252 20 5 FEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332527566 554463321 /nfs/dbraw/zinc/46/33/21/554463321.db2.gz DDINULAEKCDNPY-LSDHHAIUSA-N 1 2 365.455 2.252 20 5 FEBDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000361277928 554913873 /nfs/dbraw/zinc/91/38/73/554913873.db2.gz HBCIITRFCVIOLN-LBPRGKRZSA-N 1 2 355.398 2.205 20 5 FEBDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000361277928 554913876 /nfs/dbraw/zinc/91/38/76/554913876.db2.gz HBCIITRFCVIOLN-LBPRGKRZSA-N 1 2 355.398 2.205 20 5 FEBDLO Cc1n[nH]c(C2CC[NH+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)n1 ZINC000361304310 554915634 /nfs/dbraw/zinc/91/56/34/554915634.db2.gz OSUYRIKDXOILTE-INIZCTEOSA-N 1 2 370.413 2.006 20 5 FEBDLO Cc1nc(C2CC[NH+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)n[nH]1 ZINC000361304310 554915635 /nfs/dbraw/zinc/91/56/35/554915635.db2.gz OSUYRIKDXOILTE-INIZCTEOSA-N 1 2 370.413 2.006 20 5 FEBDLO Cc1nnc(C2CC[NH+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)[nH]1 ZINC000361304310 554915636 /nfs/dbraw/zinc/91/56/36/554915636.db2.gz OSUYRIKDXOILTE-INIZCTEOSA-N 1 2 370.413 2.006 20 5 FEBDLO CCc1nc(C[NH+]2C[C@H]3CN(c4ccc([N+](=O)[O-])cc4F)C[C@@H]3C2)no1 ZINC000361770910 554933634 /nfs/dbraw/zinc/93/36/34/554933634.db2.gz YNSULIGFADTCGH-RYUDHWBXSA-N 1 2 361.377 2.248 20 5 FEBDLO COC(=O)[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1(C)C ZINC000363352164 555083995 /nfs/dbraw/zinc/08/39/95/555083995.db2.gz MCRDGGXMOKIEAI-ZDUSSCGKSA-N 1 2 372.381 2.052 20 5 FEBDLO CC(C)c1nc(N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)nc(N(C)C)[nH+]1 ZINC000363732115 555174161 /nfs/dbraw/zinc/17/41/61/555174161.db2.gz FCAVJRFDDIZPAV-LBPRGKRZSA-N 1 2 360.422 2.007 20 5 FEBDLO CC(C)c1nc(N(C)C)nc(N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)[nH+]1 ZINC000363732115 555174164 /nfs/dbraw/zinc/17/41/64/555174164.db2.gz FCAVJRFDDIZPAV-LBPRGKRZSA-N 1 2 360.422 2.007 20 5 FEBDLO Cn1c[nH+]c2c1CCN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000364210116 555270714 /nfs/dbraw/zinc/27/07/14/555270714.db2.gz YIDHGIOYOLJNFM-UHFFFAOYSA-N 1 2 365.187 2.289 20 5 FEBDLO CCOc1cccc(N2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000364902462 555432093 /nfs/dbraw/zinc/43/20/93/555432093.db2.gz CTXGUGXIRCEYEO-INIZCTEOSA-N 1 2 362.474 2.457 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512844858 561917664 /nfs/dbraw/zinc/91/76/64/561917664.db2.gz PPZLMQRITXNEGJ-WDEREUQCSA-N 1 2 373.356 2.492 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512844858 561917666 /nfs/dbraw/zinc/91/76/66/561917666.db2.gz PPZLMQRITXNEGJ-WDEREUQCSA-N 1 2 373.356 2.492 20 5 FEBDLO Cc1cn2cc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000513563922 561943004 /nfs/dbraw/zinc/94/30/04/561943004.db2.gz WZYZXYHHZFGJFB-UHFFFAOYSA-N 1 2 374.378 2.207 20 5 FEBDLO C[C@@H](CN1CCCC1=O)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000513684256 561946574 /nfs/dbraw/zinc/94/65/74/561946574.db2.gz PXZZGAVHEXDSBP-SUMWQHHRSA-N 1 2 357.414 2.018 20 5 FEBDLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000366248026 555792194 /nfs/dbraw/zinc/79/21/94/555792194.db2.gz GVPTYHIHFLOLPM-KDOFPFPSSA-N 1 2 366.414 2.382 20 5 FEBDLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000366248026 555792195 /nfs/dbraw/zinc/79/21/95/555792195.db2.gz GVPTYHIHFLOLPM-KDOFPFPSSA-N 1 2 366.414 2.382 20 5 FEBDLO O=C(N[C@H](CO)CC1CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000513934063 561955393 /nfs/dbraw/zinc/95/53/93/561955393.db2.gz PWYXCBYSACTPOY-HNNXBMFYSA-N 1 2 358.398 2.452 20 5 FEBDLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000366790838 555935114 /nfs/dbraw/zinc/93/51/14/555935114.db2.gz BPJJDYHQWOANQS-ZDUSSCGKSA-N 1 2 355.398 2.087 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@](F)(c3cccc(Cl)c3)C2)c1 ZINC000366981817 555988571 /nfs/dbraw/zinc/98/85/71/555988571.db2.gz LFKYUGOLHYQRAL-JKSUJKDBSA-N 1 2 368.796 2.376 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@](F)(c3cccc(Cl)c3)C2)c1 ZINC000366981817 555988575 /nfs/dbraw/zinc/98/85/75/555988575.db2.gz LFKYUGOLHYQRAL-JKSUJKDBSA-N 1 2 368.796 2.376 20 5 FEBDLO Cc1cc(N[C@@H]2CCC(=O)N[C@H]2C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000367419623 556044056 /nfs/dbraw/zinc/04/40/56/556044056.db2.gz NOUYATBILOZNKU-QAPCUYQASA-N 1 2 367.409 2.251 20 5 FEBDLO COc1cc(C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000367529575 556075161 /nfs/dbraw/zinc/07/51/61/556075161.db2.gz QYQJZUMUJQSMIV-VNQPRFMTSA-N 1 2 366.414 2.380 20 5 FEBDLO COc1cc(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000367529575 556075163 /nfs/dbraw/zinc/07/51/63/556075163.db2.gz QYQJZUMUJQSMIV-VNQPRFMTSA-N 1 2 366.414 2.380 20 5 FEBDLO O=C(NC1CC[NH+](Cc2cscn2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000368413249 556300897 /nfs/dbraw/zinc/30/08/97/556300897.db2.gz RQNVNOIPALSXEZ-UHFFFAOYSA-N 1 2 362.411 2.151 20 5 FEBDLO O=C(Nc1ncccc1C[NH+]1CCc2ccccc2CC1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000368556452 556344975 /nfs/dbraw/zinc/34/49/75/556344975.db2.gz XCZWQWCYNURRCT-ROUUACIJSA-N 1 2 366.421 2.286 20 5 FEBDLO O=C(C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O)Nc1ccccc1[N+](=O)[O-] ZINC000369179982 556527323 /nfs/dbraw/zinc/52/73/23/556527323.db2.gz HJQILGAHQFRVFI-CQSZACIVSA-N 1 2 360.414 2.010 20 5 FEBDLO O=C(C[N@H+]1CCCC[C@@H]1CN1CCCC1=O)Nc1ccccc1[N+](=O)[O-] ZINC000369179982 556527324 /nfs/dbraw/zinc/52/73/24/556527324.db2.gz HJQILGAHQFRVFI-CQSZACIVSA-N 1 2 360.414 2.010 20 5 FEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(Oc2cnccn2)CC1 ZINC000369681512 556666762 /nfs/dbraw/zinc/66/67/62/556666762.db2.gz MROJNFPXXSLAAA-ZDUSSCGKSA-N 1 2 371.397 2.255 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CN2CCCC2=O)CC1 ZINC000369812045 556701637 /nfs/dbraw/zinc/70/16/37/556701637.db2.gz YZKRGSFUXIJJEW-CQSZACIVSA-N 1 2 374.441 2.256 20 5 FEBDLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc([N+](=O)[O-])cc(F)c1F ZINC000370549712 556905979 /nfs/dbraw/zinc/90/59/79/556905979.db2.gz PYQBPQSJRSDNHO-CABCVRRESA-N 1 2 369.368 2.246 20 5 FEBDLO COc1cc(CCNc2cccc(-n3cc[nH+]c3)n2)c([N+](=O)[O-])cc1OC ZINC000370750443 556957246 /nfs/dbraw/zinc/95/72/46/556957246.db2.gz QWQKPCZUSSFVTQ-UHFFFAOYSA-N 1 2 369.381 2.847 20 5 FEBDLO Cc1cc(N2CCc3nnc(N)cc3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000371076171 557067898 /nfs/dbraw/zinc/06/78/98/557067898.db2.gz RDRGUBMEXGDZEH-UHFFFAOYSA-N 1 2 363.381 2.295 20 5 FEBDLO Cc1ccn2cc(CNC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3C)[nH+]c2c1 ZINC000518209875 562106445 /nfs/dbraw/zinc/10/64/45/562106445.db2.gz FQLQVJVWZLPPBB-UHFFFAOYSA-N 1 2 367.365 2.114 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c2ncccc12 ZINC000372057230 557368766 /nfs/dbraw/zinc/36/87/66/557368766.db2.gz CZDDQIUXFOOEKN-CYBMUJFWSA-N 1 2 373.394 2.392 20 5 FEBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CCC2 ZINC000372252928 557421964 /nfs/dbraw/zinc/42/19/64/557421964.db2.gz ZGUFFGLYNULUDR-LLVKDONJSA-N 1 2 359.342 2.315 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000373770100 557755349 /nfs/dbraw/zinc/75/53/49/557755349.db2.gz JBLQITWFQBNWTB-CYBMUJFWSA-N 1 2 373.373 2.258 20 5 FEBDLO Cc1nccnc1N1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000374146905 557831709 /nfs/dbraw/zinc/83/17/09/557831709.db2.gz GYTWBYAHXIVWHS-UHFFFAOYSA-N 1 2 354.370 2.157 20 5 FEBDLO COc1ccccc1[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000374322302 557865472 /nfs/dbraw/zinc/86/54/72/557865472.db2.gz WHEAMEVAIGLGQB-KRWDZBQOSA-N 1 2 371.393 2.155 20 5 FEBDLO COc1ccccc1[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000374353885 557870415 /nfs/dbraw/zinc/87/04/15/557870415.db2.gz WKLSDTWVQCKJAH-QGZVFWFLSA-N 1 2 355.394 2.319 20 5 FEBDLO COc1cc(OC)cc([C@@]2(F)CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000374617246 557907489 /nfs/dbraw/zinc/90/74/89/557907489.db2.gz BAHWXNWQLASZEV-QGZVFWFLSA-N 1 2 364.377 2.379 20 5 FEBDLO COc1cc(OC)cc([C@@]2(F)CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000374617246 557907491 /nfs/dbraw/zinc/90/74/91/557907491.db2.gz BAHWXNWQLASZEV-QGZVFWFLSA-N 1 2 364.377 2.379 20 5 FEBDLO O=C([C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1)N1CCSCC1 ZINC000374784798 557931187 /nfs/dbraw/zinc/93/11/87/557931187.db2.gz YWDRUPAJRYLPLJ-OAHLLOKOSA-N 1 2 353.419 2.274 20 5 FEBDLO O=C([C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1)N1CCSCC1 ZINC000374784798 557931189 /nfs/dbraw/zinc/93/11/89/557931189.db2.gz YWDRUPAJRYLPLJ-OAHLLOKOSA-N 1 2 353.419 2.274 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@](F)(c3cc(F)cc(F)c3)C2)c1 ZINC000375284362 558004341 /nfs/dbraw/zinc/00/43/41/558004341.db2.gz NYTASQWMVIHXAU-HZPDHXFCSA-N 1 2 370.331 2.001 20 5 FEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@](F)(c3cc(F)cc(F)c3)C2)c1 ZINC000375284362 558004343 /nfs/dbraw/zinc/00/43/43/558004343.db2.gz NYTASQWMVIHXAU-HZPDHXFCSA-N 1 2 370.331 2.001 20 5 FEBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c([N+](=O)[O-])c1 ZINC000375316095 558007892 /nfs/dbraw/zinc/00/78/92/558007892.db2.gz VUFTVTAZBDMDGL-OAHLLOKOSA-N 1 2 363.414 2.433 20 5 FEBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](OCC3CC3)C2)c([N+](=O)[O-])c1 ZINC000375316095 558007894 /nfs/dbraw/zinc/00/78/94/558007894.db2.gz VUFTVTAZBDMDGL-OAHLLOKOSA-N 1 2 363.414 2.433 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000375928250 558100970 /nfs/dbraw/zinc/10/09/70/558100970.db2.gz RJEOMJFSXIIPHA-LBPRGKRZSA-N 1 2 362.361 2.252 20 5 FEBDLO CCN1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000376465582 558176777 /nfs/dbraw/zinc/17/67/77/558176777.db2.gz YWPPQIYUNVMKCV-NSHDSACASA-N 1 2 359.415 2.206 20 5 FEBDLO COC(=O)C[C@@H]1COCCN1c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000377180790 558283117 /nfs/dbraw/zinc/28/31/17/558283117.db2.gz XSLSBUSYBUHCGF-OAHLLOKOSA-N 1 2 372.381 2.129 20 5 FEBDLO Cc1n[nH]c(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)c1[N+](=O)[O-] ZINC000522222972 562194543 /nfs/dbraw/zinc/19/45/43/562194543.db2.gz HVVYLUJDYFUZFL-GFCCVEGCSA-N 1 2 358.333 2.018 20 5 FEBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377330602 558317249 /nfs/dbraw/zinc/31/72/49/558317249.db2.gz NIBJFMYSZKENDD-CQSZACIVSA-N 1 2 357.414 2.497 20 5 FEBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377330602 558317251 /nfs/dbraw/zinc/31/72/51/558317251.db2.gz NIBJFMYSZKENDD-CQSZACIVSA-N 1 2 357.414 2.497 20 5 FEBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000522057643 562190479 /nfs/dbraw/zinc/19/04/79/562190479.db2.gz AAIDFOQMBUBPMA-QGZVFWFLSA-N 1 2 372.381 2.232 20 5 FEBDLO O=C(Nc1c[nH+]ccc1-n1ccnn1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000377482112 558348275 /nfs/dbraw/zinc/34/82/75/558348275.db2.gz QGWDNPBUNPTLJS-UHFFFAOYSA-N 1 2 360.280 2.301 20 5 FEBDLO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408182435 558654867 /nfs/dbraw/zinc/65/48/67/558654867.db2.gz KQMXWQDLLAVRAB-AAEUAGOBSA-N 1 2 373.862 2.496 20 5 FEBDLO C[C@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408182435 558654870 /nfs/dbraw/zinc/65/48/70/558654870.db2.gz KQMXWQDLLAVRAB-AAEUAGOBSA-N 1 2 373.862 2.496 20 5 FEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000408334656 558667458 /nfs/dbraw/zinc/66/74/58/558667458.db2.gz BRHGNJIDGMPGGI-ZIAGYGMSSA-N 1 2 355.460 2.315 20 5 FEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000408334656 558667459 /nfs/dbraw/zinc/66/74/59/558667459.db2.gz BRHGNJIDGMPGGI-ZIAGYGMSSA-N 1 2 355.460 2.315 20 5 FEBDLO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2csnn2)c([N+](=O)[O-])c1 ZINC000412035993 559004763 /nfs/dbraw/zinc/00/47/63/559004763.db2.gz ICSVOAMDXHXTCG-SECBINFHSA-N 1 2 351.388 2.134 20 5 FEBDLO CC(C)Oc1cc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000412296599 559025845 /nfs/dbraw/zinc/02/58/45/559025845.db2.gz BUPHCUVADVVXNN-CQSZACIVSA-N 1 2 365.430 2.175 20 5 FEBDLO COc1ccc(CNc2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)cc1[N+](=O)[O-] ZINC000413061430 559074057 /nfs/dbraw/zinc/07/40/57/559074057.db2.gz BOYBNKZMNJXMPU-JSGCOSHPSA-N 1 2 373.413 2.213 20 5 FEBDLO COc1ccc(CNc2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)cc1[N+](=O)[O-] ZINC000413061430 