smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000032100969 523876361 /nfs/dbraw/zinc/87/63/61/523876361.db2.gz LOLATABBDBZXET-KRWDZBQOSA-N 0 0 409.320 3.105 40 5 HGBBRN Cc1ccc(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000032640711 524933032 /nfs/dbraw/zinc/93/30/32/524933032.db2.gz GFTTYJGTCKASPW-QZTJIDSGSA-N 0 0 417.512 3.178 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000019868863 526083418 /nfs/dbraw/zinc/08/34/18/526083418.db2.gz WFYLKWFQJSZDCS-ZDUSSCGKSA-N 0 0 409.489 3.004 40 5 HGBBRN Cc1nnc2sc(-c3ccc(C)c(NC(=O)COc4ccccc4[N+](=O)[O-])c3)nn12 ZINC000032127680 526422417 /nfs/dbraw/zinc/42/24/17/526422417.db2.gz SBIGMCGUGWNTDF-UHFFFAOYSA-N 0 0 424.442 3.395 40 5 HGBBRN O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)Nc1cccc([N+](=O)[O-])c1 ZINC000020063160 526826197 /nfs/dbraw/zinc/82/61/97/526826197.db2.gz IIESKDIUAHVFOX-UHFFFAOYSA-N 0 0 409.423 3.409 40 5 HGBBRN COc1cccc(OC)c1C(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000006954646 537129678 /nfs/dbraw/zinc/12/96/78/537129678.db2.gz YBBJOXUGGSZVHW-UHFFFAOYSA-N 0 0 405.838 3.228 40 5 HGBBRN Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@@H]4C3=O)cc2)c([N+](=O)[O-])c1 ZINC000004545064 558661987 /nfs/dbraw/zinc/66/19/87/558661987.db2.gz IJXXDVRLNLZFCY-VZJWBNGJSA-N 0 0 417.421 3.467 40 5 HGBBRN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714614 558857885 /nfs/dbraw/zinc/85/78/85/558857885.db2.gz FOIHNAKMNXQJND-INIZCTEOSA-N 0 0 411.867 3.432 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1ccccc1Cl)S(C)(=O)=O ZINC000220379550 559065989 /nfs/dbraw/zinc/06/59/89/559065989.db2.gz OAYJUSSCHCHPPY-GFCCVEGCSA-N 0 0 411.867 3.350 40 5 HGBBRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000014413372 559165600 /nfs/dbraw/zinc/16/56/00/559165600.db2.gz PXMOMPPROVQVQC-UHFFFAOYSA-N 0 0 417.487 3.341 40 5 HGBBRN CCCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000014665152 559171836 /nfs/dbraw/zinc/17/18/36/559171836.db2.gz BACGWAXLMHNYDR-UHFFFAOYSA-N 0 0 413.430 3.251 40 5 HGBBRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220509544 559172609 /nfs/dbraw/zinc/17/26/09/559172609.db2.gz OSZINQMQKXJZBO-QGZVFWFLSA-N 0 0 405.476 3.395 40 5 HGBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)c([N+](=O)[O-])c1 ZINC000408571483 559219295 /nfs/dbraw/zinc/21/92/95/559219295.db2.gz CJNKUJCCFUOWRP-UHFFFAOYSA-N 0 0 411.458 3.351 40 5 HGBBRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])c(F)c1F ZINC000408626570 559222062 /nfs/dbraw/zinc/22/20/62/559222062.db2.gz IDTAVKJGGZRPSY-UHFFFAOYSA-N 0 0 403.313 3.287 40 5 HGBBRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)c(F)c1F ZINC000408627730 559222101 /nfs/dbraw/zinc/22/21/01/559222101.db2.gz NHHORWNNZWHJES-UHFFFAOYSA-N 0 0 403.313 3.287 40 5 HGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc3cccnc32)CC1=O ZINC000408667131 559223646 /nfs/dbraw/zinc/22/36/46/559223646.db2.gz QFDSXLKNFZKSFU-CQSZACIVSA-N 0 0 407.382 3.110 40 5 HGBBRN O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)N1CCc2ccccc2C1 ZINC000409357930 559248357 /nfs/dbraw/zinc/24/83/57/559248357.db2.gz SBWZFPDJPAPJDA-WOJGMQOQSA-N 0 0 423.450 3.216 40 5 HGBBRN COc1cc(CNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)ccc1OC(C)C ZINC000219824550 568498810 /nfs/dbraw/zinc/49/88/10/568498810.db2.gz MZKFBZAVWIKURP-UHFFFAOYSA-N 0 0 404.419 3.094 40 5 HGBBRN CSc1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000220030693 568501371 /nfs/dbraw/zinc/50/13/71/568501371.db2.gz SLLMUROQVFFELI-UHFFFAOYSA-N 0 0 409.489 3.030 40 5 HGBBRN Cc1ccc([C@@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000222367183 568751262 /nfs/dbraw/zinc/75/12/62/568751262.db2.gz NPYRSACVMMZCDR-MRXNPFEDSA-N 0 0 419.503 3.327 40 5 HGBBRN CC[C@H](C(=O)Nc1c(C)cccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222513559 568761311 /nfs/dbraw/zinc/76/13/11/568761311.db2.gz OOHZYDWFQZKEKT-QGZVFWFLSA-N 0 0 405.476 3.395 40 5 HGBBRN CC[C@@H](C(=O)N[C@H](C)c1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222518687 568761494 /nfs/dbraw/zinc/76/14/94/568761494.db2.gz JOFZSVQUSGKOLX-KDOFPFPSSA-N 0 0 405.476 3.017 40 5 HGBBRN CC[C@H](C(=O)Nc1ccccc1OC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222533542 568762760 /nfs/dbraw/zinc/76/27/60/568762760.db2.gz UAQHAHIUVREKTN-MRXNPFEDSA-N 0 0 421.475 3.095 40 5 HGBBRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cc3[N+](=O)[O-])C2)cc1 ZINC000022258765 568765956 /nfs/dbraw/zinc/76/59/56/568765956.db2.gz XDDYVVKQIZZCGZ-INIZCTEOSA-N 0 0 417.487 3.251 40 5 HGBBRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000261363194 568819351 /nfs/dbraw/zinc/81/93/51/568819351.db2.gz PULISKDJCLRABC-IBGZPJMESA-O 0 0 424.462 3.070 40 5 HGBBRN O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)Nc1ccc(Br)cc1 ZINC000005899041 568828404 /nfs/dbraw/zinc/82/84/04/568828404.db2.gz QYHWZSRSMPPRIG-UHFFFAOYSA-N 0 0 410.249 3.249 40 5 HGBBRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223154397 568916003 /nfs/dbraw/zinc/91/60/03/568916003.db2.gz HZXFWFZSZDWRIN-QGZVFWFLSA-N 0 0 403.866 3.344 40 5 HGBBRN COc1ccc(CNC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(OC)c1OC ZINC000218048358 568924618 /nfs/dbraw/zinc/92/46/18/568924618.db2.gz DGRGUZIWMJCVNI-UHFFFAOYSA-N 0 0 406.460 3.170 40 5 HGBBRN O=C(Cc1ccccc1[N+](=O)[O-])NCc1nc(-c2cccc(Br)c2)no1 ZINC000218162468 568926887 /nfs/dbraw/zinc/92/68/87/568926887.db2.gz LRWLSRUCJKBJOH-UHFFFAOYSA-N 0 0 417.219 3.266 40 5 HGBBRN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000059200730 568945462 /nfs/dbraw/zinc/94/54/62/568945462.db2.gz HYCRMEHEPCRLPP-UHFFFAOYSA-N 0 0 414.399 3.162 40 5 HGBBRN O=C(Oc1cccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000004195734 568950271 /nfs/dbraw/zinc/95/02/71/568950271.db2.gz GJCVLNBCDWBENC-SLDRDFCHSA-N 0 0 406.394 3.350 40 5 HGBBRN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000015638333 568957262 /nfs/dbraw/zinc/95/72/62/568957262.db2.gz HJRXWXDWXLYZSW-ZDUSSCGKSA-N 0 0 403.822 3.409 40 5 HGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000008286284 568987456 /nfs/dbraw/zinc/98/74/56/568987456.db2.gz VHXRYBVWOSWKAA-UHFFFAOYSA-N 0 0 409.851 3.285 40 5 HGBBRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223685944 569031081 /nfs/dbraw/zinc/03/10/81/569031081.db2.gz PVPUFNBLYNDNDI-CQSZACIVSA-N 0 0 403.866 3.344 40 5 HGBBRN CN(Cc1nc(-c2ccccc2Cl)no1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000223769981 569031535 /nfs/dbraw/zinc/03/15/35/569031535.db2.gz FBBPWEXOPZPGJW-UHFFFAOYSA-N 0 0 408.823 3.119 40 5 HGBBRN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000006271425 569036583 /nfs/dbraw/zinc/03/65/83/569036583.db2.gz WLKBJLXSOJWEAU-UHFFFAOYSA-N 0 0 403.460 3.330 40 5 HGBBRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000006392044 569046429 /nfs/dbraw/zinc/04/64/29/569046429.db2.gz XXXSDVQMSBTLBN-UHFFFAOYSA-N 0 0 406.782 3.245 40 5 HGBBRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000017087501 569273087 /nfs/dbraw/zinc/27/30/87/569273087.db2.gz LOSLKAWMHSPDOT-UHFFFAOYSA-N 0 0 406.782 3.245 40 5 HGBBRN COc1ccc(C(=O)NC(=S)Nc2nc3ccc(O)cc3s2)cc1[N+](=O)[O-] ZINC000017082834 569273132 /nfs/dbraw/zinc/27/31/32/569273132.db2.gz CVDVAUZLOTWQTK-UHFFFAOYSA-N 0 0 404.429 3.046 40 5 HGBBRN CCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(O)cc3s2)cc1[N+](=O)[O-] ZINC000017091403 