559074059 /nfs/dbraw/zinc/07/40/59/559074059.db2.gz BOYBNKZMNJXMPU-JSGCOSHPSA-N 1 2 373.413 2.213 20 5 FEBDLO NC(=O)NC(=O)C1CCC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413188437 559086959 /nfs/dbraw/zinc/08/69/59/559086959.db2.gz HFUYSMRBIUDEGA-UHFFFAOYSA-N 1 2 357.370 2.309 20 5 FEBDLO C[C@H](O)[C@H]1CCN(c2cc(N(C)CCc3cccc([N+](=O)[O-])c3)[nH+]cn2)C1 ZINC000413282151 559095154 /nfs/dbraw/zinc/09/51/54/559095154.db2.gz LNGHJUNTYRGMLR-HOCLYGCPSA-N 1 2 371.441 2.271 20 5 FEBDLO C[C@H](O)[C@H]1CCN(c2cc(N(C)CCc3cccc([N+](=O)[O-])c3)nc[nH+]2)C1 ZINC000413282151 559095156 /nfs/dbraw/zinc/09/51/56/559095156.db2.gz LNGHJUNTYRGMLR-HOCLYGCPSA-N 1 2 371.441 2.271 20 5 FEBDLO COC(=O)[C@@H]([NH2+]CCCNc1nccc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000413321658 559098572 /nfs/dbraw/zinc/09/85/72/559098572.db2.gz GPPIVQKUPGTNQQ-INIZCTEOSA-N 1 2 360.414 2.732 20 5 FEBDLO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000414475995 559167485 /nfs/dbraw/zinc/16/74/85/559167485.db2.gz ZANNIHPBINDABU-SNVBAGLBSA-N 1 2 372.834 2.368 20 5 FEBDLO CCOc1cc(N2CC[NH+](Cc3cc(C)nn3C)CC2)ccc1[N+](=O)[O-] ZINC000418037433 559387539 /nfs/dbraw/zinc/38/75/39/559387539.db2.gz XKNPKDGAILEQFN-UHFFFAOYSA-N 1 2 359.430 2.358 20 5 FEBDLO C[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])c2cc(F)ccc2C[NH2+]1 ZINC000420457544 559488538 /nfs/dbraw/zinc/48/85/38/559488538.db2.gz ISMURJAEHQMAQN-LLVKDONJSA-N 1 2 365.386 2.421 20 5 FEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC[C@@H](CCO)CC1 ZINC000420643884 559494864 /nfs/dbraw/zinc/49/48/64/559494864.db2.gz RKRCCUFVGSMERB-MRXNPFEDSA-N 1 2 363.458 2.416 20 5 FEBDLO Cc1cc(CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cc(C)[nH+]1 ZINC000421574731 559545542 /nfs/dbraw/zinc/54/55/42/559545542.db2.gz HGJTWGWSVLOEJX-CQSZACIVSA-N 1 2 372.381 2.121 20 5 FEBDLO CC[C@@H](NC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000426020390 559727724 /nfs/dbraw/zinc/72/77/24/559727724.db2.gz LAHKIYTYNSSIKN-DLBZAZTESA-N 1 2 364.446 2.456 20 5 FEBDLO CC[C@@H](NC(=O)NCC[N@H+]1CCO[C@@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000426020390 559727725 /nfs/dbraw/zinc/72/77/25/559727725.db2.gz LAHKIYTYNSSIKN-DLBZAZTESA-N 1 2 364.446 2.456 20 5 FEBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428356815 559773717 /nfs/dbraw/zinc/77/37/17/559773717.db2.gz AYUSKRANPXONLM-HNNXBMFYSA-N 1 2 372.428 2.482 20 5 FEBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000428361891 559773935 /nfs/dbraw/zinc/77/39/35/559773935.db2.gz NAFIFGQPMQJDAI-AWEZNQCLSA-N 1 2 355.398 2.136 20 5 FEBDLO COCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1cccnc1 ZINC000429321520 559796015 /nfs/dbraw/zinc/79/60/15/559796015.db2.gz YVWXVJNTTITWPI-UHFFFAOYSA-N 1 2 358.398 2.385 20 5 FEBDLO COCC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1cccnc1 ZINC000429321520 559796016 /nfs/dbraw/zinc/79/60/16/559796016.db2.gz YVWXVJNTTITWPI-UHFFFAOYSA-N 1 2 358.398 2.385 20 5 FEBDLO CCN1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433471005 559882442 /nfs/dbraw/zinc/88/24/42/559882442.db2.gz PICYXOOCZPQORI-MRXNPFEDSA-N 1 2 368.397 2.318 20 5 FEBDLO Cc1sc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000434776075 559909099 /nfs/dbraw/zinc/90/90/99/559909099.db2.gz MEKHUTUJVRYICF-GFCCVEGCSA-N 1 2 359.473 2.260 20 5 FEBDLO Cc1sc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000434776075 559909100 /nfs/dbraw/zinc/90/91/00/559909100.db2.gz MEKHUTUJVRYICF-GFCCVEGCSA-N 1 2 359.473 2.260 20 5 FEBDLO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc([N+](=O)[O-])cc1O ZINC000436863125 559954772 /nfs/dbraw/zinc/95/47/72/559954772.db2.gz SANCVNSFWAPYEQ-UHFFFAOYSA-N 1 2 363.414 2.065 20 5 FEBDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000438143427 559974764 /nfs/dbraw/zinc/97/47/64/559974764.db2.gz UYAZXBOBONHNBO-CQSZACIVSA-N 1 2 355.398 2.437 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000446064284 560138962 /nfs/dbraw/zinc/13/89/62/560138962.db2.gz XYXWHBRTVZIELA-ABAIWWIYSA-N 1 2 351.403 2.023 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000446064284 560138963 /nfs/dbraw/zinc/13/89/63/560138963.db2.gz XYXWHBRTVZIELA-ABAIWWIYSA-N 1 2 351.403 2.023 20 5 FEBDLO COC(=O)[C@H]1CC[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447808221 560169552 /nfs/dbraw/zinc/16/95/52/560169552.db2.gz VWHMPCAAUZFSIW-LSDHHAIUSA-N 1 2 363.414 2.181 20 5 FEBDLO CCc1nn(C)cc1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447811264 560169701 /nfs/dbraw/zinc/16/97/01/560169701.db2.gz NFSKRPLQBQBAPD-UHFFFAOYSA-N 1 2 359.430 2.335 20 5 FEBDLO CC(C)c1nnc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])n1C ZINC000447817757 560170071 /nfs/dbraw/zinc/17/00/71/560170071.db2.gz PPCWHEHJLMINLR-UHFFFAOYSA-N 1 2 374.445 2.291 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000448837174 560201742 /nfs/dbraw/zinc/20/17/42/560201742.db2.gz SBZUWKOTGHVSMA-UHFFFAOYSA-N 1 2 366.381 2.454 20 5 FEBDLO CCOC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H](C)CC ZINC000449989329 560247474 /nfs/dbraw/zinc/24/74/74/560247474.db2.gz HQCYFVKDSKXHMN-LRDDRELGSA-N 1 2 374.397 2.488 20 5 FEBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000450358811 560259757 /nfs/dbraw/zinc/25/97/57/560259757.db2.gz TVJVASLRRUBOTL-CYBMUJFWSA-N 1 2 358.398 2.063 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC(CCCO)CC1 ZINC000450532136 560265402 /nfs/dbraw/zinc/26/54/02/560265402.db2.gz NHPUZKHCGDLAHU-UHFFFAOYSA-N 1 2 358.398 2.405 20 5 FEBDLO COc1cccnc1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000450922929 560278702 /nfs/dbraw/zinc/27/87/02/560278702.db2.gz BDSVCKZTUGLESG-UHFFFAOYSA-N 1 2 358.398 2.443 20 5 FEBDLO CCO[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000451548306 560313779 /nfs/dbraw/zinc/31/37/79/560313779.db2.gz VCYLTWQPARKFHN-BBRMVZONSA-N 1 2 356.444 2.115 20 5 FEBDLO CCO[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000451548306 560313780 /nfs/dbraw/zinc/31/37/80/560313780.db2.gz VCYLTWQPARKFHN-BBRMVZONSA-N 1 2 356.444 2.115 20 5 FEBDLO O=C(CCC(=O)N1CC[NH2+][C@H](c2ccncc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000451666425 560320782 /nfs/dbraw/zinc/32/07/82/560320782.db2.gz RYLFQWUONBQYEF-KRWDZBQOSA-N 1 2 368.393 2.126 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000451802390 560329413 /nfs/dbraw/zinc/32/94/13/560329413.db2.gz LPZBGOGEZUPCSK-ZDUSSCGKSA-N 1 2 357.357 2.339 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000451802390 560329414 /nfs/dbraw/zinc/32/94/14/560329414.db2.gz LPZBGOGEZUPCSK-ZDUSSCGKSA-N 1 2 357.357 2.339 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451903238 560335875 /nfs/dbraw/zinc/33/58/75/560335875.db2.gz IXWCRBFJFDSIIX-BREBYQMCSA-N 1 2 361.320 2.167 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451903238 560335876 /nfs/dbraw/zinc/33/58/76/560335876.db2.gz IXWCRBFJFDSIIX-BREBYQMCSA-N 1 2 361.320 2.167 20 5 FEBDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000451930589 560338288 /nfs/dbraw/zinc/33/82/88/560338288.db2.gz JREBAPLUYDOGMP-LBPRGKRZSA-N 1 2 361.851 2.353 20 5 FEBDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000451930589 560338289 /nfs/dbraw/zinc/33/82/89/560338289.db2.gz JREBAPLUYDOGMP-LBPRGKRZSA-N 1 2 361.851 2.353 20 5 FEBDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1 ZINC000451967444 560341254 /nfs/dbraw/zinc/34/12/54/560341254.db2.gz HBYSOJISWFLXOI-CQSZACIVSA-N 1 2 355.460 2.316 20 5 FEBDLO CCC[C@H](C)C(=O)NCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452135212 560353509 /nfs/dbraw/zinc/35/35/09/560353509.db2.gz POFROJWRLUDRNM-ZDUSSCGKSA-N 1 2 373.413 2.063 20 5 FEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000453576797 560389323 /nfs/dbraw/zinc/38/93/23/560389323.db2.gz NNGXWUPSYWUYGH-UHFFFAOYSA-N 1 2 354.370 2.295 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000453974852 560418375 /nfs/dbraw/zinc/41/83/75/560418375.db2.gz NHTKUXHXPBBNMT-NSHDSACASA-N 1 2 359.386 2.190 20 5 FEBDLO CNc1nc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000454323069 560439879 /nfs/dbraw/zinc/43/98/79/560439879.db2.gz KDZXXCOVLKWQLN-UHFFFAOYSA-N 1 2 371.397 2.116 20 5 FEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000455460551 560483160 /nfs/dbraw/zinc/48/31/60/560483160.db2.gz UTVBSQVUMHDLDL-CQSZACIVSA-N 1 2 372.429 2.404 20 5 FEBDLO CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000458891183 560654227 /nfs/dbraw/zinc/65/42/27/560654227.db2.gz QRIWZBNPBZEYGV-XJKSGUPXSA-N 1 2 350.419 2.066 20 5 FEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000458891183 560654229 /nfs/dbraw/zinc/65/42/29/560654229.db2.gz QRIWZBNPBZEYGV-XJKSGUPXSA-N 1 2 350.419 2.066 20 5 FEBDLO CCc1nnc(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)o1 ZINC000460345570 560742146 /nfs/dbraw/zinc/74/21/46/560742146.db2.gz CFXHCCCSGAEUSO-UHFFFAOYSA-N 1 2 371.401 2.129 20 5 FEBDLO CCc1nnc(C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)o1 ZINC000460345570 560742147 /nfs/dbraw/zinc/74/21/47/560742147.db2.gz CFXHCCCSGAEUSO-UHFFFAOYSA-N 1 2 371.401 2.129 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CCc1noc(CCn2cc([N+](=O)[O-])cn2)n1 ZINC000460813874 560752474 /nfs/dbraw/zinc/75/24/74/560752474.db2.gz IGWFJTNLFZXGRG-UHFFFAOYSA-N 1 2 367.369 2.318 20 5 FEBDLO Cc1cc(N[C@@H](CCO)C2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000460962700 560757396 /nfs/dbraw/zinc/75/73/96/560757396.db2.gz LSOYSMWVNAVRPZ-KRWDZBQOSA-N 1 2 372.425 2.372 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000463444696 560815084 /nfs/dbraw/zinc/81/50/84/560815084.db2.gz AQZYDDQSACYPCI-FQEVSTJZSA-N 1 2 369.421 2.478 20 5 FEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000463444696 560815085 /nfs/dbraw/zinc/81/50/85/560815085.db2.gz AQZYDDQSACYPCI-FQEVSTJZSA-N 1 2 369.421 2.478 20 5 FEBDLO Cc1cc(NCCCO[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000465056118 560857575 /nfs/dbraw/zinc/85/75/75/560857575.db2.gz QAHIVNJUOOPHLQ-MRXNPFEDSA-N 1 2 358.398 2.390 20 5 FEBDLO COc1cccc([C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000468840006 560940152 /nfs/dbraw/zinc/94/01/52/560940152.db2.gz GZZIDFXTRIANLJ-QGZVFWFLSA-N 1 2 359.382 2.342 20 5 FEBDLO CCN1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000471060667 560997289 /nfs/dbraw/zinc/99/72/89/560997289.db2.gz BVPXLYRYCNGCFP-BBRMVZONSA-N 1 2 372.429 2.024 20 5 FEBDLO Cn1cc(C[NH+]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)cn1 ZINC000473522559 561051882 /nfs/dbraw/zinc/05/18/82/561051882.db2.gz LEZPDNSOXVDNKC-UHFFFAOYSA-N 1 2 352.398 2.199 20 5 FEBDLO Cn1cc[nH+]c1CN1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473531593 561052112 /nfs/dbraw/zinc/05/21/12/561052112.db2.gz ZQADRJNTDVCCOY-UHFFFAOYSA-N 1 2 352.398 2.199 20 5 FEBDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475581007 561100252 /nfs/dbraw/zinc/10/02/52/561100252.db2.gz MWXSVJCVTGOXGC-OCCSQVGLSA-N 1 2 352.387 2.146 20 5 FEBDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475581007 561100253 /nfs/dbraw/zinc/10/02/53/561100253.db2.gz MWXSVJCVTGOXGC-OCCSQVGLSA-N 1 2 352.387 2.146 20 5 FEBDLO Cc1cc(N2CCc3n[nH]c(=O)cc3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000475733132 561103749 /nfs/dbraw/zinc/10/37/49/561103749.db2.gz JZHJSUAVVGYDJL-UHFFFAOYSA-N 1 2 364.365 2.419 20 5 FEBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000476677406 561125772 /nfs/dbraw/zinc/12/57/72/561125772.db2.gz YWPSZEQBGWICRB-UHFFFAOYSA-N 1 2 358.402 2.114 20 5 FEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000532397752 562476564 /nfs/dbraw/zinc/47/65/64/562476564.db2.gz KNFXGNGTZLVPRQ-HNNXBMFYSA-N 1 2 355.329 2.382 20 5 FEBDLO CN(Cc1[nH+]ccn1C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000532883207 562491716 /nfs/dbraw/zinc/49/17/16/562491716.db2.gz CSJNREQAWSWYSM-UHFFFAOYSA-N 1 2 353.176 2.363 20 5 FEBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc3c1OCCO3)CCC2 ZINC000533100686 562498481 /nfs/dbraw/zinc/49/84/81/562498481.db2.gz IUWJECZUWQNMKZ-LBPRGKRZSA-N 1 2 372.381 2.178 20 5 FEBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000535021115 562548203 /nfs/dbraw/zinc/54/82/03/562548203.db2.gz HVTWSUFIYPYXLK-GDBMZVCRSA-N 1 2 364.352 2.387 20 5 FEBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000535021115 562548204 /nfs/dbraw/zinc/54/82/04/562548204.db2.gz HVTWSUFIYPYXLK-GDBMZVCRSA-N 1 2 364.352 2.387 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C3CC4CCC(C3)[NH+]4C)CC2)c1 ZINC000535229993 562553533 /nfs/dbraw/zinc/55/35/33/562553533.db2.gz IIJRPRZYXYFSQS-SJPCQFCGSA-N 1 2 372.469 2.286 20 5 FEBDLO COc1cc(CCNc2nc(N)c3ccccc3[nH+]2)c([N+](=O)[O-])cc1OC ZINC000535720201 562565336 /nfs/dbraw/zinc/56/53/36/562565336.db2.gz XEHAUURWMRCLSO-UHFFFAOYSA-N 1 2 369.381 2.214 20 5 FEBDLO O=[N+]([O-])c1ccc([C@@H]2CCCN(S(=O)(=O)CCn3cc[nH+]c3)C2)cc1 ZINC000603363176 568091158 /nfs/dbraw/zinc/09/11/58/568091158.db2.gz XLNVVXAVOXHWQR-OAHLLOKOSA-N 1 2 364.427 2.001 20 5 FEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000569012634 568266511 /nfs/dbraw/zinc/26/65/11/568266511.db2.gz DVRHZNMZAZOVIY-HNNXBMFYSA-N 1 2 350.325 2.417 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000570233880 568464024 /nfs/dbraw/zinc/46/40/24/568464024.db2.gz PWHJULYMXYWJQJ-OLZOCXBDSA-N 1 2 358.398 2.011 20 5 FEBDLO O=C(NCc1nccnc1Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000808065226 674439636 /nfs/dbraw/zinc/43/96/36/674439636.db2.gz KWHUXNJCCABKJS-UHFFFAOYSA-N 1 2 358.745 2.154 20 5 FEBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815028488 674901754 /nfs/dbraw/zinc/90/17/54/674901754.db2.gz CRSKSCGXIABHMJ-DTWKUNHWSA-N 1 2 365.814 2.100 20 5 FEBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815028488 674901755 /nfs/dbraw/zinc/90/17/55/674901755.db2.gz CRSKSCGXIABHMJ-DTWKUNHWSA-N 1 2 365.814 2.100 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3F)C[C@@H]2C1 ZINC001048814515 675015453 /nfs/dbraw/zinc/01/54/53/675015453.db2.gz OSEKJUOMPAVVFQ-FAXLKDOZSA-N 1 2 367.808 2.035 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3F)C[C@@H]2C1 ZINC001048814515 675015456 /nfs/dbraw/zinc/01/54/56/675015456.db2.gz OSEKJUOMPAVVFQ-FAXLKDOZSA-N 1 2 367.808 2.035 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000609134708 675911466 /nfs/dbraw/zinc/91/14/66/675911466.db2.gz JKZMWCJHGJLAFT-GFCCVEGCSA-N 1 2 370.818 2.471 20 5 FEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000608908899 675906834 /nfs/dbraw/zinc/90/68/34/675906834.db2.gz ABGPMBQGXDHIIS-UHFFFAOYSA-N 1 2 359.367 2.285 20 5 FEBDLO COC(C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)OC ZINC000136734749 672139752 /nfs/dbraw/zinc/13/97/52/672139752.db2.gz KLPDISXBVRYGJU-UHFFFAOYSA-N 1 2 363.336 2.355 20 5 FEBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1C ZINC000610800535 675997690 /nfs/dbraw/zinc/99/76/90/675997690.db2.gz XZNKOBOWEKDVTC-CQSZACIVSA-N 1 2 364.427 2.434 20 5 FEBDLO C[C@@H]1CN=C(N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)S1 ZINC000177212980 672380939 /nfs/dbraw/zinc/38/09/39/672380939.db2.gz MHHLIKSEUCBJIL-CYBMUJFWSA-N 1 2 350.444 2.083 20 5 FEBDLO C[C@H]1CN=C(N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)S1 ZINC000177212999 672381011 /nfs/dbraw/zinc/38/10/11/672381011.db2.gz MHHLIKSEUCBJIL-ZDUSSCGKSA-N 1 2 350.444 2.083 20 5 FEBDLO Cc1cc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(C)cc1[N+](=O)[O-] ZINC000591324587 672669761 /nfs/dbraw/zinc/66/97/61/672669761.db2.gz PXEXNLNTIJVRBY-CQSZACIVSA-N 1 2 364.427 2.434 20 5 FEBDLO CCc1ccc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000592030476 672737252 /nfs/dbraw/zinc/73/72/52/672737252.db2.gz VEVKWMWZQUWMGN-UHFFFAOYSA-N 1 2 353.444 2.016 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000612625495 676091028 /nfs/dbraw/zinc/09/10/28/676091028.db2.gz GFSNNEHNRDIQFX-AWEZNQCLSA-N 1 2 364.427 2.434 20 5 FEBDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000595915102 673338877 /nfs/dbraw/zinc/33/88/77/673338877.db2.gz IPCUJIZISJDVNW-HSMVNMDESA-N 1 2 360.357 2.079 20 5 FEBDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000595915102 673338879 /nfs/dbraw/zinc/33/88/79/673338879.db2.gz IPCUJIZISJDVNW-HSMVNMDESA-N 1 2 360.357 2.079 20 5 FEBDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC000595921312 673340042 /nfs/dbraw/zinc/34/00/42/673340042.db2.gz XGQISLCOIUKQAS-AXAPSJFSSA-N 1 2 360.357 2.079 20 5 FEBDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC000595921312 673340045 /nfs/dbraw/zinc/34/00/45/673340045.db2.gz XGQISLCOIUKQAS-AXAPSJFSSA-N 1 2 360.357 2.079 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000598604047 673588719 /nfs/dbraw/zinc/58/87/19/673588719.db2.gz ONDUYXRXJBKQND-UHFFFAOYSA-N 1 2 353.444 2.070 20 5 FEBDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CC1 ZINC000598621397 673591589 /nfs/dbraw/zinc/59/15/89/673591589.db2.gz VNEFMGAFNSFEPJ-CYBMUJFWSA-N 1 2 355.460 2.316 20 5 FEBDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000741148025 673673085 /nfs/dbraw/zinc/67/30/85/673673085.db2.gz NTVYAZFKHYWZGH-AWEZNQCLSA-N 1 2 353.350 2.090 20 5 FEBDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000741148025 673673089 /nfs/dbraw/zinc/67/30/89/673673089.db2.gz NTVYAZFKHYWZGH-AWEZNQCLSA-N 1 2 353.350 2.090 20 5 FEBDLO C[C@@H]1C[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H](C)S1 ZINC000743375066 673757310 /nfs/dbraw/zinc/75/73/10/673757310.db2.gz FVAOMWQUQJLCRO-TXEJJXNPSA-N 1 2 364.427 2.147 20 5 FEBDLO C[C@@H]1C[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H](C)S1 ZINC000743375066 673757312 /nfs/dbraw/zinc/75/73/12/673757312.db2.gz FVAOMWQUQJLCRO-TXEJJXNPSA-N 1 2 364.427 2.147 20 5 FEBDLO C[C@@H](NCc1cc(Br)c([N+](=O)[O-])s1)[C@H]1C[N@H+](C)CCO1 ZINC000602576413 673908414 /nfs/dbraw/zinc/90/84/14/673908414.db2.gz NAQXLJTYPGVNGS-LDYMZIIASA-N 1 2 364.265 2.228 20 5 FEBDLO C[C@@H](NCc1cc(Br)c([N+](=O)[O-])s1)[C@H]1C[N@@H+](C)CCO1 ZINC000602576413 673908416 /nfs/dbraw/zinc/90/84/16/673908416.db2.gz NAQXLJTYPGVNGS-LDYMZIIASA-N 1 2 364.265 2.228 20 5 FEBDLO CO[C@@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@@](C)(CO)C1 ZINC000602962354 673914953 /nfs/dbraw/zinc/91/49/53/673914953.db2.gz JRFCGAMELAVVAF-GXTWGEPZSA-N 1 2 359.220 2.329 20 5 FEBDLO CO[C@@H]1C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@@](C)(CO)C1 ZINC000602962354 673914956 /nfs/dbraw/zinc/91/49/56/673914956.db2.gz JRFCGAMELAVVAF-GXTWGEPZSA-N 1 2 359.220 2.329 20 5 FEBDLO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)C[C@H](C)[N@H+]1CCO ZINC000829015668 675859314 /nfs/dbraw/zinc/85/93/14/675859314.db2.gz PEWFJJHRLFXYOF-PHIMTYICSA-N 1 2 358.236 2.249 20 5 FEBDLO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)C[C@H](C)[N@@H+]1CCO ZINC000829015668 675859316 /nfs/dbraw/zinc/85/93/16/675859316.db2.gz PEWFJJHRLFXYOF-PHIMTYICSA-N 1 2 358.236 2.249 20 5 FEBDLO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000616415090 676249096 /nfs/dbraw/zinc/24/90/96/676249096.db2.gz RYDPQNJPUVYOEL-CQSZACIVSA-N 1 2 364.427 2.434 20 5 FEBDLO O=C1NC2(CO1)CC[NH+](Cc1cccc([N+](=O)[O-])c1Br)CC2 ZINC000839550941 680761000 /nfs/dbraw/zinc/76/10/00/680761000.db2.gz QHHQTNXJTCJYPS-UHFFFAOYSA-N 1 2 370.203 2.432 20 5 FEBDLO COC(=O)[C@]1(C)CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000839667172 680770469 /nfs/dbraw/zinc/77/04/69/680770469.db2.gz QJKLTJJEGZBNDN-MRXNPFEDSA-N 1 2 369.805 2.462 20 5 FEBDLO COC(=O)[C@]1(C)CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000839667172 680770472 /nfs/dbraw/zinc/77/04/72/680770472.db2.gz QJKLTJJEGZBNDN-MRXNPFEDSA-N 1 2 369.805 2.462 20 5 FEBDLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1F ZINC000764297169 680806005 /nfs/dbraw/zinc/80/60/05/680806005.db2.gz DNUQSLDQPWGYKY-CVEARBPZSA-N 1 2 351.378 2.107 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](Cc1sccc1Cl)C2 ZINC000981765131 680250472 /nfs/dbraw/zinc/25/04/72/680250472.db2.gz QSTGTPRVZWGAJU-DGCLKSJQSA-N 1 2 369.874 2.491 20 5 FEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](Cc1sccc1Cl)C2 ZINC000981765131 680250474 /nfs/dbraw/zinc/25/04/74/680250474.db2.gz QSTGTPRVZWGAJU-DGCLKSJQSA-N 1 2 369.874 2.491 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH+]2CCOCC2)cc1Cl ZINC000836225788 680437917 /nfs/dbraw/zinc/43/79/17/680437917.db2.gz XUWZEGRBZUEUQB-UHFFFAOYSA-N 1 2 355.822 2.397 20 5 FEBDLO O=C(NCC1CC[NH+](Cc2cccc(Cl)c2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001398301 680460027 /nfs/dbraw/zinc/46/00/27/680460027.db2.gz BPQHVUCQUSLVLF-UKRRQHHQSA-N 1 2 369.824 2.473 20 5 FEBDLO CC[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])cn2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000756908557 680504574 /nfs/dbraw/zinc/50/45/74/680504574.db2.gz HKJZGWYBQVJAMS-TZMCWYRMSA-N 1 2 353.423 2.374 20 5 FEBDLO CC[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])cn2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000756908557 680504575 /nfs/dbraw/zinc/50/45/75/680504575.db2.gz HKJZGWYBQVJAMS-TZMCWYRMSA-N 1 2 353.423 2.374 20 5 FEBDLO COc1c(C)c[nH+]c(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1C ZINC000759020832 680622018 /nfs/dbraw/zinc/62/20/18/680622018.db2.gz ZJAHIFWXEDQTAJ-UHFFFAOYSA-N 1 2 365.411 2.235 20 5 FEBDLO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](C)[NH+]1CCOCC1 ZINC000770021167 681003270 /nfs/dbraw/zinc/00/32/70/681003270.db2.gz SWDYKOLZNZGDKR-MNOVXSKESA-N 1 2 356.810 2.479 20 5 FEBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000843872114 681023134 /nfs/dbraw/zinc/02/31/34/681023134.db2.gz JRJRLCKQVSONDX-UHFFFAOYSA-N 1 2 353.394 2.225 20 5 FEBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000843872114 681023136 /nfs/dbraw/zinc/02/31/36/681023136.db2.gz JRJRLCKQVSONDX-UHFFFAOYSA-N 1 2 353.394 2.225 20 5 FEBDLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584964 681411125 /nfs/dbraw/zinc/41/11/25/681411125.db2.gz PWGDEQPYLJKLDI-QGZVFWFLSA-N 1 2 364.423 2.164 20 5 FEBDLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584964 681411128 /nfs/dbraw/zinc/41/11/28/681411128.db2.gz PWGDEQPYLJKLDI-QGZVFWFLSA-N 1 2 364.423 2.164 20 5 FEBDLO C[C@H](CNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC000848581752 681582993 /nfs/dbraw/zinc/58/29/93/681582993.db2.gz QQPUAWUMJBOGJZ-LLVKDONJSA-N 1 2 354.313 2.215 20 5 FEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000935713398 681806685 /nfs/dbraw/zinc/80/66/85/681806685.db2.gz RNDHWBUGEBIECZ-LBPRGKRZSA-N 1 2 353.444 2.109 20 5 FEBDLO CC[N@H+](CCc1ccccn1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000784172964 682204195 /nfs/dbraw/zinc/20/41/95/682204195.db2.gz DGUGVPZNFLXJAN-UHFFFAOYSA-N 1 2 363.439 2.328 20 5 FEBDLO CC[N@@H+](CCc1ccccn1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000784172964 682204201 /nfs/dbraw/zinc/20/42/01/682204201.db2.gz DGUGVPZNFLXJAN-UHFFFAOYSA-N 1 2 363.439 2.328 20 5 FEBDLO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000917476290 685532471 /nfs/dbraw/zinc/53/24/71/685532471.db2.gz DDWZYXXTXLMNET-LLVKDONJSA-N 1 2 364.793 2.148 20 5 FEBDLO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000917476290 685532472 /nfs/dbraw/zinc/53/24/72/685532472.db2.gz DDWZYXXTXLMNET-LLVKDONJSA-N 1 2 364.793 2.148 20 5 FEBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857983676 682929476 /nfs/dbraw/zinc/92/94/76/682929476.db2.gz BTLRPWDPYJJAKL-ONGXEEELSA-N 1 2 350.762 2.473 20 5 FEBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000796555665 683170454 /nfs/dbraw/zinc/17/04/54/683170454.db2.gz FHKRPWFSURQNAU-OAHLLOKOSA-N 1 2 351.790 2.171 20 5 FEBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000796555665 683170455 /nfs/dbraw/zinc/17/04/55/683170455.db2.gz FHKRPWFSURQNAU-OAHLLOKOSA-N 1 2 351.790 2.171 20 5 FEBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000928635511 683478921 /nfs/dbraw/zinc/47/89/21/683478921.db2.gz DQNPMTDGOVPRNB-ZDUSSCGKSA-N 1 2 353.444 2.157 20 5 FEBDLO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000863294464 683699496 /nfs/dbraw/zinc/69/94/96/683699496.db2.gz DIPHHTHQRDGBDQ-KGLIPLIRSA-N 1 2 362.411 2.339 20 5 FEBDLO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000863294464 683699498 /nfs/dbraw/zinc/69/94/98/683699498.db2.gz DIPHHTHQRDGBDQ-KGLIPLIRSA-N 1 2 362.411 2.339 20 5 FEBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)C1(F)CCOCC1 ZINC000870378567 684713534 /nfs/dbraw/zinc/71/35/34/684713534.db2.gz VQUHZDCPGMZJNT-HNNXBMFYSA-N 1 2 352.362 