569274081 /nfs/dbraw/zinc/27/40/81/569274081.db2.gz WAVFOAJLRBTZIX-UHFFFAOYSA-N 0 0 418.456 3.436 40 5 HGBBRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007759030 569306788 /nfs/dbraw/zinc/30/67/88/569306788.db2.gz MWHSCCFWVVVQSC-UHFFFAOYSA-N 0 0 408.823 3.119 40 5 HGBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000006526758 569333259 /nfs/dbraw/zinc/33/32/59/569333259.db2.gz HKHOZOXYMXBHSB-OALUTQOASA-N 0 0 406.394 3.407 40 5 HGBBRN CC(C)OC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000007882604 569338330 /nfs/dbraw/zinc/33/83/30/569338330.db2.gz CODOFUNVVGHOBC-HNNXBMFYSA-N 0 0 411.414 3.152 40 5 HGBBRN Cc1c(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000008330968 569340009 /nfs/dbraw/zinc/34/00/09/569340009.db2.gz MZGGXZBMZPPELN-UHFFFAOYSA-N 0 0 405.476 3.431 40 5 HGBBRN Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000008414560 569340474 /nfs/dbraw/zinc/34/04/74/569340474.db2.gz LWZSHDAMDILCDL-UHFFFAOYSA-N 0 0 413.430 3.421 40 5 HGBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)CCCC1=O ZINC000008475257 569341276 /nfs/dbraw/zinc/34/12/76/569341276.db2.gz YWOURZNRPQYFAC-UHFFFAOYSA-N 0 0 401.806 3.345 40 5 HGBBRN O=C(Cn1ccc(=O)c2cc(Br)ccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000225729571 569367115 /nfs/dbraw/zinc/36/71/15/569367115.db2.gz QUFXAZQZTMYKOE-UHFFFAOYSA-N 0 0 402.204 3.311 40 5 HGBBRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000225390487 569392620 /nfs/dbraw/zinc/39/26/20/569392620.db2.gz ADCZCEHOEALCBU-SFHVURJKSA-N 0 0 421.475 3.095 40 5 HGBBRN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000010010428 569394926 /nfs/dbraw/zinc/39/49/26/569394926.db2.gz IVESITUSUTYCRH-UHFFFAOYSA-N 0 0 416.865 3.477 40 5 HGBBRN CC[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260504466 569407362 /nfs/dbraw/zinc/40/73/62/569407362.db2.gz ILTQQVXZOARZIB-ACJLOTCBSA-N 0 0 423.466 3.156 40 5 HGBBRN CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(C(F)(F)F)n1 ZINC000329017861 569423566 /nfs/dbraw/zinc/42/35/66/569423566.db2.gz NNGPJTDQCGYCGT-NSHDSACASA-N 0 0 419.791 3.073 40 5 HGBBRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2cccnc2)n1 ZINC000328965514 571306253 /nfs/dbraw/zinc/30/62/53/571306253.db2.gz CDIGZTOOMCGJOG-KRWDZBQOSA-N 0 0 412.425 3.758 40 5 HGBBRN COc1ccc(Nc2cc(-c3ccncc3)nc(N[C@@H](CO)C(C)C)n2)c([N+](=O)[O-])c1 ZINC000329048261 571309283 /nfs/dbraw/zinc/30/92/83/571309283.db2.gz UIPXHJBCHHJJJM-SFHVURJKSA-N 0 0 424.461 3.628 40 5 HGBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000005099727 132301307 /nfs/dbraw/zinc/30/13/07/132301307.db2.gz OQZMAEPSJXSQJF-UHFFFAOYSA-N 0 0 409.851 3.431 40 5 HGBBRN O=C(COc1ccccc1[N+](=O)[O-])Nc1nc2ccc(N3CCOCC3)cc2s1 ZINC000006423101 132311085 /nfs/dbraw/zinc/31/10/85/132311085.db2.gz ZFJREQSFYNWUDU-UHFFFAOYSA-N 0 0 414.443 3.059 40 5 HGBBRN Cc1cc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000006964075 132321785 /nfs/dbraw/zinc/32/17/85/132321785.db2.gz UZPHENYBXZPVEO-UHFFFAOYSA-N 0 0 404.810 3.427 40 5 HGBBRN CCOCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cn1 ZINC000225872515 520040164 /nfs/dbraw/zinc/04/01/64/520040164.db2.gz SXVYUKHBOJXOGD-UHFFFAOYSA-N 0 0 415.446 3.092 40 5 HGBBRN CCCCCn1ccc2nc3ccn(-c4nc(SCC)n[nH]4)c(=O)c3cc2c1=O ZINC000040398902 520332908 /nfs/dbraw/zinc/33/29/08/520332908.db2.gz NNWHRRPUSGQMFS-UHFFFAOYSA-N 0 0 410.503 3.121 40 5 HGBBRN COc1ccc(C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)[C@](O)(C(F)(F)F)C2)cc1 ZINC000032100977 523876284 /nfs/dbraw/zinc/87/62/84/523876284.db2.gz HCOAMZJPGMMUEF-QGZVFWFLSA-N 0 0 409.320 3.105 40 5 HGBBRN CSc1n[nH]c(-n2ccc3nc4ccn([C@H]5CCCC[C@H]5C)c(=O)c4cc3c2=O)n1 ZINC000040398863 526206263 /nfs/dbraw/zinc/20/62/63/526206263.db2.gz DIVOGUQDRRZMQA-PXAZEXFGSA-N 0 0 422.514 3.292 40 5 HGBBRN COc1ccc(-c2ccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)nn2)cc1OC ZINC000408533099 557316099 /nfs/dbraw/zinc/31/60/99/557316099.db2.gz PTFVBIBZQOQRRJ-UHFFFAOYSA-N 0 0 411.370 3.297 40 5 HGBBRN O=c1/c(=C/c2ccc(Br)c([N+](=O)[O-])c2)sc2nc3ccccc3n12 ZINC000013575074 558843997 /nfs/dbraw/zinc/84/39/97/558843997.db2.gz MVZFZQOAEKQMGT-ZSOIEALJSA-N 0 0 402.229 3.128 40 5 HGBBRN C[C@H]1CCCN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)C1 ZINC000013669763 558853235 /nfs/dbraw/zinc/85/32/35/558853235.db2.gz SLXIPQFSAODOFQ-INIZCTEOSA-N 0 0 417.487 3.049 40 5 HGBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715731 558857904 /nfs/dbraw/zinc/85/79/04/558857904.db2.gz XLAJFHKUAHZTFV-KRWDZBQOSA-N 0 0 409.439 3.226 40 5 HGBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713685 558857944 /nfs/dbraw/zinc/85/79/44/558857944.db2.gz PSPLRYHHXKCTBK-GOSISDBHSA-N 0 0 405.476 3.395 40 5 HGBBRN Cc1ccc(C)c([C@@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000022374742 558988412 /nfs/dbraw/zinc/98/84/12/558988412.db2.gz JCEZHLQATPGGEW-MRXNPFEDSA-N 0 0 419.503 3.163 40 5 HGBBRN Cc1ccc([C@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C ZINC000022375280 558988414 /nfs/dbraw/zinc/98/84/14/558988414.db2.gz SLAPJPFDOGKKOV-INIZCTEOSA-N 0 0 419.503 3.163 40 5 HGBBRN CCc1ccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000220276308 559023732 /nfs/dbraw/zinc/02/37/32/559023732.db2.gz HMLORCVPNLPNHX-AWEZNQCLSA-N 0 0 405.476 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ZINC000015411297 568885449 /nfs/dbraw/zinc/88/54/49/568885449.db2.gz VAKBVKLOPIAUDM-UHFFFAOYSA-N 0 0 409.489 3.004 40 5 HGBBRN CC1CCN(c2ccc(C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)cc2[N+](=O)[O-])CC1 ZINC000016016939 569025555 /nfs/dbraw/zinc/02/55/55/569025555.db2.gz QZVDQTRDAFGYST-UHFFFAOYSA-N 0 0 422.441 3.309 40 5 HGBBRN COC(=O)C(C(=O)OC)[C@H](C[N+](=O)[O-])c1ccc(OCc2ccccc2Cl)cc1 ZINC000016189605 569029695 /nfs/dbraw/zinc/02/96/95/569029695.db2.gz ISIHMKSZODVJCQ-MRXNPFEDSA-N 0 0 421.833 3.242 40 5 HGBBRN COc1ccc(-n2cccc2/C=C2/NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000016226424 569029988 /nfs/dbraw/zinc/02/99/88/569029988.db2.gz WUSCZFOKVXYIFL-DEDYPNTBSA-N 0 0 418.409 3.487 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000223596433 569030619 /nfs/dbraw/zinc/03/06/19/569030619.db2.gz YRAHTVAIVFHYLV-UHFFFAOYSA-N 0 0 408.823 3.085 40 5 HGBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCO)o2)c1 ZINC000223600850 569030632 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ZINC000220338779 559062178 /nfs/dbraw/zinc/06/21/78/559062178.db2.gz AKGOGRYHNLYVIE-AWEZNQCLSA-N 0 0 421.475 3.013 40 5 HGBBRN COc1ccc(C)cc1N([C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000220338456 559062183 /nfs/dbraw/zinc/06/21/83/559062183.db2.gz UWIRPDDHQFPVSM-AWEZNQCLSA-N 0 0 421.475 3.013 40 5 HGBBRN Cc1ccc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C ZINC000220378964 559065901 /nfs/dbraw/zinc/06/59/01/559065901.db2.gz CTPODZLWODJNGD-OAHLLOKOSA-N 0 0 405.476 3.313 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1ccc(Cl)cc1)S(C)(=O)=O ZINC000220379806 559065993 /nfs/dbraw/zinc/06/59/93/559065993.db2.gz LREWHNFMLWIICZ-LBPRGKRZSA-N 0 0 411.867 3.350 40 5 HGBBRN Cc1c(Cl)cccc1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220406883 559074130 /nfs/dbraw/zinc/07/41/30/559074130.db2.gz RUVWRAJWVDGVDL-LBPRGKRZSA-N 0 0 411.867 3.350 40 5 HGBBRN CC(C)Oc1cccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000220413182 559076749 /nfs/dbraw/zinc/07/67/49/559076749.db2.gz GBEKWQBPTAWOEX-CQSZACIVSA-N 0 0 421.475 3.175 40 5 HGBBRN CC[C@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000220421753 559078649 /nfs/dbraw/zinc/07/86/49/559078649.db2.gz ZVGJRARDNGKUAZ-KXBFYZLASA-N 0 0 419.503 3.325 40 5 HGBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccccc1F)S(C)(=O)=O ZINC000220596021 559173942 /nfs/dbraw/zinc/17/39/42/559173942.db2.gz MNLXAVNMQAMHAX-INIZCTEOSA-N 0 0 409.439 3.226 40 5 HGBBRN Cn1c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)c(N3CCCCC3)cc2n(C)c1=O ZINC000408533162 559216708 /nfs/dbraw/zinc/21/67/08/559216708.db2.gz OEGBPSKZNASYBU-UHFFFAOYSA-N 0 0 409.446 3.028 40 5 HGBBRN COc1ccc(OC)c(-c2ccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)nn2)c1 ZINC000408532668 559216737 /nfs/dbraw/zinc/21/67/37/559216737.db2.gz ONGQWFVVHTXAEI-UHFFFAOYSA-N 0 0 411.370 3.297 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 ZINC000408561991 559218288 /nfs/dbraw/zinc/21/82/88/559218288.db2.gz MMLZJYJIDLIYHB-UHFFFAOYSA-N 0 0 404.448 3.332 40 5 HGBBRN COc1ccc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1Cl ZINC000408569427 559218406 /nfs/dbraw/zinc/21/84/06/559218406.db2.gz WTRRYCKQJQRFBX-HKJQZYRSSA-N 0 0 413.861 3.403 40 5 HGBBRN COCCCNC(=O)c1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000408575438 559219305 /nfs/dbraw/zinc/21/93/05/559219305.db2.gz LGBWRYPMUIRGPH-UHFFFAOYSA-N 0 0 417.487 3.233 40 5 HGBBRN CC(=O)Nc1cccc(-c2nc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n[nH]2)c1 ZINC000408638283 559222700 /nfs/dbraw/zinc/22/27/00/559222700.db2.gz QTAAPDMGLNKVFH-UHFFFAOYSA-N 0 0 400.376 3.398 40 5 HGBBRN CC(C)COC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000408643488 559223127 /nfs/dbraw/zinc/22/31/27/559223127.db2.gz BHGYDNXAEQXJOJ-UHFFFAOYSA-N 0 0 400.387 3.203 40 5 HGBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000408688639 559224647 /nfs/dbraw/zinc/22/46/47/559224647.db2.gz WKQSJYZGMZKZBS-KDURUIRLSA-N 0 0 405.410 3.103 40 5 HGBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000408682140 559224689 /nfs/dbraw/zinc/22/46/89/559224689.db2.gz JAINSYHYUMBMNJ-CALCHBBNSA-N 0 0 405.410 3.103 40 5 HGBBRN COc1ccc(-c2nnc(CN(C)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)o2)cc1OC ZINC000408714146 559225041 /nfs/dbraw/zinc/22/50/41/559225041.db2.gz JREIRGQZFIDZKT-IZZDOVSWSA-N 0 0 424.413 3.334 40 5 HGBBRN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CSCN1C(=O)OCc1ccccc1 ZINC000408736361 559225787 /nfs/dbraw/zinc/22/57/87/559225787.db2.gz BCPNOIDJSFXALY-MRXNPFEDSA-N 0 0 405.407 3.384 40 5 HGBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)cc1 ZINC000409106888 559240801 /nfs/dbraw/zinc/24/08/01/559240801.db2.gz NJGQNXZASDNJJE-NTEUORMPSA-N 0 0 417.399 3.262 40 5 HGBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000409176100 559243683 /nfs/dbraw/zinc/24/36/83/559243683.db2.gz HKHOZOXYMXBHSB-KDURUIRLSA-N 0 0 406.394 3.407 40 5 HGBBRN O=C(COC(=O)c1ccc(Cn2nnc3ccccc32)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000409183852 559243793 /nfs/dbraw/zinc/24/37/93/559243793.db2.gz UEXJXKSBNUPBHV-UHFFFAOYSA-N 0 0 416.393 3.428 40 5 HGBBRN COC(=O)C[C@@H](C)C(=O)c1ccc(NC(=O)c2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000034168678 560584358 /nfs/dbraw/zinc/58/43/58/560584358.db2.gz BVRUHPOPLACNJO-GFCCVEGCSA-N 0 0 400.387 3.238 40 5 HGBBRN Cc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1[N+](=O)[O-] ZINC000008974092 560771683 /nfs/dbraw/zinc/77/16/83/560771683.db2.gz ZBBMWVRPONUIEZ-UHFFFAOYSA-N 0 0 418.212 3.309 40 5 HGBBRN CCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)N[C@H](C)c1ccccc1 ZINC000020051756 560880292 /nfs/dbraw/zinc/88/02/92/560880292.db2.gz GYWPFQVYUVZJTA-OAHLLOKOSA-N 0 0 401.470 3.474 40 5 HGBBRN CCOc1ccc([C@@H](N)c2nc(COc3ccc([N+](=O)[O-])cc3)n[nH]2)cc1OCC ZINC000095534561 568635662 /nfs/dbraw/zinc/63/56/62/568635662.db2.gz YCWQUPWIOMDKCN-LJQANCHMSA-N 0 0 413.434 3.137 40 5 HGBBRN CCOC(=O)[C@@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1 ZINC000000898378 568740811 /nfs/dbraw/zinc/74/08/11/568740811.db2.gz ZRZFFVAKWKTLLS-IUODEOHRSA-N 0 0 406.464 3.076 40 5 HGBBRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222445396 568758848 /nfs/dbraw/zinc/75/88/48/568758848.db2.gz BXVNURISDBIZQH-MRXNPFEDSA-N 0 0 415.515 3.300 40 5 HGBBRN CCc1ccccc1NC(=O)[C@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222513987 568761360 /nfs/dbraw/zinc/76/13/60/568761360.db2.gz KWJGIBCHCBSAMW-SFHVURJKSA-N 0 0 405.476 3.341 40 5 HGBBRN CC[C@H](C(=O)N1CCc2ccccc21)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222540565 568763164 /nfs/dbraw/zinc/76/31/64/568763164.db2.gz OMGIACULOOMAHT-QGZVFWFLSA-N 0 0 417.487 3.037 40 5 HGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O ZINC000022391068 568767155 /nfs/dbraw/zinc/76/71/55/568767155.db2.gz VBIURQFKTYAARY-UHFFFAOYSA-N 0 0 421.475 3.132 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(OC(C)C)cc1)S(C)(=O)=O ZINC000022392871 568767173 /nfs/dbraw/zinc/76/71/73/568767173.db2.gz BVQHPIJAOPTDMZ-UHFFFAOYSA-N 0 0 421.475 3.095 40 5 HGBBRN COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000057333385 568827147 /nfs/dbraw/zinc/82/71/47/568827147.db2.gz UQVMNVJEPMIIIJ-UHFFFAOYSA-N 0 0 419.821 3.124 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000015410480 568885602 /nfs/dbraw/zinc/88/56/02/568885602.db2.gz QTVURODXYGAQNU-UHFFFAOYSA-N 0 0 421.450 3.082 40 5 HGBBRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000003383609 568892558 /nfs/dbraw/zinc/89/25/58/568892558.db2.gz JCUYOWDTUZJSHQ-UHFFFAOYSA-N 0 0 400.387 3.347 40 5 HGBBRN CCOc1ccc(CCCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1OC ZINC000030851002 568896401 /nfs/dbraw/zinc/89/64/01/568896401.db2.gz YYDOBHMZINZJAB-UHFFFAOYSA-N 0 0 408.476 3.054 40 5 HGBBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000223023387 568909459 /nfs/dbraw/zinc/90/94/59/568909459.db2.gz GXYRHYCGFPYGKZ-WOJBJXKFSA-N 0 0 423.498 3.399 40 5 HGBBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000223023470 568909471 /nfs/dbraw/zinc/90/94/71/568909471.db2.gz IVICGKPXEDNDCX-PMACEKPBSA-N 0 0 423.498 3.399 40 5 HGBBRN COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)c(OC)c1 ZINC000217898153 568918415 /nfs/dbraw/zinc/91/84/15/568918415.db2.gz NFOHPYVWKJKXEJ-IZZDOVSWSA-N 0 0 424.413 3.334 40 5 HGBBRN Cc1cc(C)c([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C ZINC000223419614 569003112 /nfs/dbraw/zinc/00/31/12/569003112.db2.gz BMHLUXDRJQRCFU-INIZCTEOSA-N 0 0 419.503 3.163 40 5 HGBBRN CN(Cc1nc(-c2cccc(Cl)c2)no1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000223581505 569030549 /nfs/dbraw/zinc/03/05/49/569030549.db2.gz GREHHGRPOYZLSJ-UHFFFAOYSA-N 0 0 408.823 3.119 40 5 HGBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1 ZINC000223628160 569030611 /nfs/dbraw/zinc/03/06/11/569030611.db2.gz XVTFZSUAVXWYDZ-WOJBJXKFSA-N 0 0 423.498 3.135 40 5 HGBBRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223685999 569031087 /nfs/dbraw/zinc/03/10/87/569031087.db2.gz PVPUFNBLYNDNDI-AWEZNQCLSA-N 0 0 403.866 3.344 40 5 HGBBRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223729462 569031438 /nfs/dbraw/zinc/03/14/38/569031438.db2.gz NWXRDBMJEUOENP-AWEZNQCLSA-N 0 0 403.866 3.344 40 5 HGBBRN O=C(Nc1cc2[nH]c(=O)[nH]c2cc1Br)c1cc([N+](=O)[O-])ccc1Cl ZINC000324699204 