2.231 20 5 FEBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)C1(F)CCOCC1 ZINC000870378567 684713535 /nfs/dbraw/zinc/71/35/35/684713535.db2.gz VQUHZDCPGMZJNT-HNNXBMFYSA-N 1 2 352.362 2.231 20 5 FEBDLO C[C@H](NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000876405161 686199331 /nfs/dbraw/zinc/19/93/31/686199331.db2.gz KVNFUDDOHNGEFP-IHRRRGAJSA-N 1 2 350.419 2.064 20 5 FEBDLO C[C@H](NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000876405161 686199335 /nfs/dbraw/zinc/19/93/35/686199335.db2.gz KVNFUDDOHNGEFP-IHRRRGAJSA-N 1 2 350.419 2.064 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H](C(F)(F)F)O1 ZINC000880060827 686990194 /nfs/dbraw/zinc/99/01/94/686990194.db2.gz YSPRPWGRCLMFML-NOZJJQNGSA-N 1 2 361.320 2.235 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H](C(F)(F)F)O1 ZINC000880060827 686990196 /nfs/dbraw/zinc/99/01/96/686990196.db2.gz YSPRPWGRCLMFML-NOZJJQNGSA-N 1 2 361.320 2.235 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](c3nccs3)C2)cc1 ZINC000880319396 687033834 /nfs/dbraw/zinc/03/38/34/687033834.db2.gz FUHRDTGLRZUFKH-LBPRGKRZSA-N 1 2 367.452 2.315 20 5 FEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](c3nccs3)C2)cc1 ZINC000880319396 687033837 /nfs/dbraw/zinc/03/38/37/687033837.db2.gz FUHRDTGLRZUFKH-LBPRGKRZSA-N 1 2 367.452 2.315 20 5 FEBDLO COc1ccc(NC(=O)[C@H](C)Sc2nc(N)cc(C)[nH+]2)c([N+](=O)[O-])c1 ZINC000007177413 539450392 /nfs/dbraw/zinc/45/03/92/539450392.db2.gz UTXRUKSRESCBSD-VIFPVBQESA-N 1 2 363.399 2.403 20 5 FEBDLO CC(C)[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000025552644 539762898 /nfs/dbraw/zinc/76/28/98/539762898.db2.gz UDEOOPCRTISECA-INIZCTEOSA-N 1 2 367.471 2.160 20 5 FEBDLO C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026489869 539788266 /nfs/dbraw/zinc/78/82/66/539788266.db2.gz QHSKAUVYADESDO-CYBMUJFWSA-N 1 2 373.388 2.278 20 5 FEBDLO O=C(NCCNc1ccc([N+](=O)[O-])cc1)NCCc1cn2ccccc2[nH+]1 ZINC000027369014 539806494 /nfs/dbraw/zinc/80/64/94/539806494.db2.gz RZBSKNDWHUZTRK-UHFFFAOYSA-N 1 2 368.397 2.196 20 5 FEBDLO CN(C(=O)C[N@H+](C)Cc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000028967163 539840480 /nfs/dbraw/zinc/84/04/80/539840480.db2.gz GMVOETMOYXYHFS-UHFFFAOYSA-N 1 2 371.393 2.461 20 5 FEBDLO CN(C(=O)C[N@@H+](C)Cc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000028967163 539840481 /nfs/dbraw/zinc/84/04/81/539840481.db2.gz GMVOETMOYXYHFS-UHFFFAOYSA-N 1 2 371.393 2.461 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000029536784 539856624 /nfs/dbraw/zinc/85/66/24/539856624.db2.gz SKHBVGZJOYVQPK-PKOBYXMFSA-N 1 2 358.394 2.408 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000029536784 539856627 /nfs/dbraw/zinc/85/66/27/539856627.db2.gz SKHBVGZJOYVQPK-PKOBYXMFSA-N 1 2 358.394 2.408 20 5 FEBDLO CC(=O)c1ccc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c([N+](=O)[O-])c1 ZINC000029625787 539859294 /nfs/dbraw/zinc/85/92/94/539859294.db2.gz CQLSACFTGUHDKR-KRWDZBQOSA-N 1 2 365.455 2.417 20 5 FEBDLO Cc1cc(C)n(CCCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000032039292 539926483 /nfs/dbraw/zinc/92/64/83/539926483.db2.gz QKKSZWJQRJFNIF-UHFFFAOYSA-N 1 2 368.397 2.414 20 5 FEBDLO COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032153394 539929929 /nfs/dbraw/zinc/92/99/29/539929929.db2.gz QUYVEJLCRWBLBO-CYBMUJFWSA-N 1 2 360.370 2.098 20 5 FEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000041896816 540039250 /nfs/dbraw/zinc/03/92/50/540039250.db2.gz XGSKZWKSIIGIPA-UHFFFAOYSA-N 1 2 374.363 2.412 20 5 FEBDLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000047406771 540308306 /nfs/dbraw/zinc/30/83/06/540308306.db2.gz AEXHTAHEXMTJNI-CYBMUJFWSA-N 1 2 360.370 2.420 20 5 FEBDLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000047406771 540308309 /nfs/dbraw/zinc/30/83/09/540308309.db2.gz AEXHTAHEXMTJNI-CYBMUJFWSA-N 1 2 360.370 2.420 20 5 FEBDLO C[N@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)Cc1ccccc1[N+](=O)[O-] ZINC000052589682 540476223 /nfs/dbraw/zinc/47/62/23/540476223.db2.gz DWKIULRROZCAHO-INIZCTEOSA-N 1 2 355.394 2.147 20 5 FEBDLO C[N@@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)Cc1ccccc1[N+](=O)[O-] ZINC000052589682 540476225 /nfs/dbraw/zinc/47/62/25/540476225.db2.gz DWKIULRROZCAHO-INIZCTEOSA-N 1 2 355.394 2.147 20 5 FEBDLO Cc1ncc(C[N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)s1 ZINC000053144658 540512989 /nfs/dbraw/zinc/51/29/89/540512989.db2.gz QHMBJMDWSWBLLN-UHFFFAOYSA-N 1 2 364.383 2.159 20 5 FEBDLO Cc1ncc(C[N@@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)s1 ZINC000053144658 540512992 /nfs/dbraw/zinc/51/29/92/540512992.db2.gz QHMBJMDWSWBLLN-UHFFFAOYSA-N 1 2 364.383 2.159 20 5 FEBDLO CCOc1cc(Nc2ccn(CC[NH+]3CCOCC3)n2)ccc1[N+](=O)[O-] ZINC000536643548 540633085 /nfs/dbraw/zinc/63/30/85/540633085.db2.gz MDELRZZUJKPJDG-UHFFFAOYSA-N 1 2 361.402 2.266 20 5 FEBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000057004206 540761125 /nfs/dbraw/zinc/76/11/25/540761125.db2.gz QWOYZNROFTXLEJ-UHFFFAOYSA-N 1 2 355.398 2.458 20 5 FEBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000057020948 540763763 /nfs/dbraw/zinc/76/37/63/540763763.db2.gz SWWBPWZCKPAPBS-UHFFFAOYSA-N 1 2 372.406 2.400 20 5 FEBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000065510934 541242570 /nfs/dbraw/zinc/24/25/70/541242570.db2.gz VSFUFNMYYPUPTF-UHFFFAOYSA-N 1 2 366.381 2.217 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065858168 541267175 /nfs/dbraw/zinc/26/71/75/541267175.db2.gz SOIZEZUBKONWGP-UHFFFAOYSA-N 1 2 353.382 2.481 20 5 FEBDLO CN(C)c1[nH+]cccc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067052133 541410776 /nfs/dbraw/zinc/41/07/76/541410776.db2.gz QKKAFESWLYMBFS-UHFFFAOYSA-N 1 2 352.354 2.494 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000067806704 541516422 /nfs/dbraw/zinc/51/64/22/541516422.db2.gz BDRDNZIGMKSCGY-UHFFFAOYSA-N 1 2 361.423 2.453 20 5 FEBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC000067806704 541516426 /nfs/dbraw/zinc/51/64/26/541516426.db2.gz BDRDNZIGMKSCGY-UHFFFAOYSA-N 1 2 361.423 2.453 20 5 FEBDLO COc1ccc(CC(=O)NCCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000067798011 541514822 /nfs/dbraw/zinc/51/48/22/541514822.db2.gz IMJFAXOYIZIPJT-UHFFFAOYSA-N 1 2 354.366 2.153 20 5 FEBDLO O=C(NCCCOC[C@H]1CCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000068532583 541604810 /nfs/dbraw/zinc/60/48/10/541604810.db2.gz MNOINMMQMURIIL-OAHLLOKOSA-N 1 2 374.397 2.096 20 5 FEBDLO CC(=O)NC(C)(C)c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000072548931 541829508 /nfs/dbraw/zinc/82/95/08/541829508.db2.gz IXLICXAENTXQCS-UHFFFAOYSA-N 1 2 356.342 2.202 20 5 FEBDLO Cn1cc(C[N@@H+]2CCC[C@H]2c2nncn2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093809598 542941666 /nfs/dbraw/zinc/94/16/66/542941666.db2.gz AWOREHWNTIODBX-INIZCTEOSA-N 1 2 367.413 2.461 20 5 FEBDLO Cn1cc(C[N@H+]2CCC[C@H]2c2nncn2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093809598 542941670 /nfs/dbraw/zinc/94/16/70/542941670.db2.gz AWOREHWNTIODBX-INIZCTEOSA-N 1 2 367.413 2.461 20 5 FEBDLO NC(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1F ZINC000102631285 543075297 /nfs/dbraw/zinc/07/52/97/543075297.db2.gz TUUQVEBPEKPDJF-UHFFFAOYSA-N 1 2 369.312 2.271 20 5 FEBDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000103474687 543109229 /nfs/dbraw/zinc/10/92/29/543109229.db2.gz QXQCIQPFCAXJIZ-GFCCVEGCSA-N 1 2 361.402 2.186 20 5 FEBDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000103474687 543109231 /nfs/dbraw/zinc/10/92/31/543109231.db2.gz QXQCIQPFCAXJIZ-GFCCVEGCSA-N 1 2 361.402 2.186 20 5 FEBDLO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)Cn1cccn1 ZINC000109119518 543314359 /nfs/dbraw/zinc/31/43/59/543314359.db2.gz WCPKPVHNTBNPMU-ZDUSSCGKSA-N 1 2 354.370 2.043 20 5 FEBDLO O=Cc1ccc(OCC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000109265038 543319425 /nfs/dbraw/zinc/31/94/25/543319425.db2.gz QUKPPVLEGXTZHA-CYBMUJFWSA-N 1 2 358.354 2.263 20 5 FEBDLO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(=O)OC(C)(C)C ZINC000117337955 543629499 /nfs/dbraw/zinc/62/94/99/543629499.db2.gz BMWBISAOIDSMFF-UHFFFAOYSA-N 1 2 365.386 2.166 20 5 FEBDLO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(=O)OC(C)(C)C ZINC000117337955 543629503 /nfs/dbraw/zinc/62/95/03/543629503.db2.gz BMWBISAOIDSMFF-UHFFFAOYSA-N 1 2 365.386 2.166 20 5 FEBDLO O=[N+]([O-])c1cc(CN2CC[C@H]([NH+]3CCOCC3)C2)ccc1Br ZINC000123012785 543737564 /nfs/dbraw/zinc/73/75/64/543737564.db2.gz SEJLZTHDZJGZOJ-ZDUSSCGKSA-N 1 2 370.247 2.264 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)ccc1Br ZINC000123012785 543737566 /nfs/dbraw/zinc/73/75/66/543737566.db2.gz SEJLZTHDZJGZOJ-ZDUSSCGKSA-N 1 2 370.247 2.264 20 5 FEBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](N3CCOCC3)C2)ccc1Br ZINC000123012785 543737567 /nfs/dbraw/zinc/73/75/67/543737567.db2.gz SEJLZTHDZJGZOJ-ZDUSSCGKSA-N 1 2 370.247 2.264 20 5 FEBDLO O=[N+]([O-])c1cc(CN2CC[NH+](Cc3cccnc3)CC2)c2c(c1)COCO2 ZINC000125272114 543871759 /nfs/dbraw/zinc/87/17/59/543871759.db2.gz JJYHMFPOZNDCGE-UHFFFAOYSA-N 1 2 370.409 2.174 20 5 FEBDLO COc1ccc(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)cc1[N+](=O)[O-] ZINC000130015883 544135887 /nfs/dbraw/zinc/13/58/87/544135887.db2.gz URKRYRKRPODUCT-UHFFFAOYSA-N 1 2 371.393 2.267 20 5 FEBDLO COc1cc(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)ccc1[N+](=O)[O-] ZINC000130973057 544172884 /nfs/dbraw/zinc/17/28/84/544172884.db2.gz QBXVDZCVMBLSCA-UHFFFAOYSA-N 1 2 371.393 2.267 20 5 FEBDLO COc1ncccc1N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000132981685 544251119 /nfs/dbraw/zinc/25/11/19/544251119.db2.gz KJYHUZIPFUODJK-UHFFFAOYSA-N 1 2 353.338 2.461 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCOC4(CCOCC4)C3)n2)c1 ZINC000135594037 544354831 /nfs/dbraw/zinc/35/48/31/544354831.db2.gz VAJDYRDSCGKSPS-UHFFFAOYSA-N 1 2 360.370 2.026 20 5 FEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCOC4(CCOCC4)C3)n2)c1 ZINC000135594037 544354833 /nfs/dbraw/zinc/35/48/33/544354833.db2.gz VAJDYRDSCGKSPS-UHFFFAOYSA-N 1 2 360.370 2.026 20 5 FEBDLO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCN(CCOc3ccccc3)CC2)c1 ZINC000136892573 544381095 /nfs/dbraw/zinc/38/10/95/544381095.db2.gz YPRPXTLMYHZDCT-HXUWFJFHSA-N 1 2 371.437 2.325 20 5 FEBDLO NC(=O)c1ccc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000141744342 544414717 /nfs/dbraw/zinc/41/47/17/544414717.db2.gz VGLHHQDQEJPKSB-INIZCTEOSA-N 1 2 359.382 2.468 20 5 FEBDLO NC(=O)c1ccc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000141744342 544414718 /nfs/dbraw/zinc/41/47/18/544414718.db2.gz VGLHHQDQEJPKSB-INIZCTEOSA-N 1 2 359.382 2.468 20 5 FEBDLO C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000151277832 544523506 /nfs/dbraw/zinc/52/35/06/544523506.db2.gz QJEKCRPJFLYQEK-FZMZJTMJSA-N 1 2 368.390 2.202 20 5 FEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000154459909 544909492 /nfs/dbraw/zinc/90/94/92/544909492.db2.gz PDIFXWCIAFXJJY-ULQDDVLXSA-N 1 2 362.382 2.046 20 5 FEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000154459909 544909494 /nfs/dbraw/zinc/90/94/94/544909494.db2.gz PDIFXWCIAFXJJY-ULQDDVLXSA-N 1 2 362.382 2.046 20 5 FEBDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000154992389 544975316 /nfs/dbraw/zinc/97/53/16/544975316.db2.gz GNERCSKNLCWQKX-UHFFFAOYSA-N 1 2 354.370 2.139 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000182237751 327766958 /nfs/dbraw/zinc/76/69/58/327766958.db2.gz IHOWQEXZGUDFLQ-ZDUSSCGKSA-N 1 2 362.430 2.112 20 5 FEBDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1ccncc1[N+](=O)[O-] ZINC000183627792 327827414 /nfs/dbraw/zinc/82/74/14/327827414.db2.gz MDUSIYKCMPZNQI-UHFFFAOYSA-N 1 2 371.397 2.144 20 5 FEBDLO CSc1cccc(C(=O)NCC(C)(C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000185981058 327941873 /nfs/dbraw/zinc/94/18/73/327941873.db2.gz MNKZYVMUDAGFHV-UHFFFAOYSA-N 1 2 353.444 2.157 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186373108 327958886 /nfs/dbraw/zinc/95/88/86/327958886.db2.gz HFGXQTSADSTIHW-UHFFFAOYSA-N 1 2 356.382 2.351 20 5 FEBDLO CSc1cccc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000188139083 328068742 /nfs/dbraw/zinc/06/87/42/328068742.db2.gz LNXZTVJOVNBKKW-RYUDHWBXSA-N 1 2 353.444 2.156 20 5 FEBDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000188786893 328110845 /nfs/dbraw/zinc/11/08/45/328110845.db2.gz MVGAMSGRZZWJJZ-DOTOQJQBSA-N 1 2 360.366 2.353 20 5 FEBDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000188786893 328110846 /nfs/dbraw/zinc/11/08/46/328110846.db2.gz MVGAMSGRZZWJJZ-DOTOQJQBSA-N 1 2 360.366 2.353 20 5 FEBDLO COc1cc[nH+]c(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)c1OC ZINC000190357815 328202716 /nfs/dbraw/zinc/20/27/16/328202716.db2.gz UJVMPMYBYQNXAD-UHFFFAOYSA-N 1 2 358.398 2.329 20 5 FEBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCCCn2c(C)[nH+]c3ccccc32)n1 ZINC000191771642 328280941 /nfs/dbraw/zinc/28/09/41/328280941.db2.gz BIWHYENQMKOXNR-UHFFFAOYSA-N 1 2 356.386 2.289 20 5 FEBDLO COC(=O)c1ccccc1N(C)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192714257 328334749 /nfs/dbraw/zinc/33/47/49/328334749.db2.gz CGHUMOLKDPIMQL-UHFFFAOYSA-N 1 2 371.393 2.476 20 5 FEBDLO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192714257 328334750 /nfs/dbraw/zinc/33/47/50/328334750.db2.gz CGHUMOLKDPIMQL-UHFFFAOYSA-N 1 2 371.393 2.476 20 5 FEBDLO COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)[NH+](C)C)c1 ZINC000194739146 328437789 /nfs/dbraw/zinc/43/77/89/328437789.db2.gz AGQHTWBZDHSHBC-INIZCTEOSA-N 1 2 359.382 2.342 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091083019 325373617 /nfs/dbraw/zinc/37/36/17/325373617.db2.gz GBSTUIXOOBLJCD-GFCCVEGCSA-N 1 2 356.373 2.195 20 5 FEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCN(CC(F)F)CC1 ZINC000091083019 325373618 /nfs/dbraw/zinc/37/36/18/325373618.db2.gz GBSTUIXOOBLJCD-GFCCVEGCSA-N 1 2 356.373 2.195 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(N3CCCC3=O)CC2)cccc1[N+](=O)[O-] ZINC000104728119 325543429 /nfs/dbraw/zinc/54/34/29/325543429.db2.gz JEPXFTTTZOBNEC-AWEZNQCLSA-N 1 2 374.441 2.317 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000120318538 326249108 /nfs/dbraw/zinc/24/91/08/326249108.db2.gz XOGWXBDDUNLHDF-ZIAGYGMSSA-N 1 2 350.419 2.442 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000120319692 326249373 /nfs/dbraw/zinc/24/93/73/326249373.db2.gz GHDZKIRCOCCPLT-UHFFFAOYSA-N 1 2 372.429 2.295 20 5 FEBDLO COc1ccc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000121406798 326336606 /nfs/dbraw/zinc/33/66/06/326336606.db2.gz UCGKKWJVTOROQF-LBPRGKRZSA-N 1 2 366.399 2.242 20 5 FEBDLO CN(C(=O)C[NH+]1CCN(c2cccc(O)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000121630152 326353504 /nfs/dbraw/zinc/35/35/04/326353504.db2.gz XJGLZECDUQDJLJ-UHFFFAOYSA-N 1 2 370.409 2.085 20 5 FEBDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000127448371 326506542 /nfs/dbraw/zinc/50/65/42/326506542.db2.gz KGURZDNVLGDARK-UHFFFAOYSA-N 1 2 351.384 2.140 20 5 FEBDLO C[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000153791573 326742856 /nfs/dbraw/zinc/74/28/56/326742856.db2.gz IDKXFCGGISLYRO-ZDUSSCGKSA-N 1 2 354.370 2.043 20 5 FEBDLO Cc1nc(C2CC[NH+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000156922119 326848660 /nfs/dbraw/zinc/84/86/60/326848660.db2.gz LBLWYNPHFIVPGU-LLVKDONJSA-N 1 2 359.386 2.493 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161158831 326990039 /nfs/dbraw/zinc/99/00/39/326990039.db2.gz ZJOMLEBAIRGNBU-OAHLLOKOSA-N 1 2 369.425 2.135 20 5 FEBDLO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000163497078 327053103 /nfs/dbraw/zinc/05/31/03/327053103.db2.gz WTGVPNBECDJKSH-UHFFFAOYSA-N 1 2 350.404 2.023 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000171015537 327112811 /nfs/dbraw/zinc/11/28/11/327112811.db2.gz QRMLLEZBAPXYDR-CYBMUJFWSA-N 1 2 350.419 2.066 20 5 FEBDLO C[C@@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000171015537 327112812 /nfs/dbraw/zinc/11/28/12/327112812.db2.gz QRMLLEZBAPXYDR-CYBMUJFWSA-N 1 2 350.419 2.066 20 5 FEBDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173102787 327235533 /nfs/dbraw/zinc/23/55/33/327235533.db2.gz DXEKAOKALIBGAS-UHFFFAOYSA-N 1 2 358.398 2.087 20 5 FEBDLO O=C(c1cccc(O)c1)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000174669450 327342502 /nfs/dbraw/zinc/34/25/02/327342502.db2.gz JKIQEJVWWYJCQD-UHFFFAOYSA-N 1 2 371.393 2.137 20 5 FEBDLO O=[N+]([O-])c1cnn(CC[NH+]2CCN(Cc3nc4ccccc4s3)CC2)c1 ZINC000174810043 327352699 /nfs/dbraw/zinc/35/26/99/327352699.db2.gz XCNHRFZGWHRFER-UHFFFAOYSA-N 1 2 372.454 2.219 20 5 FEBDLO O=[N+]([O-])c1cnn(CCN2CC[NH+](Cc3nc4ccccc4s3)CC2)c1 ZINC000174810043 327352701 /nfs/dbraw/zinc/35/27/01/327352701.db2.gz XCNHRFZGWHRFER-UHFFFAOYSA-N 1 2 372.454 2.219 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000175869605 327418844 /nfs/dbraw/zinc/41/88/44/327418844.db2.gz IHDNTYPNRMYHQR-UHFFFAOYSA-N 1 2 364.427 2.498 20 5 FEBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000178811603 327608442 /nfs/dbraw/zinc/60/84/42/327608442.db2.gz DXQVPXFPFLREHK-NSHDSACASA-N 1 2 360.370 2.241 20 5 FEBDLO CC(C)NC(=O)c1ccc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000264270396 329006430 /nfs/dbraw/zinc/00/64/30/329006430.db2.gz NPRRUFAVGBZOJI-KGLIPLIRSA-N 1 2 364.446 2.254 20 5 FEBDLO CN(C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1)S(C)(=O)=O ZINC000265477807 329131293 /nfs/dbraw/zinc/13/12/93/329131293.db2.gz RIXKRQXYCWMNIR-UHFFFAOYSA-N 1 2 361.851 2.104 20 5 FEBDLO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000266393143 329218485 /nfs/dbraw/zinc/21/84/85/329218485.db2.gz WGQJNLAEHNBBIH-CQSZACIVSA-N 1 2 358.398 2.013 20 5 FEBDLO CC[C@H](C)NC(=O)CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272502790 329786191 /nfs/dbraw/zinc/78/61/91/329786191.db2.gz HLAZOWQTVNJAPY-SUMWQHHRSA-N 1 2 359.430 2.312 20 5 FEBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)nc1 ZINC000273719369 329886205 /nfs/dbraw/zinc/88/62/05/329886205.db2.gz GKACWUYKPJSNPI-UHFFFAOYSA-N 1 2 356.411 2.317 20 5 FEBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000276060765 330115579 /nfs/dbraw/zinc/11/55/79/330115579.db2.gz AAQCRCFQNFHQPQ-WFASDCNBSA-N 1 2 364.427 2.282 20 5 FEBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000276060762 330115585 /nfs/dbraw/zinc/11/55/85/330115585.db2.gz AAQCRCFQNFHQPQ-SWLSCSKDSA-N 1 2 364.427 2.282 20 5 FEBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000367073353 330213763 /nfs/dbraw/zinc/21/37/63/330213763.db2.gz SBXISVNRVUBPQM-SFHVURJKSA-N 1 2 369.425 2.355 20 5 FEBDLO Cc1ccc([C@H]2C[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000158842373 545899723 /nfs/dbraw/zinc/89/97/23/545899723.db2.gz JSYZJGLNLKXWIR-MAUKXSAKSA-N 1 2 362.382 2.309 20 5 FEBDLO Cc1ccc([C@H]2C[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000158842373 545899726 /nfs/dbraw/zinc/89/97/26/545899726.db2.gz JSYZJGLNLKXWIR-MAUKXSAKSA-N 1 2 362.382 2.309 20 5 FEBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161225381 546111945 /nfs/dbraw/zinc/11/19/45/546111945.db2.gz WRWJSCYVEBNPII-AWEZNQCLSA-N 1 2 356.382 2.154 20 5 FEBDLO COC(=O)[C@@H](C)CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000171169269 546193832 /nfs/dbraw/zinc/19/38/32/546193832.db2.gz CZDINEKZVPRJER-LBPRGKRZSA-N 1 2 372.381 2.194 20 5 FEBDLO Cc1ccc([C@@H](C)NC(=O)NCC[N@@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000176121301 546409686 /nfs/dbraw/zinc/40/96/86/546409686.db2.gz GFYJHLNRTZLMDM-CQSZACIVSA-N 1 2 364.446 2.374 20 5 FEBDLO Cc1ccc([C@@H](C)NC(=O)NCC[N@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000176121301 546409689 /nfs/dbraw/zinc/40/96/89/546409689.db2.gz GFYJHLNRTZLMDM-CQSZACIVSA-N 1 2 364.446 2.374 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)cc1C ZINC000481029444 561223279 /nfs/dbraw/zinc/22/32/79/561223279.db2.gz YQHJHTJKNUIRJI-UHFFFAOYSA-N 1 2 350.400 2.473 20 5 FEBDLO CCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000481778716 561241977 /nfs/dbraw/zinc/24/19/77/561241977.db2.gz MJRQAKXXVISBCN-CQSZACIVSA-N 1 2 364.446 2.030 20 5 FEBDLO COCCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000179338859 546934079 /nfs/dbraw/zinc/93/40/79/546934079.db2.gz CHUQYYOSDXLKJP-BBRMVZONSA-N 1 2 351.403 2.049 20 5 FEBDLO COCCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000179338859 546934081 /nfs/dbraw/zinc/93/40/81/546934081.db2.gz CHUQYYOSDXLKJP-BBRMVZONSA-N 1 2 351.403 2.049 20 5 FEBDLO CCCCNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000482893241 561262310 /nfs/dbraw/zinc/26/23/10/561262310.db2.gz GPUXVXBAOOVZPP-UHFFFAOYSA-N 1 2 364.446 2.032 20 5 FEBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000180918715 547209178 /nfs/dbraw/zinc/20/91/78/547209178.db2.gz FNELDYBKEKVORC-UHFFFAOYSA-N 1 2 351.366 2.352 20 5 FEBDLO O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1Cc1[nH+]ccn1CC(F)(F)F ZINC000483157575 561269020 /nfs/dbraw/zinc/26/90/20/561269020.db2.gz XGHGWCQPQLJWRO-UHFFFAOYSA-N 1 2 369.259 2.219 20 5 FEBDLO COC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000181412939 547310475 /nfs/dbraw/zinc/31/04/75/547310475.db2.gz WCDVXQGBYZEOKT-HNNXBMFYSA-N 1 2 365.336 2.449 20 5 FEBDLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 ZINC000182544975 547510721 /nfs/dbraw/zinc/51/07/21/547510721.db2.gz FYMCNVPAJWWJHB-UHFFFAOYSA-N 1 2 372.381 2.104 20 5 FEBDLO Cc1csc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000184208205 547787015 /nfs/dbraw/zinc/78/70/15/547787015.db2.gz CQZBRKLSFFFWBI-NSHDSACASA-N 1 2 355.441 2.484 20 5 FEBDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000485700999 561326203 /nfs/dbraw/zinc/32/62/03/561326203.db2.gz HSELMISVPIYNAU-LLVKDONJSA-N 1 2 351.403 2.196 20 5 FEBDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000485700999 561326204 /nfs/dbraw/zinc/32/62/04/561326204.db2.gz HSELMISVPIYNAU-LLVKDONJSA-N 1 2 351.403 2.196 20 5 FEBDLO Cc1nn(C)c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1[N+](=O)[O-] ZINC000194108460 548436577 /nfs/dbraw/zinc/43/65/77/548436577.db2.gz HMIKIJGRYGUOHT-UHFFFAOYSA-N 1 2 364.431 2.331 20 5 FEBDLO CN1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000195138031 548582102 /nfs/dbraw/zinc/58/21/02/548582102.db2.gz PUXLQLUTHTVPGG-ICSRJNTNSA-N 1 2 371.437 2.323 20 5 FEBDLO CN1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000195138031 548582106 /nfs/dbraw/zinc/58/21/06/548582106.db2.gz PUXLQLUTHTVPGG-ICSRJNTNSA-N 1 2 371.437 2.323 20 5 FEBDLO O=C(CN1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)Nc1ccccc1F ZINC000195198777 548595358 /nfs/dbraw/zinc/59/53/58/548595358.db2.gz OPISBUIKPACRSI-UHFFFAOYSA-N 1 2 372.400 2.490 20 5 FEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCN(C)c2[nH+]cccc21 ZINC000487118001 561364113 /nfs/dbraw/zinc/36/41/13/561364113.db2.gz LHGQHZWAHKFDTE-UHFFFAOYSA-N 1 2 362.411 2.252 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000246879156 549233734 /nfs/dbraw/zinc/23/37/34/549233734.db2.gz DNZWHTYKCWATDP-GDBMZVCRSA-N 1 2 364.423 2.470 20 5 FEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000246879156 549233741 /nfs/dbraw/zinc/23/37/41/549233741.db2.gz DNZWHTYKCWATDP-GDBMZVCRSA-N 1 2 364.423 2.470 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000249057941 549543297 /nfs/dbraw/zinc/54/32/97/549543297.db2.gz JBUGDRXZRDVPSH-BXUZGUMPSA-N 1 2 360.370 2.276 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000249057941 549543302 /nfs/dbraw/zinc/54/33/02/549543302.db2.gz JBUGDRXZRDVPSH-BXUZGUMPSA-N 1 2 360.370 2.276 20 5 FEBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3[nH]nc(C)c3[N+](=O)[O-])CC2)c1 ZINC000264135002 549983159 /nfs/dbraw/zinc/98/31/59/549983159.db2.gz NISBSAKUCXXFPR-CYBMUJFWSA-N 1 2 373.413 2.154 20 5 FEBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])CC2)c1 ZINC000264135002 549983162 /nfs/dbraw/zinc/98/31/62/549983162.db2.gz NISBSAKUCXXFPR-CYBMUJFWSA-N 1 2 373.413 2.154 20 5 FEBDLO O=C(C[N@@H+]1CCc2ccccc2[C@H]1CO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000268478197 550072911 /nfs/dbraw/zinc/07/29/11/550072911.db2.gz KGFIEAFRABBAHS-LJQANCHMSA-N 1 2 367.405 2.076 20 5 FEBDLO O=C(C[N@H+]1CCc2ccccc2[C@H]1CO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000268478197 550072913 /nfs/dbraw/zinc/07/29/13/550072913.db2.gz KGFIEAFRABBAHS-LJQANCHMSA-N 1 2 367.405 2.076 20 5 FEBDLO