569041212 /nfs/dbraw/zinc/04/12/12/569041212.db2.gz XHTRMXPBEJRUDS-UHFFFAOYSA-N 0 0 411.599 3.433 40 5 HGBBRN CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224486567 569061689 /nfs/dbraw/zinc/06/16/89/569061689.db2.gz OSWNDHQHVCYKFU-SFHVURJKSA-N 0 0 411.502 3.369 40 5 HGBBRN Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000006966941 569190824 /nfs/dbraw/zinc/19/08/24/569190824.db2.gz WKNZHHWFCQKWRW-UHFFFAOYSA-N 0 0 404.810 3.427 40 5 HGBBRN Cc1c(N(CCCC(=O)NCC2=CCCCC2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000224860790 569293342 /nfs/dbraw/zinc/29/33/42/569293342.db2.gz APOHSMSHKNVWDU-UHFFFAOYSA-N 0 0 409.508 3.066 40 5 HGBBRN CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224980069 569313302 /nfs/dbraw/zinc/31/33/02/569313302.db2.gz GWDKSWHYSLKOCF-INIZCTEOSA-N 0 0 413.474 3.089 40 5 HGBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225010758 569323377 /nfs/dbraw/zinc/32/33/77/569323377.db2.gz QTOAUHFUMSKQBN-INIZCTEOSA-N 0 0 413.474 3.089 40 5 HGBBRN Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000008414332 569340499 /nfs/dbraw/zinc/34/04/99/569340499.db2.gz FPGUGLKXTZCBQH-UHFFFAOYSA-N 0 0 413.430 3.421 40 5 HGBBRN C[C@H](NC(=O)COC(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000008417250 569340677 /nfs/dbraw/zinc/34/06/77/569340677.db2.gz JHOZXAQJLIJUGZ-HNNXBMFYSA-N 0 0 413.430 3.124 40 5 HGBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000008475219 569341241 /nfs/dbraw/zinc/34/12/41/569341241.db2.gz NUCJFJPHBUIVCD-IAGOWNOFSA-N 0 0 407.426 3.327 40 5 HGBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1ccco1 ZINC000008620545 569341857 /nfs/dbraw/zinc/34/18/57/569341857.db2.gz ZJWXQYSDTKORSN-UHFFFAOYSA-N 0 0 403.420 3.206 40 5 HGBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000015396861 569345021 /nfs/dbraw/zinc/34/50/21/569345021.db2.gz CWPOCEUQWYTNCO-UHFFFAOYSA-N 0 0 411.439 3.429 40 5 HGBBRN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000008902353 569390824 /nfs/dbraw/zinc/39/08/24/569390824.db2.gz ACOBRSHPMMJTDM-UHFFFAOYSA-N 0 0 406.236 3.446 40 5 HGBBRN COC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000113883997 569393387 /nfs/dbraw/zinc/39/33/87/569393387.db2.gz JNLAKJBOOGOQPE-UHFFFAOYSA-N 0 0 419.242 3.270 40 5 HGBBRN O=C(OCc1c([N+](=O)[O-])cccc1[N+](=O)[O-])OCc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000068568750 569399633 /nfs/dbraw/zinc/39/96/33/569399633.db2.gz PAVPPCCZZVTAEF-UHFFFAOYSA-N 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CCc1ccccc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O ZINC000218245183 568836961 /nfs/dbraw/zinc/83/69/61/568836961.db2.gz QGJNEXHZAQQEEH-UHFFFAOYSA-N 0 0 411.867 3.215 40 5 HGBBRN O=C(Cc1cccs1)N[C@@H]1CCCC[C@@]12CN(Cc1ccc([N+](=O)[O-])o1)CCO2 ZINC000306129875 568900557 /nfs/dbraw/zinc/90/05/57/568900557.db2.gz IPFWVSZVAQDAFU-YLJYHZDGSA-N 0 0 419.503 3.122 40 5 HGBBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000223023189 568909483 /nfs/dbraw/zinc/90/94/83/568909483.db2.gz GXYRHYCGFPYGKZ-PMACEKPBSA-N 0 0 423.498 3.399 40 5 HGBBRN COc1cccc(-c2noc(CNC(=O)CSCc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000218053184 568924925 /nfs/dbraw/zinc/92/49/25/568924925.db2.gz YOMZHCQJVVQRHT-UHFFFAOYSA-N 0 0 414.443 3.203 40 5 HGBBRN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1C(=O)NCC(C)C ZINC000223259356 568929741 /nfs/dbraw/zinc/92/97/41/568929741.db2.gz ICALWUKRKRVNEX-UHFFFAOYSA-N 0 0 405.476 3.398 40 5 HGBBRN Cc1c(NC(=O)CN(c2cccc3ccccc32)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000008331010 568993114 /nfs/dbraw/zinc/99/31/14/568993114.db2.gz IRKLLLCBEDOTRJ-UHFFFAOYSA-N 0 0 413.455 3.461 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000223772405 569031589 /nfs/dbraw/zinc/03/15/89/569031589.db2.gz OEUSEBHZBWPSSU-UHFFFAOYSA-N 0 0 422.850 3.427 40 5 HGBBRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223846011 569031857 /nfs/dbraw/zinc/03/18/57/569031857.db2.gz UXQNCTKXIHOACR-HNNXBMFYSA-N 0 0 401.438 3.220 40 5 HGBBRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000223867658 569031978 /nfs/dbraw/zinc/03/19/78/569031978.db2.gz ULJYBBJKFVYPEV-SFHVURJKSA-N 0 0 421.475 3.095 40 5 HGBBRN CCC(=O)N1CCN(c2ccccc2NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000006245833 569034514 /nfs/dbraw/zinc/03/45/14/569034514.db2.gz VNRLDTGPNHYHRW-ZHACJKMWSA-N 0 0 408.458 3.305 40 5 HGBBRN COCCCNC(=O)COc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13 ZINC000006624380 569061125 /nfs/dbraw/zinc/06/11/25/569061125.db2.gz UNMCGTYZXLFOFP-UHFFFAOYSA-N 0 0 415.449 3.123 40 5 biogenic HGBBRN CSC1=NN2[C@H](c3cc([N+](=O)[O-])ccc3Cl)Nc3ccccc3[C@@H]2C(=O)N1 ZINC000588229138 569246231 /nfs/dbraw/zinc/24/62/31/569246231.db2.gz HRCAWCIFOWQFOI-HUUCEWRRSA-N 0 0 403.851 3.479 40 5 HGBBRN O=C(NC(=S)Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017092462 569274613 /nfs/dbraw/zinc/27/46/13/569274613.db2.gz IZQXFQMLTBRANW-UHFFFAOYSA-N 0 0 420.878 3.212 40 5 HGBBRN CCOC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224770732 569288903 /nfs/dbraw/zinc/28/89/03/569288903.db2.gz OAQOUHOVIRWMFG-UHFFFAOYSA-N 0 0 422.459 3.060 40 5 HGBBRN COC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224779313 569289072 /nfs/dbraw/zinc/28/90/72/569289072.db2.gz BKUQEBMXZRIYJQ-UHFFFAOYSA-N 0 0 412.851 3.233 40 5 HGBBRN COC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225025329 569323710 /nfs/dbraw/zinc/32/37/10/569323710.db2.gz KTWBAHVEVLMYSA-UHFFFAOYSA-N 0 0 419.242 3.270 40 5 HGBBRN O=C(Cc1ccccc1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000006269552 569330271 /nfs/dbraw/zinc/33/02/71/569330271.db2.gz OKWOTLKACHNJOX-UHFFFAOYSA-N 0 0 418.906 3.014 40 5 HGBBRN Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000008433721 569340879 /nfs/dbraw/zinc/34/08/79/569340879.db2.gz CLBJHGHQINBNNO-UHFFFAOYSA-N 0 0 413.430 3.421 40 5 HGBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)CCCC1=O ZINC000008475259 569341265 /nfs/dbraw/zinc/34/12/65/569341265.db2.gz REYKZZLPSLGXAJ-UHFFFAOYSA-N 0 0 401.806 3.345 40 5 HGBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000008475201 569341279 /nfs/dbraw/zinc/34/12/79/569341279.db2.gz WKQSJYZGMZKZBS-RTBURBONSA-N 0 0 405.410 3.103 40 5 HGBBRN CCOC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113883031 569393351 /nfs/dbraw/zinc/39/33/51/569393351.db2.gz LZJCYSRPEMRIQN-UHFFFAOYSA-N 0 0 406.460 3.278 40 5 HGBBRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000009541850 569393419 /nfs/dbraw/zinc/39/34/19/569393419.db2.gz FFCOWQNHDLPOAC-UHFFFAOYSA-N 0 0 413.415 3.075 40 5 HGBBRN CC[C@@H](C(=O)N[C@H](C)c1ccc(C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260504095 569407315 /nfs/dbraw/zinc/40/73/15/569407315.db2.gz CTNHXFIOXZMAMI-BEFAXECRSA-N 0 0 419.503 3.325 40 5 HGBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000019162986 569414206 /nfs/dbraw/zinc/41/42/06/569414206.db2.gz VOGRWLBOGNOUFU-UHFFFAOYSA-N 0 0 423.878 3.288 40 5 HGBBRN CC[C@@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)cc1 ZINC000044849135 522683389 /nfs/dbraw/zinc/68/33/89/522683389.db2.gz BINWXWOHCJIYOK-GOSISDBHSA-N 0 0 419.503 3.245 40 5 HGBBRN O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000020142698 527308683 /nfs/dbraw/zinc/30/86/83/527308683.db2.gz YEAIGWLTOBQLAN-UHFFFAOYSA-N 0 0 423.425 3.436 40 5 HGBBRN