CC(C)c1n[nH]c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000269340355 550182867 /nfs/dbraw/zinc/18/28/67/550182867.db2.gz CXRDXGUMJKYJNR-UHFFFAOYSA-N 1 2 358.402 2.367 20 5 FEBDLO CC1CC[NH+](Cc2csc(NC(=O)c3nn(C)cc3[N+](=O)[O-])n2)CC1 ZINC000270926568 550322213 /nfs/dbraw/zinc/32/22/13/550322213.db2.gz DNSWIMKOSJZSEV-UHFFFAOYSA-N 1 2 364.431 2.269 20 5 FEBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3nn(C)cc3[N+](=O)[O-])n2)C1 ZINC000271135675 550344099 /nfs/dbraw/zinc/34/40/99/550344099.db2.gz QZFYEAAGDJXZAN-JTQLQIEISA-N 1 2 364.431 2.269 20 5 FEBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3nn(C)cc3[N+](=O)[O-])n2)C1 ZINC000271135675 550344102 /nfs/dbraw/zinc/34/41/02/550344102.db2.gz QZFYEAAGDJXZAN-JTQLQIEISA-N 1 2 364.431 2.269 20 5 FEBDLO CC(C)(C)[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000273413589 550497612 /nfs/dbraw/zinc/49/76/12/550497612.db2.gz QVEZXLOTPLUKDH-JKSUJKDBSA-N 1 2 370.471 2.097 20 5 FEBDLO CC(C)(C)[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000273413589 550497613 /nfs/dbraw/zinc/49/76/13/550497613.db2.gz QVEZXLOTPLUKDH-JKSUJKDBSA-N 1 2 370.471 2.097 20 5 FEBDLO COc1cc(C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)ccc1[N+](=O)[O-] ZINC000494633981 561472892 /nfs/dbraw/zinc/47/28/92/561472892.db2.gz BLYRYFBBNJHWQU-CYBMUJFWSA-N 1 2 373.373 2.258 20 5 FEBDLO Cc1c(F)cc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000274869759 550560980 /nfs/dbraw/zinc/56/09/80/550560980.db2.gz LVWNNYWWEMHONJ-LLVKDONJSA-N 1 2 368.390 2.334 20 5 FEBDLO Cc1[nH]nc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1[N+](=O)[O-] ZINC000279614001 550908687 /nfs/dbraw/zinc/90/86/87/550908687.db2.gz XEIOXYJLACKXEP-UHFFFAOYSA-N 1 2 358.402 2.179 20 5 FEBDLO Cc1n[nH]c(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1[N+](=O)[O-] ZINC000279614001 550908688 /nfs/dbraw/zinc/90/86/88/550908688.db2.gz XEIOXYJLACKXEP-UHFFFAOYSA-N 1 2 358.402 2.179 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279703737 550919049 /nfs/dbraw/zinc/91/90/49/550919049.db2.gz HETYZJVNFNLEKS-KBPBESRZSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279703737 550919050 /nfs/dbraw/zinc/91/90/50/550919050.db2.gz HETYZJVNFNLEKS-KBPBESRZSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC2(CCOCC2)O1 ZINC000279823309 550932919 /nfs/dbraw/zinc/93/29/19/550932919.db2.gz QQCXZVOQZZATAV-ZDUSSCGKSA-N 1 2 364.398 2.231 20 5 FEBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC2(CCOCC2)O1 ZINC000279823309 550932920 /nfs/dbraw/zinc/93/29/20/550932920.db2.gz QQCXZVOQZZATAV-ZDUSSCGKSA-N 1 2 364.398 2.231 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280340614 550982771 /nfs/dbraw/zinc/98/27/71/550982771.db2.gz IIWZHFGPPXQEJA-ACJLOTCBSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280340614 550982773 /nfs/dbraw/zinc/98/27/73/550982773.db2.gz IIWZHFGPPXQEJA-ACJLOTCBSA-N 1 2 363.414 2.192 20 5 FEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ncc(Br)cc1[N+](=O)[O-] ZINC000286296803 551871284 /nfs/dbraw/zinc/87/12/84/551871284.db2.gz JFCCZKBXWMBMBI-JQWIXIFHSA-N 1 2 371.235 2.052 20 5 FEBDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000286967507 551945908 /nfs/dbraw/zinc/94/59/08/551945908.db2.gz NSTOEVKBWMUOKQ-AWEZNQCLSA-N 1 2 364.402 2.052 20 5 FEBDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000286967507 551945909 /nfs/dbraw/zinc/94/59/09/551945909.db2.gz NSTOEVKBWMUOKQ-AWEZNQCLSA-N 1 2 364.402 2.052 20 5 FEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000287564872 552019679 /nfs/dbraw/zinc/01/96/79/552019679.db2.gz WWNKUQFBDHFSIZ-YPMHNXCESA-N 1 2 353.806 2.183 20 5 FEBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000288293559 552127732 /nfs/dbraw/zinc/12/77/32/552127732.db2.gz BTVHUFWCRSRREF-UHFFFAOYSA-N 1 2 352.464 2.123 20 5 FEBDLO CCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000500467938 561574072 /nfs/dbraw/zinc/57/40/72/561574072.db2.gz NJEOUMDFXBYRHT-ZIAGYGMSSA-N 1 2 362.430 2.221 20 5 FEBDLO CCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000500467938 561574073 /nfs/dbraw/zinc/57/40/73/561574073.db2.gz NJEOUMDFXBYRHT-ZIAGYGMSSA-N 1 2 362.430 2.221 20 5 FEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000290935510 552565244 /nfs/dbraw/zinc/56/52/44/552565244.db2.gz ZDUQDYDNWHXGQQ-CYBMUJFWSA-N 1 2 371.397 2.225 20 5 FEBDLO CC(C)(CNc1c2ccccc2ncc1[N+](=O)[O-])[NH+]1CCS(=O)CC1 ZINC000291973846 552680606 /nfs/dbraw/zinc/68/06/06/552680606.db2.gz PEMWZUFAKOJETF-UHFFFAOYSA-N 1 2 362.455 2.398 20 5 FEBDLO CCC[C@H](C)C(=O)NCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000293795268 552857155 /nfs/dbraw/zinc/85/71/55/552857155.db2.gz XSYGFKIDNPXXEL-ZDUSSCGKSA-N 1 2 373.413 2.063 20 5 FEBDLO CC(C)CN1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1=O ZINC000501980214 561609311 /nfs/dbraw/zinc/60/93/11/561609311.db2.gz VGAUKLIXFRRWDV-CQSZACIVSA-N 1 2 362.430 2.112 20 5 FEBDLO CC(C)CN1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1=O ZINC000501980214 561609312 /nfs/dbraw/zinc/60/93/12/561609312.db2.gz VGAUKLIXFRRWDV-CQSZACIVSA-N 1 2 362.430 2.112 20 5 FEBDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000502355615 561616944 /nfs/dbraw/zinc/61/69/44/561616944.db2.gz VKFJMEPKTUMICI-UHFFFAOYSA-N 1 2 374.422 2.373 20 5 FEBDLO Cc1cc(F)c(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000296652479 553193740 /nfs/dbraw/zinc/19/37/40/553193740.db2.gz FONAMLBJTNRXJJ-OLZOCXBDSA-N 1 2 366.393 2.369 20 5 FEBDLO COc1cc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)c([N+](=O)[O-])cc1F ZINC000297775939 553337218 /nfs/dbraw/zinc/33/72/18/553337218.db2.gz PKAOXLIIDCCFEO-CQSZACIVSA-N 1 2 364.333 2.328 20 5 FEBDLO COc1cc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)c([N+](=O)[O-])cc1F ZINC000297775939 553337219 /nfs/dbraw/zinc/33/72/19/553337219.db2.gz PKAOXLIIDCCFEO-CQSZACIVSA-N 1 2 364.333 2.328 20 5 FEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H](O)c2c(F)cccc2F)CC1 ZINC000298068963 553379749 /nfs/dbraw/zinc/37/97/49/553379749.db2.gz KWJGODGAPPWHFN-HNNXBMFYSA-N 1 2 364.352 2.124 20 5 FEBDLO CC(C)N(C(=O)[C@H](C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)C(C)C ZINC000298109926 553385719 /nfs/dbraw/zinc/38/57/19/553385719.db2.gz OGOJTEBNGHHGKY-HNNXBMFYSA-N 1 2 363.462 2.146 20 5 FEBDLO CC1(C)CCC[C@]1(O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000503916372 561649922 /nfs/dbraw/zinc/64/99/22/561649922.db2.gz ZVEFXAMTGHZAGM-SFHVURJKSA-N 1 2 358.398 2.452 20 5 FEBDLO Cc1nc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)c2c([nH+]1)CCCC2 ZINC000299168452 553524414 /nfs/dbraw/zinc/52/44/14/553524414.db2.gz ZXAGBOZCNZJYSW-UHFFFAOYSA-N 1 2 354.414 2.294 20 5 FEBDLO O=C1COc2cc([N+](=O)[O-])c(NCCc3cn4ccccc4[nH+]3)cc2N1 ZINC000301613719 553665645 /nfs/dbraw/zinc/66/56/45/553665645.db2.gz HMDNATZUFJOPCW-UHFFFAOYSA-N 1 2 353.338 2.228 20 5 FEBDLO O=c1c(Cl)c(NCCCn2cc[nH+]c2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000301992740 553696680 /nfs/dbraw/zinc/69/66/80/553696680.db2.gz QUMMVYFRFICFCE-UHFFFAOYSA-N 1 2 374.788 2.493 20 5 FEBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000505543058 561673694 /nfs/dbraw/zinc/67/36/94/561673694.db2.gz OJLIFGSCWVVBJL-INIZCTEOSA-N 1 2 358.423 2.255 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN(C(=O)N(C)C)CC1(C)C ZINC000330700253 554159680 /nfs/dbraw/zinc/15/96/80/554159680.db2.gz NDLOLEGGJFJIPO-UHFFFAOYSA-N 1 2 350.419 2.181 20 5 FEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN(C(=O)N(C)C)CC1(C)C ZINC000330700253 554159681 /nfs/dbraw/zinc/15/96/81/554159681.db2.gz NDLOLEGGJFJIPO-UHFFFAOYSA-N 1 2 350.419 2.181 20 5 FEBDLO CC1(C)CCC[N@H+](CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000331282264 554241374 /nfs/dbraw/zinc/24/13/74/554241374.db2.gz LKQGKSFAJVXDQR-UHFFFAOYSA-N 1 2 359.423 2.134 20 5 FEBDLO CC1(C)CCC[N@@H+](CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000331282264 554241378 /nfs/dbraw/zinc/24/13/78/554241378.db2.gz LKQGKSFAJVXDQR-UHFFFAOYSA-N 1 2 359.423 2.134 20 5 FEBDLO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000331436493 554264305 /nfs/dbraw/zinc/26/43/05/554264305.db2.gz CWZZTQNUZDAEMK-JOYOIKCWSA-N 1 2 359.835 2.009 20 5 FEBDLO C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000331436493 554264307 /nfs/dbraw/zinc/26/43/07/554264307.db2.gz CWZZTQNUZDAEMK-JOYOIKCWSA-N 1 2 359.835 2.009 20 5 FEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000332447139 554447651 /nfs/dbraw/zinc/44/76/51/554447651.db2.gz DCWDSMSGZCIASZ-ZDUSSCGKSA-N 1 2 353.444 2.373 20 5 FEBDLO Cc1ccc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000332466784 554451343 /nfs/dbraw/zinc/45/13/43/554451343.db2.gz SIGJHHYHBNUPEY-UHFFFAOYSA-N 1 2 350.400 2.195 20 5 FEBDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C2 ZINC000332610976 554483098 /nfs/dbraw/zinc/48/30/98/554483098.db2.gz FSKUUVMETPLDOC-LLVKDONJSA-N 1 2 357.414 2.416 20 5 FEBDLO CCOc1cc(C[NH+]2CCN([C@@H](CC)C(=O)OC)CC2)ccc1[N+](=O)[O-] ZINC000511592860 561873736 /nfs/dbraw/zinc/87/37/36/561873736.db2.gz KDHMJZKSMFTLIC-HNNXBMFYSA-N 1 2 365.430 2.063 20 5 FEBDLO COc1ccc(C(=O)C2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)cc1 ZINC000363171685 555045477 /nfs/dbraw/zinc/04/54/77/555045477.db2.gz BIFNEEZOTMLESO-UHFFFAOYSA-N 1 2 358.398 2.432 20 5 FEBDLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000364682685 555373908 /nfs/dbraw/zinc/37/39/08/555373908.db2.gz QCOVTCCRNYNMEK-JKSUJKDBSA-N 1 2 369.381 2.185 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C2 ZINC000365061514 555476404 /nfs/dbraw/zinc/47/64/04/555476404.db2.gz BEHPYQVQJLLVON-AWEZNQCLSA-N 1 2 369.425 2.445 20 5 FEBDLO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000365832510 555677851 /nfs/dbraw/zinc/67/78/51/555677851.db2.gz ONEUCIDJQRFEKI-UHFFFAOYSA-N 1 2 369.385 2.283 20 5 FEBDLO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000365832510 555677853 /nfs/dbraw/zinc/67/78/53/555677853.db2.gz ONEUCIDJQRFEKI-UHFFFAOYSA-N 1 2 369.385 2.283 20 5 FEBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000366286002 555802123 /nfs/dbraw/zinc/80/21/23/555802123.db2.gz RCTALQGDXDCNDQ-GOEBONIOSA-N 1 2 351.359 2.273 20 5 FEBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000366286002 555802125 /nfs/dbraw/zinc/80/21/25/555802125.db2.gz RCTALQGDXDCNDQ-GOEBONIOSA-N 1 2 351.359 2.273 20 5 FEBDLO Cc1nn(C)c(C(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000366914841 555968317 /nfs/dbraw/zinc/96/83/17/555968317.db2.gz YDFKLMBUSLEBDA-CYBMUJFWSA-N 1 2 363.805 2.077 20 5 FEBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCOC[C@H]1C1CC1 ZINC000367280863 556007055 /nfs/dbraw/zinc/00/70/55/556007055.db2.gz PXGVWGZTKYTHPL-SFHVURJKSA-N 1 2 359.426 2.197 20 5 FEBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCOC[C@H]1C1CC1 ZINC000367280863 556007059 /nfs/dbraw/zinc/00/70/59/556007059.db2.gz PXGVWGZTKYTHPL-SFHVURJKSA-N 1 2 359.426 2.197 20 5 FEBDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000368028244 556198891 /nfs/dbraw/zinc/19/88/91/556198891.db2.gz ZPIWDSCTXXTWDT-SFHVURJKSA-N 1 2 374.441 2.132 20 5 FEBDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000368028244 556198893 /nfs/dbraw/zinc/19/88/93/556198893.db2.gz ZPIWDSCTXXTWDT-SFHVURJKSA-N 1 2 374.441 2.132 20 5 FEBDLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)nn1 ZINC000368707832 556393012 /nfs/dbraw/zinc/39/30/12/556393012.db2.gz SNWWAYMYVQYDCL-NSHDSACASA-N 1 2 365.777 2.073 20 5 FEBDLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)nn1 ZINC000368707832 556393014 /nfs/dbraw/zinc/39/30/14/556393014.db2.gz SNWWAYMYVQYDCL-NSHDSACASA-N 1 2 365.777 2.073 20 5 FEBDLO Cc1cc(C2=CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)cc([N+](=O)[O-])c1N ZINC000369094246 556503837 /nfs/dbraw/zinc/50/38/37/556503837.db2.gz GZVKFJIQEXABNU-UHFFFAOYSA-N 1 2 355.398 2.457 20 5 FEBDLO Cc1cc(C2=CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)cc([N+](=O)[O-])c1N ZINC000369094246 556503841 /nfs/dbraw/zinc/50/38/41/556503841.db2.gz GZVKFJIQEXABNU-UHFFFAOYSA-N 1 2 355.398 2.457 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@]2(CCCOC2)O1 ZINC000369550900 556629116 /nfs/dbraw/zinc/62/91/16/556629116.db2.gz NMPSLUIGGRKBOZ-ACJLOTCBSA-N 1 2 374.397 2.415 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@]2(CCCOC2)O1 ZINC000369550900 556629117 /nfs/dbraw/zinc/62/91/17/556629117.db2.gz NMPSLUIGGRKBOZ-ACJLOTCBSA-N 1 2 374.397 2.415 20 5 FEBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)no1 ZINC000369890740 556722284 /nfs/dbraw/zinc/72/22/84/556722284.db2.gz APYGLSOSXHLLEG-GFCCVEGCSA-N 1 2 363.374 2.006 20 5 FEBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)no1 ZINC000369890740 556722286 /nfs/dbraw/zinc/72/22/86/556722286.db2.gz APYGLSOSXHLLEG-GFCCVEGCSA-N 1 2 363.374 2.006 20 5 FEBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@]2(CCCOC2)O1 ZINC000370711752 556946475 /nfs/dbraw/zinc/94/64/75/556946475.db2.gz XXQKJOZFRXXLDI-ACJLOTCBSA-N 1 2 364.398 2.231 20 5 FEBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@]2(CCCOC2)O1 ZINC000370711752 556946476 /nfs/dbraw/zinc/94/64/76/556946476.db2.gz XXQKJOZFRXXLDI-ACJLOTCBSA-N 1 2 364.398 2.231 20 5 FEBDLO O=C1COc2cc([N+](=O)[O-])c(N[C@H]3CCCN(c4cccc[nH+]4)C3)cc2N1 ZINC000371383983 557169060 /nfs/dbraw/zinc/16/90/60/557169060.db2.gz HSRPWZZOSUYTPI-LBPRGKRZSA-N 1 2 369.381 2.402 20 5 FEBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccn(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000372550114 557501684 /nfs/dbraw/zinc/50/16/84/557501684.db2.gz KDCZHDIDGVJNIL-CYBMUJFWSA-N 1 2 366.381 2.030 20 5 FEBDLO COc1ccccc1[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000374367428 557872722 /nfs/dbraw/zinc/87/27/22/557872722.db2.gz VTZGPYRTUCAUEJ-INIZCTEOSA-N 1 2 355.394 2.319 20 5 FEBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3cc(N)ccc3[N+](=O)[O-])CC2)no1 ZINC000374551539 557898761 /nfs/dbraw/zinc/89/87/61/557898761.db2.gz UQTKAGACRXUQOH-AWEZNQCLSA-N 1 2 360.418 2.359 20 5 FEBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3cc(N)ccc3[N+](=O)[O-])CC2)no1 ZINC000374551539 557898762 /nfs/dbraw/zinc/89/87/62/557898762.db2.gz UQTKAGACRXUQOH-AWEZNQCLSA-N 1 2 360.418 2.359 20 5 FEBDLO CN(C(=O)C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000374895441 557947484 /nfs/dbraw/zinc/94/74/84/557947484.db2.gz JQSATKCPTDZJSR-LJQANCHMSA-N 1 2 373.384 2.290 20 5 FEBDLO CN(C(=O)C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000374895441 557947486 /nfs/dbraw/zinc/94/74/86/557947486.db2.gz JQSATKCPTDZJSR-LJQANCHMSA-N 1 2 373.384 2.290 20 5 FEBDLO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000375460114 558031481 /nfs/dbraw/zinc/03/14/81/558031481.db2.gz VJJQXZRMJVGJQO-IBGZPJMESA-N 1 2 372.425 2.469 20 5 FEBDLO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000375460114 558031484 /nfs/dbraw/zinc/03/14/84/558031484.db2.gz VJJQXZRMJVGJQO-IBGZPJMESA-N 1 2 372.425 2.469 20 5 FEBDLO Cn1c(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000522215576 562194421 /nfs/dbraw/zinc/19/44/21/562194421.db2.gz HMDOKUQYBWSUSL-YVMONPNESA-N 1 2 354.410 2.405 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000377490493 558350011 /nfs/dbraw/zinc/35/00/11/558350011.db2.gz BIIDEQYOIZUWKC-ZDUSSCGKSA-N 1 2 361.358 2.152 20 5 FEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1c1ncon1 ZINC000377490493 558350012 /nfs/dbraw/zinc/35/00/12/558350012.db2.gz BIIDEQYOIZUWKC-ZDUSSCGKSA-N 1 2 361.358 2.152 20 5 FEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000523525891 562214560 /nfs/dbraw/zinc/21/45/60/562214560.db2.gz ONMRFXNCTHZJTH-SECBINFHSA-N 1 2 353.176 2.372 20 5 FEBDLO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378518656 558573914 /nfs/dbraw/zinc/57/39/14/558573914.db2.gz MZAOTTNDKVZWQB-OAHLLOKOSA-N 1 2 352.354 2.481 20 5 FEBDLO Cc1ccnc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c1[N+](=O)[O-] ZINC000523755424 562219251 /nfs/dbraw/zinc/21/92/51/562219251.db2.gz ZGGVVGLFMRGGIA-UHFFFAOYSA-N 1 2 370.409 2.392 20 5 FEBDLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2csnn2)c([N+](=O)[O-])c1 ZINC000412039018 559005282 /nfs/dbraw/zinc/00/52/82/559005282.db2.gz KWGUAIPZHWPFMU-DTWKUNHWSA-N 1 2 351.388 2.133 20 5 FEBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000412152831 559017313 /nfs/dbraw/zinc/01/73/13/559017313.db2.gz VXIHBPQEUMPMAJ-FGTMMUONSA-N 1 2 359.426 2.022 20 5 FEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412393151 559032974 /nfs/dbraw/zinc/03/29/74/559032974.db2.gz DABRJRSECISYMH-SNVBAGLBSA-N 1 2 350.350 2.379 20 5 FEBDLO C[C@H](O)[C@H]1CCN(c2cc(NCCc3ccc([N+](=O)[O-])cc3)[nH+]cn2)C1 ZINC000413081267 559076056 /nfs/dbraw/zinc/07/60/56/559076056.db2.gz ZDUANCHAKPRKIO-ZFWWWQNUSA-N 1 2 357.414 2.247 20 5 FEBDLO C[C@H](O)[C@H]1CCN(c2cc(NCCc3ccc([N+](=O)[O-])cc3)nc[nH+]2)C1 ZINC000413081267 559076057 /nfs/dbraw/zinc/07/60/57/559076057.db2.gz ZDUANCHAKPRKIO-ZFWWWQNUSA-N 1 2 357.414 2.247 20 5 FEBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H](C)Cn2cc[nH+]c2)c1 ZINC000414468586 559166579 /nfs/dbraw/zinc/16/65/79/559166579.db2.gz KNQWYCNAKDWUFW-LBPRGKRZSA-N 1 2 352.416 2.023 20 5 FEBDLO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2cc(F)ccc2C[NH2+]1 ZINC000420460368 559488648 /nfs/dbraw/zinc/48/86/48/559488648.db2.gz MSCLLLUALKYYQF-SECBINFHSA-N 1 2 371.415 2.482 20 5 FEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000421869931 559555108 /nfs/dbraw/zinc/55/51/08/559555108.db2.gz SDNMICRJASQRGF-UHFFFAOYSA-N 1 2 355.398 2.272 20 5 FEBDLO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1SC ZINC000427995754 559767233 /nfs/dbraw/zinc/76/72/33/559767233.db2.gz WXXQNVIYBAPWSQ-JTQLQIEISA-N 1 2 362.411 2.267 20 5 FEBDLO CC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000429704193 559804266 /nfs/dbraw/zinc/80/42/66/559804266.db2.gz PMRSALMULUHAON-HNNXBMFYSA-N 1 2 365.411 2.189 20 5 FEBDLO COC(=O)C(C)(C)[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432143471 559852904 /nfs/dbraw/zinc/85/29/04/559852904.db2.gz OBVPNINMXKOUFY-UHFFFAOYSA-N 1 2 358.398 2.217 20 5 FEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000439886928 560001451 /nfs/dbraw/zinc/00/14/51/560001451.db2.gz FHMBQOMGRHPUBU-UHFFFAOYSA-N 1 2 366.418 2.226 20 5 FEBDLO CCN1CC[NH+]([C@H](C)CNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000440715475 560017070 /nfs/dbraw/zinc/01/70/70/560017070.db2.gz GZCKIULGAUAFIW-CQSZACIVSA-N 1 2 364.446 2.128 20 5 FEBDLO CCC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OC ZINC000448771480 560198517 /nfs/dbraw/zinc/19/85/17/560198517.db2.gz NSQAXHCTIBQXSF-QGZVFWFLSA-N 1 2 360.370 2.242 20 5 FEBDLO CCOC(=O)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448830001 560201380 /nfs/dbraw/zinc/20/13/80/560201380.db2.gz DQIBBUBJXCFAMS-HNNXBMFYSA-N 1 2 372.381 2.338 20 5 FEBDLO COC(=O)CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000448978052 560210045 /nfs/dbraw/zinc/21/00/45/560210045.db2.gz ATWTVCRTDBHDPA-UHFFFAOYSA-N 1 2 360.370 2.194 20 5 FEBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](CC3=CCCCC3)CC2)c1 ZINC000450223979 560254472 /nfs/dbraw/zinc/25/44/72/560254472.db2.gz QVMXSOWAUZQSCL-UHFFFAOYSA-N 1 2 365.455 2.402 20 5 FEBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000450327430 560258760 /nfs/dbraw/zinc/25/87/60/560258760.db2.gz BXPCDHHCBUDRTA-UHFFFAOYSA-N 1 2 368.397 2.197 20 5 FEBDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1(C)C ZINC000451685347 560321880 /nfs/dbraw/zinc/32/18/80/560321880.db2.gz BUFVNBBGORULGL-LLVKDONJSA-N 1 2 356.429 2.162 20 5 FEBDLO COc1cc(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000451900331 560335805 /nfs/dbraw/zinc/33/58/05/560335805.db2.gz ZYKMDGQDGUSKHW-OQPBUACISA-N 1 2 352.284 2.488 20 5 FEBDLO COc1cc(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000451900331 560335806 /nfs/dbraw/zinc/33/58/06/560335806.db2.gz ZYKMDGQDGUSKHW-OQPBUACISA-N 1 2 352.284 2.488 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451903240 560335938 /nfs/dbraw/zinc/33/59/38/560335938.db2.gz IXWCRBFJFDSIIX-GIPNMCIBSA-N 1 2 361.320 2.167 20 5 FEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451903240 560335939 /nfs/dbraw/zinc/33/59/39/560335939.db2.gz IXWCRBFJFDSIIX-GIPNMCIBSA-N 1 2 361.320 2.167 20 5 FEBDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000451933666 560338721 /nfs/dbraw/zinc/33/87/21/560338721.db2.gz OSLNNQJLFSGREF-AWEZNQCLSA-N 1 2 355.460 2.316 20 5 FEBDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000451933666 560338722 /nfs/dbraw/zinc/33/87/22/560338722.db2.gz OSLNNQJLFSGREF-AWEZNQCLSA-N 1 2 355.460 2.316 20 5 FEBDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000451936621 560339238 /nfs/dbraw/zinc/33/92/38/560339238.db2.gz YNVCXBRVFSDHME-LBPRGKRZSA-N 1 2 352.416 2.468 20 5 FEBDLO COc1ccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])c(OC)c3)CC2)nc1 ZINC000452062382 560349103 /nfs/dbraw/zinc/34/91/03/560349103.db2.gz YFWDFVKSZWPSPN-UHFFFAOYSA-N 1 2 358.398 2.329 20 5 FEBDLO CC(C)(C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)[NH+]1CCOCC1 ZINC000452844501 560376067 /nfs/dbraw/zinc/37/60/67/560376067.db2.gz ITRNFPDLDQLWGU-MRXNPFEDSA-N 1 2 361.442 2.412 20 5 FEBDLO COC(=O)[C@H](CC(C)C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000452933942 560378387 /nfs/dbraw/zinc/37/83/87/560378387.db2.gz VCIYLZMKAAYHLQ-INIZCTEOSA-N 1 2 374.397 2.440 20 5 FEBDLO CNc1nc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000454819662 560459380 /nfs/dbraw/zinc/45/93/80/560459380.db2.gz UMLPWBOCGNMUSC-UHFFFAOYSA-N 1 2 370.413 2.347 20 5 FEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000457029355 560544714 /nfs/dbraw/zinc/54/47/14/560544714.db2.gz SPMPFIRRBAXDJJ-UHFFFAOYSA-N 1 2 373.409 2.091 20 5 FEBDLO C[C@H]1C[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c2[nH+]ccn21 ZINC000459119715 560667676 /nfs/dbraw/zinc/66/76/76/560667676.db2.gz QSORANCMBAFVTR-NHYWBVRUSA-N 1 2 357.370 2.270 20 5 FEBDLO COCC(=O)NC1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000459623411 560698515 /nfs/dbraw/zinc/69/85/15/560698515.db2.gz WBNQPGGRMHMABP-UHFFFAOYSA-N 1 2 361.423 2.270 20 5 FEBDLO COc1ncccc1CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000461467630 560772979 /nfs/dbraw/zinc/77/29/79/560772979.db2.gz SLVOPPKCGUYNLY-UHFFFAOYSA-N 1 2 367.365 2.157 20 5 FEBDLO CNC(=O)N[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000468687731 560936183 /nfs/dbraw/zinc/93/61/83/560936183.db2.gz LIPDWPRPFBXFQI-LBPRGKRZSA-N 1 2 361.427 2.222 20 5 FEBDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000468687731 560936184 /nfs/dbraw/zinc/93/61/84/560936184.db2.gz LIPDWPRPFBXFQI-LBPRGKRZSA-N 1 2 361.427 2.222 20 5 FEBDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000470144134 560975454 /nfs/dbraw/zinc/97/54/54/560975454.db2.gz MRCOUSKBDOLFGQ-INIZCTEOSA-N 1 2 366.393 2.308 20 5 FEBDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000470144134 560975455 /nfs/dbraw/zinc/97/54/55/560975455.db2.gz MRCOUSKBDOLFGQ-INIZCTEOSA-N 1 2 366.393 2.308 20 5 FEBDLO CC[C@H]1C[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000475574362 561100210 /nfs/dbraw/zinc/10/02/10/561100210.db2.gz WOPGOVOBCZOLNT-OCCSQVGLSA-N 1 2 352.387 2.146 20 5 FEBDLO CC[C@H]1C[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000475574362 561100211 /nfs/dbraw/zinc/10/02/11/561100211.db2.gz WOPGOVOBCZOLNT-OCCSQVGLSA-N 1 2 352.387 2.146 20 5 FEBDLO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@@H]1n1cc[nH+]c1 ZINC000531834571 562458407 /nfs/dbraw/zinc/45/84/07/562458407.db2.gz GXVDZIPVJSVIRU-WFASDCNBSA-N 1 2 372.381 2.286 20 5 FEBDLO Cc1sc(S(=O)(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000545934350 562631431 /nfs/dbraw/zinc/63/14/31/562631431.db2.gz DMLAHLPJIYTIOD-CYBMUJFWSA-N 1 2 367.452 2.430 20 5 FEBDLO Cc1sc(S(=O)(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000545934350 562631432 /nfs/dbraw/zinc/63/14/32/562631432.db2.gz DMLAHLPJIYTIOD-CYBMUJFWSA-N 1 2 367.452 2.430 20 5 FEBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000555924849 674381309 /nfs/dbraw/zinc/38/13/09/674381309.db2.gz DRULWLJTBYOJBT-LLVKDONJSA-N 1 2 364.229 2.031 20 5 FEBDLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000568883297 568244370 /nfs/dbraw/zinc/24/43/70/568244370.db2.gz VSIBCOFWJTYTEI-UHFFFAOYSA-N 1 2 368.440 2.230 20 5 FEBDLO CC[N@H+]1CCc2nc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000568883297 568244371 /nfs/dbraw/zinc/24/43/71/568244371.db2.gz VSIBCOFWJTYTEI-UHFFFAOYSA-N 