Cc1c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000408554525 557444495 /nfs/dbraw/zinc/44/44/95/557444495.db2.gz SVUBWZWBNLFBMW-CQSZACIVSA-N 0 0 413.455 3.362 40 5 HGBBRN COC(=O)c1cc2cc3cc(C(=O)OC)c(C(=O)OC)cc3cc2cc1C(=O)OC ZINC000003122125 557448463 /nfs/dbraw/zinc/44/84/63/557448463.db2.gz QWRORURJOJXUCO-UHFFFAOYSA-N 0 0 410.378 3.139 40 5 HGBBRN Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)c([N+](=O)[O-])c1 ZINC000004545063 558662013 /nfs/dbraw/zinc/66/20/13/558662013.db2.gz IJXXDVRLNLZFCY-LOHFZDIYSA-N 0 0 417.421 3.467 40 5 HGBBRN CCc1cccc(C)c1NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000220029806 558825537 /nfs/dbraw/zinc/82/55/37/558825537.db2.gz UEVMNHAUIAOVOA-UHFFFAOYSA-N 0 0 405.476 3.179 40 5 HGBBRN Cc1c(N(CC(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220029718 558825539 /nfs/dbraw/zinc/82/55/39/558825539.db2.gz STFJDIKETKOXAF-UHFFFAOYSA-N 0 0 405.476 3.431 40 5 HGBBRN O=C1c2cccc3c(N4CCOCC4)ccc(c23)C(=O)N1Nc1ccc([N+](=O)[O-])cc1 ZINC000013550206 558842833 /nfs/dbraw/zinc/84/28/33/558842833.db2.gz CIYVPGGHZBIMFP-UHFFFAOYSA-N 0 0 418.409 3.208 40 5 HGBBRN Cn1ccc([C@@H]2CCCCCN2C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)n1 ZINC000013566808 558843613 /nfs/dbraw/zinc/84/36/13/558843613.db2.gz OLSIFFSQRHXIIW-FQEVSTJZSA-N 0 0 408.462 3.331 40 5 HGBBRN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713696 558857892 /nfs/dbraw/zinc/85/78/92/558857892.db2.gz PZWDCWMDKIXHEG-KRWDZBQOSA-N 0 0 405.476 3.395 40 5 HGBBRN Cc1ccc([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1C ZINC000220037344 558945887 /nfs/dbraw/zinc/94/58/87/558945887.db2.gz YNUMXMLJFZOTHQ-MRXNPFEDSA-N 0 0 419.503 3.163 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1cccc(Cl)c1)S(C)(=O)=O ZINC000220379647 559066007 /nfs/dbraw/zinc/06/60/07/559066007.db2.gz YWVNZJXOLDJIQH-LBPRGKRZSA-N 0 0 411.867 3.350 40 5 HGBBRN CCOc1ccccc1NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000220380543 559068380 /nfs/dbraw/zinc/06/83/80/559068380.db2.gz QHIZCRUHCDKZQU-AWEZNQCLSA-N 0 0 421.475 3.095 40 5 HGBBRN CCOc1cccc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000220393778 559068939 /nfs/dbraw/zinc/06/89/39/559068939.db2.gz OVXYERCWDVWZAY-CQSZACIVSA-N 0 0 421.475 3.095 40 5 HGBBRN CCc1cccc(C)c1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220410823 559076924 /nfs/dbraw/zinc/07/69/24/559076924.db2.gz OQZHNBMBOFMCHT-CQSZACIVSA-N 0 0 405.476 3.259 40 5 HGBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220621897 559174280 /nfs/dbraw/zinc/17/42/80/559174280.db2.gz ULJHCHXYUOJRMW-SFHVURJKSA-N 0 0 421.475 3.095 40 5 HGBBRN CCn1c2cc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c([N+](=O)[O-])cc2n(CC)c1=O ZINC000408526219 559215046 /nfs/dbraw/zinc/21/50/46/559215046.db2.gz AJAHRTFVEIXPSA-UHFFFAOYSA-N 0 0 413.390 3.220 40 5 HGBBRN COc1ccc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1Cl ZINC000408569428 559218433 /nfs/dbraw/zinc/21/84/33/559218433.db2.gz WTRRYCKQJQRFBX-KRQVXIAISA-N 0 0 413.861 3.403 40 5 HGBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(N)=O ZINC000408603197 559220714 /nfs/dbraw/zinc/22/07/14/559220714.db2.gz BKCFRPVMHDUQBW-UHFFFAOYSA-N 0 0 424.251 3.232 40 5 HGBBRN Cc1ccc(NC(=O)COC(=O)CCCC(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000408648652 559223302 /nfs/dbraw/zinc/22/33/02/559223302.db2.gz XRPXGBNKCZPFBY-UHFFFAOYSA-N 0 0 405.451 3.004 40 5 HGBBRN Cc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000408661812 559223525 /nfs/dbraw/zinc/22/35/25/559223525.db2.gz HWZCFYCTFSOWSM-UHFFFAOYSA-N 0 0 419.821 3.457 40 5 HGBBRN COc1cccc(OC)c1NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004981351 559223801 /nfs/dbraw/zinc/22/38/01/559223801.db2.gz JZEOTEDHXMSHOY-OAHLLOKOSA-N 0 0 414.418 3.247 40 5 HGBBRN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CSCN1C(=O)OCc1ccccc1 ZINC000408736357 559225657 /nfs/dbraw/zinc/22/56/57/559225657.db2.gz BCPNOIDJSFXALY-INIZCTEOSA-N 0 0 405.407 3.384 40 5 HGBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000409096129 559240561 /nfs/dbraw/zinc/24/05/61/559240561.db2.gz FLBKWUIMQMECGX-CNOAHFENSA-N 0 0 402.384 3.453 40 5 HGBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000409178116 559243508 /nfs/dbraw/zinc/24/35/08/559243508.db2.gz GKGYTSBTIZJPIW-RTBURBONSA-N 0 0 406.394 3.407 40 5 HGBBRN CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409249201 559246400 /nfs/dbraw/zinc/24/64/00/559246400.db2.gz JTRUTSFQYDZWOS-GZTJUZNOSA-N 0 0 411.414 3.485 40 5 HGBBRN COC(=O)C(=Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OC ZINC000409088505 560675124 /nfs/dbraw/zinc/67/51/24/560675124.db2.gz KDSCRNWTMPTZKJ-UHFFFAOYSA-N 0 0 402.315 3.025 40 5 HGBBRN Cc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1Cl ZINC000409248517 560701816 /nfs/dbraw/zinc/70/18/16/560701816.db2.gz GXCMDPRPSALCDS-UHFFFAOYSA-N 0 0 411.867 3.270 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000409266956 560704255 /nfs/dbraw/zinc/70/42/55/560704255.db2.gz SOVDTTYYCMIRIX-UHFFFAOYSA-N 0 0 405.476 3.431 40 5 HGBBRN O=C(O[C@@H]1CCC[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000018258489 560785661 /nfs/dbraw/zinc/78/56/61/560785661.db2.gz WKLGTEJICMXJTJ-CALCHBBNSA-N 0 0 400.343 3.438 40 5 HGBBRN O=[N+]([O-])c1ccc(-c2nonc2-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000101461214 560794922 /nfs/dbraw/zinc/79/49/22/560794922.db2.gz NNCIQVZDWRPPFB-UHFFFAOYSA-N 0 0 402.235 3.036 40 5 HGBBRN CCOc1ccc(NC2=N[C@H](c3cccc([N+](=O)[O-])c3)n3c(=O)cc(C)nc3N2)cc1 ZINC000101981804 560806161 /nfs/dbraw/zinc/80/61/61/560806161.db2.gz LLCMTFDYVCIJCC-IBGZPJMESA-N 0 0 420.429 3.299 40 5 HGBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1n[nH]c(COc2ccccc2)n1 ZINC000014152587 560839018 /nfs/dbraw/zinc/83/90/18/560839018.db2.gz BMTVFWKEEHUEJY-UHFFFAOYSA-N 0 0 415.431 3.031 40 5 HGBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O)N1CCCCC1 ZINC000106757163 560893679 /nfs/dbraw/zinc/89/36/79/560893679.db2.gz CKCAXABIZXTXSA-ZROIWOOFSA-N 0 0 409.851 3.297 40 5 HGBBRN O=c1[nH]nc(-c2ccc(Cl)cc2)c2c1Nc1nnnn1[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000111999819 568440831 /nfs/dbraw/zinc/44/08/31/568440831.db2.gz JBZHDAQSKYYRJM-INIZCTEOSA-N 0 0 422.792 3.092 40 5 HGBBRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000020410892 568604885 /nfs/dbraw/zinc/60/48/85/568604885.db2.gz SYSVKSLTVRMKGF-UHFFFAOYSA-N 0 0 414.487 3.175 40 5 HGBBRN CC(C)CNC(=O)c1cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2oc1=O ZINC000000941587 568753260 /nfs/dbraw/zinc/75/32/60/568753260.db2.gz YAVSDDMOLZEUEM-UHFFFAOYSA-N 0 0 410.382 3.306 40 5 HGBBRN CC[C@H](C(=O)N[C@@H](C)c1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222512784 568761298 /nfs/dbraw/zinc/76/12/98/568761298.db2.gz JOFZSVQUSGKOLX-KBXCAEBGSA-N 0 0 405.476 3.017 40 5 HGBBRN CCc1ccccc1NC(=O)[C@@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222513931 568761337 /nfs/dbraw/zinc/76/13/37/568761337.db2.gz KWJGIBCHCBSAMW-GOSISDBHSA-N 0 0 405.476 3.341 40 5 HGBBRN CC[C@@H](C(=O)NCCC1=CCCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222521138 568761650 /nfs/dbraw/zinc/76/16/50/568761650.db2.gz QDDUKVNAXMYJAC-SFHVURJKSA-N 0 0 409.508 3.146 40 5 HGBBRN CC[C@@H](C(=O)N1CCCc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222526241 568761778 /nfs/dbraw/zinc/76/17/78/568761778.db2.gz