1 2 368.440 2.230 20 5 FEBDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809830215 674514117 /nfs/dbraw/zinc/51/41/17/674514117.db2.gz TXBZXFGFYPDHFQ-IUCAKERBSA-N 1 2 365.814 2.100 20 5 FEBDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809830215 674514118 /nfs/dbraw/zinc/51/41/18/674514118.db2.gz TXBZXFGFYPDHFQ-IUCAKERBSA-N 1 2 365.814 2.100 20 5 FEBDLO Cc1nn(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000811800910 674629133 /nfs/dbraw/zinc/62/91/33/674629133.db2.gz FRAXWIJTSFLVHA-GFCCVEGCSA-N 1 2 361.793 2.402 20 5 FEBDLO Cc1nn(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000811800910 674629135 /nfs/dbraw/zinc/62/91/35/674629135.db2.gz FRAXWIJTSFLVHA-GFCCVEGCSA-N 1 2 361.793 2.402 20 5 FEBDLO Cc1nn(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000811800912 674629190 /nfs/dbraw/zinc/62/91/90/674629190.db2.gz FRAXWIJTSFLVHA-LBPRGKRZSA-N 1 2 361.793 2.402 20 5 FEBDLO Cc1nn(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000811800912 674629195 /nfs/dbraw/zinc/62/91/95/674629195.db2.gz FRAXWIJTSFLVHA-LBPRGKRZSA-N 1 2 361.793 2.402 20 5 FEBDLO O=C(NCCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1Br ZINC000159044078 672276545 /nfs/dbraw/zinc/27/65/45/672276545.db2.gz QKUVEDACSZIOOP-UHFFFAOYSA-N 1 2 353.176 2.374 20 5 FEBDLO Cc1nn(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c(C)c1[N+](=O)[O-] ZINC000176208798 672374152 /nfs/dbraw/zinc/37/41/52/672374152.db2.gz UDCQKHGDDMUIFB-INIZCTEOSA-N 1 2 352.435 2.416 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000176674663 672375954 /nfs/dbraw/zinc/37/59/54/672375954.db2.gz UPLLBKAYTOAZSW-UHFFFAOYSA-N 1 2 373.862 2.273 20 5 FEBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3cccs3)CC2)n1 ZINC000587010204 672439990 /nfs/dbraw/zinc/43/99/90/672439990.db2.gz QBZDHSNUYUWYRK-UHFFFAOYSA-N 1 2 362.411 2.160 20 5 FEBDLO C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594400370 673067855 /nfs/dbraw/zinc/06/78/55/673067855.db2.gz BGEDBXYHSPWFOB-UTUOFQBUSA-N 1 2 355.822 2.476 20 5 FEBDLO C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594400370 673067859 /nfs/dbraw/zinc/06/78/59/673067859.db2.gz BGEDBXYHSPWFOB-UTUOFQBUSA-N 1 2 355.822 2.476 20 5 FEBDLO O=[N+]([O-])c1cccc(Br)c1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000596111941 673359631 /nfs/dbraw/zinc/35/96/31/673359631.db2.gz FBOKKPAHOHSLEQ-JSGCOSHPSA-N 1 2 370.247 2.393 20 5 FEBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000741146715 673673176 /nfs/dbraw/zinc/67/31/76/673673176.db2.gz PHRDJDYUVABYQX-GFCCVEGCSA-N 1 2 355.778 2.214 20 5 FEBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000741146715 673673177 /nfs/dbraw/zinc/67/31/77/673673177.db2.gz PHRDJDYUVABYQX-GFCCVEGCSA-N 1 2 355.778 2.214 20 5 FEBDLO C[C@]1(CO)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@]1(C)CO ZINC000599627304 673699222 /nfs/dbraw/zinc/69/92/22/673699222.db2.gz XBCPSEFCNWNINY-GASCZTMLSA-N 1 2 362.348 2.426 20 5 FEBDLO C[C@]1(CO)C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@]1(C)CO ZINC000599627304 673699224 /nfs/dbraw/zinc/69/92/24/673699224.db2.gz XBCPSEFCNWNINY-GASCZTMLSA-N 1 2 362.348 2.426 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cccc1[N+](=O)[O-] ZINC000599631989 673699789 /nfs/dbraw/zinc/69/97/89/673699789.db2.gz NUIGAKIZDMYIML-WMJUZZJDSA-N 1 2 365.455 2.216 20 5 FEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cccc1[N+](=O)[O-] ZINC000599631989 673699793 /nfs/dbraw/zinc/69/97/93/673699793.db2.gz NUIGAKIZDMYIML-WMJUZZJDSA-N 1 2 365.455 2.216 20 5 FEBDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000742237698 673715085 /nfs/dbraw/zinc/71/50/85/673715085.db2.gz NSMQFISUTDFZKX-UHFFFAOYSA-N 1 2 360.336 2.118 20 5 FEBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000742237698 673715088 /nfs/dbraw/zinc/71/50/88/673715088.db2.gz NSMQFISUTDFZKX-UHFFFAOYSA-N 1 2 360.336 2.118 20 5 FEBDLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000601851719 673898773 /nfs/dbraw/zinc/89/87/73/673898773.db2.gz PNQRYNHBBPOCOE-UHFFFAOYSA-N 1 2 358.423 2.473 20 5 FEBDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000614924923 676196790 /nfs/dbraw/zinc/19/67/90/676196790.db2.gz PERAOXNVDKXHBG-AWEZNQCLSA-N 1 2 361.320 2.237 20 5 FEBDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000614924923 676196792 /nfs/dbraw/zinc/19/67/92/676196792.db2.gz PERAOXNVDKXHBG-AWEZNQCLSA-N 1 2 361.320 2.237 20 5 FEBDLO C[C@H](NCc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1C[N@H+](C)CCO1 ZINC000602576412 673908396 /nfs/dbraw/zinc/90/83/96/673908396.db2.gz NAQXLJTYPGVNGS-KWQFWETISA-N 1 2 364.265 2.228 20 5 FEBDLO C[C@H](NCc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1C[N@@H+](C)CCO1 ZINC000602576412 673908398 /nfs/dbraw/zinc/90/83/98/673908398.db2.gz NAQXLJTYPGVNGS-KWQFWETISA-N 1 2 364.265 2.228 20 5 FEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000602837928 673911723 /nfs/dbraw/zinc/91/17/23/673911723.db2.gz DMUUSTLNXMAIMG-BETUJISGSA-N 1 2 351.451 2.067 20 5 FEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000602837928 673911724 /nfs/dbraw/zinc/91/17/24/673911724.db2.gz DMUUSTLNXMAIMG-BETUJISGSA-N 1 2 351.451 2.067 20 5 FEBDLO Cn1cc(C[NH+]2CCC(Oc3cncc(Cl)c3)CC2)c([N+](=O)[O-])n1 ZINC000602838110 673911878 /nfs/dbraw/zinc/91/18/78/673911878.db2.gz QVYGMJAVWNOYDU-UHFFFAOYSA-N 1 2 351.794 2.420 20 5 FEBDLO O=C(C[NH+]1CCC(CCF)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000602948157 673914268 /nfs/dbraw/zinc/91/42/68/673914268.db2.gz ARUCYMJAAQQBDB-UHFFFAOYSA-N 1 2 353.350 2.334 20 5 FEBDLO O=[N+]([O-])c1ccc(CNc2cnn(CC[NH+]3CCOCC3)c2)cc1Cl ZINC000761525227 680725946 /nfs/dbraw/zinc/72/59/46/680725946.db2.gz DNVIFYDJSVCZLI-UHFFFAOYSA-N 1 2 365.821 2.389 20 5 FEBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)ccc1Cl ZINC000839621649 680767333 /nfs/dbraw/zinc/76/73/33/680767333.db2.gz HYUJLFYGHOPRJV-UHFFFAOYSA-N 1 2 373.862 2.248 20 5 FEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000765737809 680853234 /nfs/dbraw/zinc/85/32/34/680853234.db2.gz HBJNAMMWRDLYLZ-GHMZBOCLSA-N 1 2 361.851 2.351 20 5 FEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000765737809 680853236 /nfs/dbraw/zinc/85/32/36/680853236.db2.gz HBJNAMMWRDLYLZ-GHMZBOCLSA-N 1 2 361.851 2.351 20 5 FEBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000832414796 680131667 /nfs/dbraw/zinc/13/16/67/680131667.db2.gz LFZUQQGHAVQQBI-GFCCVEGCSA-N 1 2 361.851 2.353 20 5 FEBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000832414796 680131668 /nfs/dbraw/zinc/13/16/68/680131668.db2.gz LFZUQQGHAVQQBI-GFCCVEGCSA-N 1 2 361.851 2.353 20 5 FEBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000755019926 680394344 /nfs/dbraw/zinc/39/43/44/680394344.db2.gz BZNXXSZKHAWZHX-UHFFFAOYSA-N 1 2 357.139 2.458 20 5 FEBDLO O=C(NCC1=CC[N@H+](Cc2ccc(F)cc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000670775 680436841 /nfs/dbraw/zinc/43/68/41/680436841.db2.gz SIHFZXMPRPHQFW-GDBMZVCRSA-N 1 2 367.808 2.393 20 5 FEBDLO O=C(NCC1=CC[N@@H+](Cc2ccc(F)cc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000670775 680436844 /nfs/dbraw/zinc/43/68/44/680436844.db2.gz SIHFZXMPRPHQFW-GDBMZVCRSA-N 1 2 367.808 2.393 20 5 FEBDLO COc1cccc(Cl)c1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002789803 680508257 /nfs/dbraw/zinc/50/82/57/680508257.db2.gz XACBBBDYXUATIO-IUODEOHRSA-N 1 2 367.833 2.094 20 5 FEBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC001005379253 680573526 /nfs/dbraw/zinc/57/35/26/680573526.db2.gz RDJBRQFUWIUUMO-HZPDHXFCSA-N 1 2 353.369 2.053 20 5 FEBDLO CCCc1nc(C[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001045436164 680629482 /nfs/dbraw/zinc/62/94/82/680629482.db2.gz KVUZETBCNBELBR-ZIAGYGMSSA-N 1 2 366.487 2.232 20 5 FEBDLO O=C(C[NH+]1CCC(C2(O)CC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844362909 681054281 /nfs/dbraw/zinc/05/42/81/681054281.db2.gz GEEPQYLCUMZNTC-UHFFFAOYSA-N 1 2 353.806 2.424 20 5 FEBDLO CC(C)[N@H+](CCN(C)C(=O)OC(C)(C)C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000932408233 681243121 /nfs/dbraw/zinc/24/31/21/681243121.db2.gz LAKUFTINWAUVCQ-UHFFFAOYSA-N 1 2 355.439 2.406 20 5 FEBDLO CC(C)[N@@H+](CCN(C)C(=O)OC(C)(C)C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000932408233 681243125 /nfs/dbraw/zinc/24/31/25/681243125.db2.gz LAKUFTINWAUVCQ-UHFFFAOYSA-N 1 2 355.439 2.406 20 5 FEBDLO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000778091549 681570180 /nfs/dbraw/zinc/57/01/80/681570180.db2.gz VWSGCNJWRJGQMB-JTQLQIEISA-N 1 2 370.818 2.046 20 5 FEBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCCc2ccccc2Cl)C1 ZINC000950056178 681670728 /nfs/dbraw/zinc/67/07/28/681670728.db2.gz VSVUHPHZTQFWAJ-NVXWUHKLSA-N 1 2 365.861 2.471 20 5 FEBDLO Cc1nn(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000779867393 681762459 /nfs/dbraw/zinc/76/24/59/681762459.db2.gz ICEADPORNOHDHZ-AAEUAGOBSA-N 1 2 353.423 2.292 20 5 FEBDLO Cc1nn(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000779867393 681762467 /nfs/dbraw/zinc/76/24/67/681762467.db2.gz ICEADPORNOHDHZ-AAEUAGOBSA-N 1 2 353.423 2.292 20 5 FEBDLO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000851821668 682148353 /nfs/dbraw/zinc/14/83/53/682148353.db2.gz WVFJGLLWNXFNJQ-VIFPVBQESA-N 1 2 365.814 2.150 20 5 FEBDLO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000851821668 682148356 /nfs/dbraw/zinc/14/83/56/682148356.db2.gz WVFJGLLWNXFNJQ-VIFPVBQESA-N 1 2 365.814 2.150 20 5 FEBDLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000852443639 682280064 /nfs/dbraw/zinc/28/00/64/682280064.db2.gz PXWVVYXNVPEECD-LLVKDONJSA-N 1 2 370.203 2.384 20 5 FEBDLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000852443639 682280066 /nfs/dbraw/zinc/28/00/66/682280066.db2.gz PXWVVYXNVPEECD-LLVKDONJSA-N 1 2 370.203 2.384 20 5 FEBDLO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)[C@H]1C ZINC000787328698 682450700 /nfs/dbraw/zinc/45/07/00/682450700.db2.gz SYKHAFCJSWFZBP-JBLDHEPKSA-N 1 2 369.805 2.459 20 5 FEBDLO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)[C@H]1C ZINC000787328698 682450703 /nfs/dbraw/zinc/45/07/03/682450703.db2.gz SYKHAFCJSWFZBP-JBLDHEPKSA-N 1 2 369.805 2.459 20 5 FEBDLO CCc1noc(C[C@]2(O)CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000856591395 682794393 /nfs/dbraw/zinc/79/43/93/682794393.db2.gz ARRXWHAHYLDZJL-OAHLLOKOSA-N 1 2 352.416 2.171 20 5 FEBDLO CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000856591395 682794395 /nfs/dbraw/zinc/79/43/95/682794395.db2.gz ARRXWHAHYLDZJL-OAHLLOKOSA-N 1 2 352.416 2.171 20 5 FEBDLO CON(C)C(=O)CC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792892631 682847949 /nfs/dbraw/zinc/84/79/49/682847949.db2.gz QUPTYCXTIXDFLH-UHFFFAOYSA-N 1 2 372.219 2.125 20 5 FEBDLO CON(C)C(=O)CC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792892631 682847956 /nfs/dbraw/zinc/84/79/56/682847956.db2.gz QUPTYCXTIXDFLH-UHFFFAOYSA-N 1 2 372.219 2.125 20 5 FEBDLO COc1cc(C(=O)NCc2nc(C[NH+](C)C)cs2)cc([N+](=O)[O-])c1C ZINC000927767115 683307734 /nfs/dbraw/zinc/30/77/34/683307734.db2.gz SWSLBVINCDCVRL-UHFFFAOYSA-N 1 2 364.427 2.360 20 5 FEBDLO CO[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)[C@@](C)(CO)C1 ZINC000931471586 684287739 /nfs/dbraw/zinc/28/77/39/684287739.db2.gz SPSHLHNDFLZJJY-GXTWGEPZSA-N 1 2 359.220 2.329 20 5 FEBDLO CO[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)[C@@](C)(CO)C1 ZINC000931471586 684287742 /nfs/dbraw/zinc/28/77/42/684287742.db2.gz SPSHLHNDFLZJJY-GXTWGEPZSA-N 1 2 359.220 2.329 20 5 FEBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925251898 684544513 /nfs/dbraw/zinc/54/45/13/684544513.db2.gz GUONOWFJTOJUCP-UKRRQHHQSA-N 1 2 350.419 2.066 20 5 FEBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925251898 684544516 /nfs/dbraw/zinc/54/45/16/684544516.db2.gz GUONOWFJTOJUCP-UKRRQHHQSA-N 1 2 350.419 2.066 20 5 FEBDLO C[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872046968 684917075 /nfs/dbraw/zinc/91/70/75/684917075.db2.gz AJHLUVMGYDXTMC-BXUZGUMPSA-N 1 2 351.378 2.164 20 5 FEBDLO Cn1c[nH+]cc1CCS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000899481606 690362777 /nfs/dbraw/zinc/36/27/77/690362777.db2.gz WSSISWSKEDMHKB-UHFFFAOYSA-N 1 2 374.216 2.107 20 5 FEBDLO