FQQORPMRQMBYBI-SFHVURJKSA-N 0 0 417.487 3.119 40 5 HGBBRN CC[C@@H](C(=O)NC(C(C)C)C(C)C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222535043 568762801 /nfs/dbraw/zinc/76/28/01/568762801.db2.gz GGQPXBOKKFCSIY-INIZCTEOSA-N 0 0 413.540 3.245 40 5 HGBBRN CCOc1ccccc1N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222611788 568764322 /nfs/dbraw/zinc/76/43/22/568764322.db2.gz BWHXCCKLYFBRIF-UHFFFAOYSA-N 0 0 421.475 3.178 40 5 HGBBRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cc3[N+](=O)[O-])C2)cc1 ZINC000022258761 568765980 /nfs/dbraw/zinc/76/59/80/568765980.db2.gz XDDYVVKQIZZCGZ-MRXNPFEDSA-N 0 0 417.487 3.251 40 5 HGBBRN Cc1cc(C)cc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000222683817 568767870 /nfs/dbraw/zinc/76/78/70/568767870.db2.gz NLVVNGZTDLDEKG-UHFFFAOYSA-N 0 0 405.476 3.397 40 5 HGBBRN CCCn1c2ccc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3C)cc2sc1=O ZINC000225726640 568779750 /nfs/dbraw/zinc/77/97/50/568779750.db2.gz AVWYOKLPTXGUQC-UHFFFAOYSA-N 0 0 407.473 3.490 40 5 HGBBRN CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000055687153 568781804 /nfs/dbraw/zinc/78/18/04/568781804.db2.gz YOHCESILUZUPTL-UHFFFAOYSA-N 0 0 418.212 3.025 40 5 HGBBRN Cc1c(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000218471011 568877557 /nfs/dbraw/zinc/87/75/57/568877557.db2.gz RYWZISPENWGBRE-LBPRGKRZSA-N 0 0 411.867 3.350 40 5 HGBBRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223109452 568914062 /nfs/dbraw/zinc/91/40/62/568914062.db2.gz YOWYGVRGNLTCLX-QGZVFWFLSA-N 0 0 403.866 3.344 40 5 HGBBRN CC[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000218052710 568924947 /nfs/dbraw/zinc/92/49/47/568924947.db2.gz XENKOXZXKXYERE-GOSISDBHSA-N 0 0 422.528 3.499 40 5 HGBBRN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218456036 568933349 /nfs/dbraw/zinc/93/33/49/568933349.db2.gz WUNFDTJMRRFTHF-JTQLQIEISA-N 0 0 415.830 3.181 40 5 HGBBRN COc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2c1 ZINC000016021215 569025719 /nfs/dbraw/zinc/02/57/19/569025719.db2.gz JKLYZLATRPHRPN-UHFFFAOYSA-N 0 0 414.443 3.302 40 5 HGBBRN COc1ccccc1Nc1nc(Nc2ccc3[nH]c(=O)[nH]c3c2)nc(C)c1[N+](=O)[O-] ZINC000016249516 569030349 /nfs/dbraw/zinc/03/03/49/569030349.db2.gz CPRUTESRVPAERM-UHFFFAOYSA-N 0 0 407.390 3.359 40 5 HGBBRN Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1[N+](=O)[O-] ZINC000223582205 569030572 /nfs/dbraw/zinc/03/05/72/569030572.db2.gz VPDQYGRCTZLFDI-UHFFFAOYSA-N 0 0 422.850 3.427 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 ZINC000223772322 569031583 /nfs/dbraw/zinc/03/15/83/569031583.db2.gz PDVBZLBEGCETST-UHFFFAOYSA-N 0 0 422.850 3.427 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000223771701 569031597 /nfs/dbraw/zinc/03/15/97/569031597.db2.gz ZNZSLACIQMXDBF-UHFFFAOYSA-N 0 0 408.823 3.085 40 5 HGBBRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000147179518 569042330 /nfs/dbraw/zinc/04/23/30/569042330.db2.gz AWGZINKBRFOXMO-ZDUSSCGKSA-N 0 0 401.419 3.149 40 5 HGBBRN COCCNC(=O)[C@@H](C)Oc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13 ZINC000006624449 569061110 /nfs/dbraw/zinc/06/11/10/569061110.db2.gz NBABOBUUKDUTSG-CQSZACIVSA-N 0 0 415.449 3.122 40 5 biogenic HGBBRN O=C(O[C@H]1CCC[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001716944 569144955 /nfs/dbraw/zinc/14/49/55/569144955.db2.gz WKLGTEJICMXJTJ-IRXDYDNUSA-N 0 0 400.343 3.438 40 5 HGBBRN CC(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2Cl)CC1 ZINC000017090890 569273404 /nfs/dbraw/zinc/27/34/04/569273404.db2.gz GKJGZQBCXZNMNM-UHFFFAOYSA-N 0 0 416.865 3.477 40 5 HGBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017090261 569273656 /nfs/dbraw/zinc/27/36/56/569273656.db2.gz OTIDQTHBMHVBCG-UHFFFAOYSA-N 0 0 415.431 3.230 40 5 HGBBRN CCc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000017089888 569273862 /nfs/dbraw/zinc/27/38/62/569273862.db2.gz VHVRYFYPFYEQDH-UHFFFAOYSA-N 0 0 414.487 3.121 40 5 HGBBRN O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000017093797 569274149 /nfs/dbraw/zinc/27/41/49/569274149.db2.gz YQZFQJMGSNKZMN-UHFFFAOYSA-N 0 0 424.335 3.484 40 5 HGBBRN CCOC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224750680 569287337 /nfs/dbraw/zinc/28/73/37/569287337.db2.gz DSXCJLKYJCTDAK-UHFFFAOYSA-N 0 0 412.851 3.315 40 5 HGBBRN CCOC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224765175 569288555 /nfs/dbraw/zinc/28/85/55/569288555.db2.gz LCOGJWQYYXMXBJ-UHFFFAOYSA-N 0 0 406.460 3.278 40 5 HGBBRN CCn1c(=O)sc2cc(NC(=O)COc3ccc([N+](=O)[O-])c(OC)c3)ccc21 ZINC000225113344 569326538 /nfs/dbraw/zinc/32/65/38/569326538.db2.gz MCFZUTXUJGDEHC-UHFFFAOYSA-N 0 0 403.416 3.017 40 5 HGBBRN O=C(COc1ccc(Cl)cc1Cl)NCC(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000006526547 569333233 /nfs/dbraw/zinc/33/32/33/569333233.db2.gz NLKHJJPIAJWILR-UHFFFAOYSA-N 0 0 413.213 3.140 40 5 HGBBRN O=C(CNC(=O)c1ccco1)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000006595785 569333637 /nfs/dbraw/zinc/33/36/37/569333637.db2.gz XVAGOEKEQMOZHU-FQEVSTJZSA-N 0 0 408.366 3.085 40 5 HGBBRN C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)C(=O)c1ccc(Cl)cc1 ZINC000007881398 569338053 /nfs/dbraw/zinc/33/80/53/569338053.db2.gz SSWZJJRYMLHRCN-TZMCWYRMSA-N 0 0 416.817 3.416 40 5 HGBBRN CC(C)OC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000007882603 569338345 /nfs/dbraw/zinc/33/83/45/569338345.db2.gz CODOFUNVVGHOBC-OAHLLOKOSA-N 0 0 411.414 3.152 40 5 HGBBRN C[C@H](NC(=O)COC(=O)CCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000008412982 569340415 /nfs/dbraw/zinc/34/04/15/569340415.db2.gz UWBQWNIIAKCTEU-HNNXBMFYSA-N 0 0 413.430 3.124 40 5 HGBBRN O=C(CCC(=O)OCC(=O)Nc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000008416307 569340629 /nfs/dbraw/zinc/34/06/29/569340629.db2.gz AUQBLUWTPYQCLW-UHFFFAOYSA-N 0 0 405.794 3.149 40 5 HGBBRN CC(C)COC(=O)c1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008433630 569340889 /nfs/dbraw/zinc/34/08/89/569340889.db2.gz PAMMYTPYLABNDV-UHFFFAOYSA-N 0 0 400.387 3.203 40 5 HGBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000008475212 569341261 /nfs/dbraw/zinc/34/12/61/569341261.db2.gz WCRUBDGPOXDMJO-RTBURBONSA-N 0 0 407.426 3.327 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1N ZINC000008646635 569341867 /nfs/dbraw/zinc/34/18/67/569341867.db2.gz JESAODQXDMVOMX-UHFFFAOYSA-N 0 0 418.866 3.260 40 5 HGBBRN Cc1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1Cl ZINC000010335277 569343908 /nfs/dbraw/zinc/34/39/08/569343908.db2.gz ADHIFNVCIXPHCS-UHFFFAOYSA-N 0 0 411.867 3.270 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(OC(C)C)cc1)S(C)(=O)=O ZINC000010367077 569344187 /nfs/dbraw/zinc/34/41/87/569344187.db2.gz URJQLOYJTYVLAC-UHFFFAOYSA-N 0 0 421.475 3.095 40 5 HGBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCCC1 ZINC000009063785 569391430 /nfs/dbraw/zinc/39/14/30/569391430.db2.gz QRJQICSJHQQXNT-UHFFFAOYSA-N 0 0 419.459 3.030 40 5 HGBBRN Cc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000013387810 569413152 /nfs/dbraw/zinc/41/31/52/569413152.db2.gz FEKBOEQCYYDCIZ-MRXNPFEDSA-N 0 0 409.445 3.248 40 5 HGBBRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(-c2ccccn2)n1 ZINC000329065766 571306109 /nfs/dbraw/zinc/30/61/09/571306109.db2.gz XUQNFAQHRFCNBL-KRWDZBQOSA-N 0 0 412.425 3.758 40 5 HGBBRN COc1ccc(C(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)cc1Br ZINC000073642358 523653829 /nfs/dbraw/zinc/65/38/29/523653829.db2.gz GKTVQTNVTRFZII-UHFFFAOYSA-N 0 0 404.220 3.445 40 5 HGBBRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000019867764 524452535 /nfs/dbraw/zinc/45/25/35/524452535.db2.gz SNOBUVGDTGJEED-UHFFFAOYSA-N 0 0 417.487 3.084 40 5 HGBBRN Cn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000000862152 527081180 /nfs/dbraw/zinc/08/11/80/527081180.db2.gz WEEWMWVBFQKGIN-UHFFFAOYSA-N 0 0 409.471 3.462 40 5 HGBBRN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(I)cc2)ccc1F ZINC000042266845 527339781 /nfs/dbraw/zinc/33/97/81/527339781.db2.gz UNSLSSUDTRALNU-UHFFFAOYSA-N 0 0 422.175 3.139 40 5 HGBBRN CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000408684447 557698242 /nfs/dbraw/zinc/69/82/42/557698242.db2.gz NIEYKXFSLDKLSN-VQTJNVASSA-N 0 0 419.437 3.494 40 5 HGBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408689001 557705751 /nfs/dbraw/zinc/70/57/51/557705751.db2.gz XKIZUHKKVZDWAF-KDURUIRLSA-N 0 0 407.426 3.327 40 5 HGBBRN Cc1cccc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1C ZINC000220382447 559068378 /nfs/dbraw/zinc/06/83/78/559068378.db2.gz ZOOOCKGKCVYUMN-HNNXBMFYSA-N 0 0 405.476 3.313 40 5 HGBBRN CC[C@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000220421617 559078676 /nfs/dbraw/zinc/07/86/76/559078676.db2.gz ZVGJRARDNGKUAZ-BEFAXECRSA-N 0 0 419.503 3.325 40 5 HGBBRN Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000014404542 559165629 /nfs/dbraw/zinc/16/56/29/559165629.db2.gz VUNLIMNBRDOXRU-UHFFFAOYSA-N 0 0 424.373 3.348 40 5 HGBBRN COc1cccc(C(=O)Nc2cc(N3CCN(C)CC3)c([N+](=O)[O-])cc2Cl)c1 ZINC000072229561 559170070 /nfs/dbraw/zinc/17/00/70/559170070.db2.gz GWUYVBGQRWQHMZ-UHFFFAOYSA-N 0 0 404.854 3.261 40 5 HGBBRN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220509489 559172582 /nfs/dbraw/zinc/17/25/82/559172582.db2.gz OSZINQMQKXJZBO-KRWDZBQOSA-N 0 0 405.476 3.395 40 5 HGBBRN Cc1ccc(OCc2ccc(C(=O)NCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000408562447 559218768 /nfs/dbraw/zinc/21/87/68/559218768.db2.gz PPFACUFSMPNKSC-UHFFFAOYSA-N 0 0 409.398 3.444 40 5 HGBBRN Cc1c(NC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000408584726 559220150 /nfs/dbraw/zinc/22/01/50/559220150.db2.gz UFZVYCJLZPQVRZ-UHFFFAOYSA-N 0 0 405.476 3.161 40 5 HGBBRN O=C(NC(=S)Nc1ccccc1O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000408624478 559221905 /nfs/dbraw/zinc/22/19/05/559221905.db2.gz UOUDNQLRQMRCAN-UHFFFAOYSA-N 0 0 400.460 3.418 40 5 HGBBRN Cc1c(Cl)cccc1N1C[C@H](C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000408642435 559223138 /nfs/dbraw/zinc/22/31/38/559223138.db2.gz DVMPZXAEJFLFAQ-CQSZACIVSA-N 0 0 416.817 3.336 40 5 HGBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000408677278 559223941 /nfs/dbraw/zinc/22/39/41/559223941.db2.gz BMOPIXBEPODRPS-OALUTQOASA-N 0 0 405.410 3.103 40 5 HGBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 ZINC000408685200 559224674 /nfs/dbraw/zinc/22/46/74/559224674.db2.gz OYYQYSNQLODZIR-CDHQVMDDSA-N 0 0 419.437 3.349 40 5 HGBBRN Cc1ccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C ZINC000409408427 559249535 /nfs/dbraw/zinc/24/95/35/559249535.db2.gz CNJCAPROKGPDSM-HNNXBMFYSA-N 0 0 405.476 3.313 40 5 HGBBRN O=C(Nc1ccc(Br)cc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000007927938 559257105 /nfs/dbraw/zinc/25/71/05/559257105.db2.gz FLNMZOAPRJJEMU-NSHDSACASA-N 0 0 404.220 3.349 40 5 HGBBRN COC(=O)c1cccc([N+](=O)[O-])c1C(=O)OCC(=O)c1ccc(Br)cc1 ZINC000000863579 559291720 /nfs/dbraw/zinc/29/17/20/559291720.db2.gz XBSCWJGYBZBOQH-UHFFFAOYSA-N 0 0 422.187 3.184 40 5 HGBBRN Cc1ccc(-c2c(N)nc(NC#N)nc2CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000005553429 560610985 /nfs/dbraw/zinc/61/09/85/560610985.db2.gz VAEYJLPYMGDPCS-UHFFFAOYSA-N 0 0 417.429 3.407 40 5 HGBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(F)cc1 ZINC000409156832 560685558 /nfs/dbraw/zinc/68/55/58/560685558.db2.gz UTCFIQNRRSRINV-OQLLNIDSSA-N 0 0 401.375 3.409 40 5 HGBBRN CCCCCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000006308690 560741578 /nfs/dbraw/zinc/74/15/78/560741578.db2.gz IAIKTUIVJHGMKF-UHFFFAOYSA-N 0 0 405.476 3.097 40 5 HGBBRN COc1ccc(NC(=O)CSc2n[nH]c(COc3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000014152585 560839045 /nfs/dbraw/zinc/83/90/45/560839045.db2.gz UTQAPHKTWUPKPL-UHFFFAOYSA-N 0 0 415.431 3.031 40 5 HGBBRN O=C1c2cccc3c(Oc4ccccc4[N+](=O)[O-])ccc(c32)C(=O)N1n1cnnc1 ZINC000000819766 568490187 /nfs/dbraw/zinc/49/01/87/568490187.db2.gz SDBGNXMBDPNANL-UHFFFAOYSA-N 0 0 401.338 3.064 40 5 HGBBRN CCOc1ccc([C@@H](N)c2nc(-c3cc([N+](=O)[O-])ccc3OC)n[nH]2)cc1OCC ZINC000095534619 568635587 /nfs/dbraw/zinc/63/55/87/568635587.db2.gz PTEHOCSAFANOHG-GOSISDBHSA-N 0 0 413.434 3.234 40 5 HGBBRN CCOC(=O)[C@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 ZINC000000898388 568740874 /nfs/dbraw/zinc/74/08/74/568740874.db2.gz ZRZFFVAKWKTLLS-WFASDCNBSA-N 0 0 406.464 3.076 40 5 HGBBRN Cc1ccc(CNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000222373704 568752537 /nfs/dbraw/zinc/75/25/37/568752537.db2.gz LUFVVEBETCHJKN-UHFFFAOYSA-N 0 0 419.503 3.074 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@@H](C)c1ccccc1)S(C)(=O)=O ZINC000222371433 568752639 /nfs/dbraw/zinc/75/26/39/568752639.db2.gz TVRDGQWWCHPMKX-INIZCTEOSA-N 0 0 419.503 3.327 40 5 HGBBRN CC[C@H](C(=O)Nc1ccc(C)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222513256 568761296 /nfs/dbraw/zinc/76/12/96/568761296.db2.gz OXHAMKKKDOOYCP-GOSISDBHSA-N 0 0 405.476 3.395 40 5 HGBBRN CC[C@@H](C(=O)Nc1ccccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222514216 568761300 /nfs/dbraw/zinc/76/13/00/568761300.db2.gz OLQOYPLKNVJQCS-INIZCTEOSA-N 0 0 411.867 3.432 40 5 HGBBRN CC[C@H](C(=O)NC(C(C)C)C(C)C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222535095 568762784 /nfs/dbraw/zinc/76/27/84/568762784.db2.gz GGQPXBOKKFCSIY-MRXNPFEDSA-N 0 0 413.540 3.245 40 5 HGBBRN O=C(CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)N1CCOCC1 ZINC000002771223 568807800 /nfs/dbraw/zinc/80/78/00/568807800.db2.gz QAYFQQGMEGVINP-UHFFFAOYSA-N 0 0 401.375 3.087 40 5 HGBBRN CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000005842193 568825533 /nfs/dbraw/zinc/82/55/33/568825533.db2.gz ZKTVOUNQRIVYPR-UHFFFAOYSA-N 0 0 416.459 3.081 40 5 HGBBRN COc1ccc(-c2noc(CN(C)C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c(OC)c1 ZINC000218133904 568926256 /nfs/dbraw/zinc/92/62/56/568926256.db2.gz ZOSKYSJVRBGXEQ-UHFFFAOYSA-N 0 0 412.402 3.243 40 5 HGBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H](N1CCN(CCO)CC1)Cc1ccc(F)cc1S2 ZINC000031793480 568931287 /nfs/dbraw/zinc/93/12/87/568931287.db2.gz SYZQQZSBHCAWAX-SFHVURJKSA-N 0 0 403.479 3.092 40 5 HGBBRN COc1cccc(OCCNC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000059417127 568953230 /nfs/dbraw/zinc/95/32/30/568953230.db2.gz DEJFHWGTZNXZSS-UHFFFAOYSA-N 0 0 414.336 3.196 40 5 HGBBRN COC(=O)C(C(=O)OC)[C@@H](C[N+](=O)[O-])c1ccc(OCc2ccccc2Cl)cc1 ZINC000016189603 569029694 /nfs/dbraw/zinc/02/96/94/569029694.db2.gz ISIHMKSZODVJCQ-INIZCTEOSA-N 0 0 421.833 3.242 40 5 HGBBRN Cc1ccc(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1[N+](=O)[O-] ZINC000223581831 569030561 /nfs/dbraw/zinc/03/05/61/569030561.db2.gz HYWXHNGJJWTZNI-UHFFFAOYSA-N 0 0 408.823 3.085 40 5 HGBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)o2)c1 ZINC000223600752 569030609 /nfs/dbraw/zinc/03/06/09/569030609.db2.gz ZQLRCUROWCWLFG-MOPGFXCFSA-N 0 0 410.455 3.215 40 5 HGBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)o1 ZINC000223592182 569030625 /nfs/dbraw/zinc/03/06/25/569030625.db2.gz SXMUFNMQYGUXPA-RBUKOAKNSA-N 0 0 410.455 3.215 40 5 HGBBRN COc1ccc(-c2nnc(NC(=O)COc3ccc([N+](=O)[O-])c(OC)c3)s2)cc1 ZINC000223592758 569030644 /nfs/dbraw/zinc/03/06/44/569030644.db2.gz COKMRAJHIBTEFC-UHFFFAOYSA-N 0 0 416.415 3.148 40 5 HGBBRN Cc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)cc1[N+](=O)[O-] ZINC000223761947 569031568 /nfs/dbraw/zinc/03/15/68/569031568.db2.gz CEZBQQUTUQSBER-UHFFFAOYSA-N 0 0 408.823 3.085 40 5 HGBBRN CCC[C@@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000006945255 569188257 /nfs/dbraw/zinc/18/82/57/569188257.db2.gz CSIBYGWHPBGNFX-OAHLLOKOSA-N 0 0 405.476 3.095 40 5 HGBBRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(I)cc1F ZINC000017090471 569273751 /nfs/dbraw/zinc/27/37/51/569273751.db2.gz ZGNZCBMGQOABHU-UHFFFAOYSA-N 0 0 416.146 3.356 40 5 HGBBRN Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000017089895 569273473 /nfs/dbraw/zinc/27/34/73/569273473.db2.gz BDLKQXMXZOJCPA-UHFFFAOYSA-N 0 0 414.487 3.175 40 5 HGBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc2c(c1)OCCO2 ZINC000017090560 569273504 /nfs/dbraw/zinc/27/35/04/569273504.db2.gz AAMQKMAXVBYBTF-UHFFFAOYSA-N 0 0 416.440 3.103 40 5 HGBBRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)c(F)c1F ZINC000017092614 569273885 /nfs/dbraw/zinc/27/38/85/569273885.db2.gz MYYMLQCGBWOLDA-UHFFFAOYSA-N 0 0 421.303 3.426 40 5 HGBBRN O=C(NC(=S)Nc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017092468 569273893 /nfs/dbraw/zinc/27/38/93/569273893.db2.gz IZVMCNJNRRYREN-UHFFFAOYSA-N 0 0 420.878 3.212 40 5 HGBBRN CCOC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224766594 569288673 /nfs/dbraw/zinc/28/86/73/569288673.db2.gz NGLYWAHDZUKJTG-UHFFFAOYSA-N 0 0 406.460 3.278 40 5 HGBBRN COc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2C)cc1Br ZINC000224885156 569293408 /nfs/dbraw/zinc/29/34/08/569293408.db2.gz IPULNUYXHOHXQR-UHFFFAOYSA-N 0 0 415.265 3.499 40 5 HGBBRN CCOC(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225079492 569324151 /nfs/dbraw/zinc/32/41/51/569324151.db2.gz SMDQQTADOXIXSK-UHFFFAOYSA-N 0 0 406.460 3.224 40 5 HGBBRN CC(C)(C)C(=O)COC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006304914 569330489 /nfs/dbraw/zinc/33/04/89/569330489.db2.gz WSJRXWCDMOWYIP-UHFFFAOYSA-N 0 0 405.428 3.200 40 5 HGBBRN C[C@@H](NC(=O)COC(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000008417255 569340687 /nfs/dbraw/zinc/34/06/87/569340687.db2.gz JHOZXAQJLIJUGZ-OAHLLOKOSA-N 0 0 413.430 3.124 40 5 HGBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)CCCC1=O ZINC000008475183 569341278 /nfs/dbraw/zinc/34/12/78/569341278.db2.gz MBRYVMQGTDNFOI-UHFFFAOYSA-N 0 0 401.806 3.345 40 5 HGBBRN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000008902446 569390834 /nfs/dbraw/zinc/39/08/34/569390834.db2.gz MRPLLLNEYUXTOG-UHFFFAOYSA-N 0 0 406.782 3.245 40 5 HGBBRN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000008902362 569390835 /nfs/dbraw/zinc/39/08/35/569390835.db2.gz BGXXOXIEPJVHOS-UHFFFAOYSA-N 0 0 406.236 3.446 40 5 HGBBRN CCOC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113895700 569393433 /nfs/dbraw/zinc/39/34/33/569393433.db2.gz WUWOKTNINZCSLQ-UHFFFAOYSA-N 0 0 406.460 3.477 40 5 HGBBRN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000010010429 569394863 /nfs/dbraw/zinc/39/48/63/569394863.db2.gz UWSQHHKKQWEPTM-UHFFFAOYSA-N 0 0 416.865 3.477 40 5 HGBBRN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc([N+](=O)[O-])cc1 ZINC000013370406 569412341 /nfs/dbraw/zinc/41/23/41/569412341.db2.gz OWSYKZNRLCBOKD-UHFFFAOYSA-N 0 0 401.360 3.284 40 5 HGBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000019163017 569414225 /nfs/dbraw/zinc/41/42/25/569414225.db2.gz DNAMGRBXAUAZET-UHFFFAOYSA-N 0 0 409.851 3.285 40 5 HGBBRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000019164842 569414308 /nfs/dbraw/zinc/41/43/08/569414308.db2.gz YGTGWKMEZCFFSX-UHFFFAOYSA-N 0 0 417.487 3.251 40 5 HGBBRN COc1ccc(Nc2cc(-c3ccccn3)nc(N[C@@H](CO)C(C)C)n2)c([N+](=O)[O-])c1 ZINC000329053251 571309321 /nfs/dbraw/zinc/30/93/21/571309321.db2.gz VFBXDJILVULBJJ-SFHVURJKSA-N 0 0 424.461 3.628 40 5 HGBBRN COc1ccc(C(=O)Nc2ncc(I)cc2C)cc1[N+](=O)[O-] ZINC000032125120 523764914 /nfs/dbraw/zinc/76/49/14/523764914.db2.gz JAVJRQJHZOCSOP-UHFFFAOYSA-N 0 0 413.171 3.164 40 5 HGBBRN CSc1n[nH]c(-n2ccc3nc4ccn([C@H]5CCCC[C@@H]5C)c(=O)c4cc3c2=O)n1 ZINC000040398864 526206329 /nfs/dbraw/zinc/20/63/29/526206329.db2.gz DIVOGUQDRRZMQA-SJCJKPOMSA-N 0 0 422.514 3.292 40 5 HGBBRN CCOC(=O)c1cc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)ccc1Cl ZINC000219826888 558286037 /nfs/dbraw/zinc/28/60/37/558286037.db2.gz SVQYTQXHVNZHGF-UHFFFAOYSA-N 0 0 408.794 3.451 40 5 HGBBRN CSc1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 ZINC000220028523 558825391 /nfs/dbraw/zinc/82/53/91/558825391.db2.gz OBFFRZZZYQQNRG-UHFFFAOYSA-N 0 0 409.489 3.030 40 5 HGBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713562 558857938 /nfs/dbraw/zinc/85/79/38/558857938.db2.gz ATHQZZFEXBRVCQ-QGZVFWFLSA-N 0 0 421.475 3.095 40 5 HGBBRN CCc1ccc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000220382552 559068388 /nfs/dbraw/zinc/06/83/88/559068388.db2.gz QRKQRWAYZAVULJ-CQSZACIVSA-N 0 0 405.476 3.259 40 5 HGBBRN CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408531962 559216701 /nfs/dbraw/zinc/21/67/01/559216701.db2.gz PHBHHVBGSZUWFK-UHFFFAOYSA-N 0 0 414.378 3.183 40 5 HGBBRN COC(=O)c1cc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc(C(=O)OC)c1 ZINC000408563171 559218399 /nfs/dbraw/zinc/21/83/99/559218399.db2.gz JVCRPCHBJTVVIA-UHFFFAOYSA-N 0 0 418.427 3.040 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 ZINC000408582077 559220072 /nfs/dbraw/zinc/22/00/72/559220072.db2.gz BJZLHUDBFGZJFZ-UHFFFAOYSA-N 0 0 406.464 3.482 40 5 HGBBRN COc1cccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000408627559 559222116 /nfs/dbraw/zinc/22/21/16/559222116.db2.gz LRHLKIRPWXHUND-UHFFFAOYSA-N 0 0 400.460 3.330 40 5 HGBBRN CC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2Cl)CC1 ZINC000408629330 559223002 /nfs/dbraw/zinc/22/30/02/559223002.db2.gz XELMUXRKGQWUGD-UHFFFAOYSA-N 0 0 402.838 3.169 40 5 HGBBRN Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000408664604 559223742 /nfs/dbraw/zinc/22/37/42/559223742.db2.gz ROVRJHQFPYZLDG-UHFFFAOYSA-N 0 0 419.821 3.457 40 5 HGBBRN Cc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)C3)n2)o1 ZINC000001364601 560579872 /nfs/dbraw/zinc/57/98/72/560579872.db2.gz WHFPGGBNKSFGIM-CYBMUJFWSA-N 0 0 418.431 3.115 40 5 HGBBRN Cc1ccc(NC(=O)COc2ccc(C=Cc3nc(O)c([N+](=O)[O-])c(O)n3)cc2)cc1 ZINC000409348501 560713239 /nfs/dbraw/zinc/71/32/39/560713239.db2.gz NWIZLTBMJFQTRN-WDZFZDKYSA-N 0 0 422.397 3.292 40 5 HGBBRN COc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC ZINC000409368503 560716503 /nfs/dbraw/zinc/71/65/03/560716503.db2.gz ZIJMGDCPECSNEP-UHFFFAOYSA-N 0 0 424.203 3.414 40 5 HGBBRN CSC1=NC(=O)C2=c3ccccc3=N[C@H](c3c4ccccc4cc4ccccc43)N2N1 ZINC000588226493 560743184 /nfs/dbraw/zinc/74/31/84/560743184.db2.gz TVVVILROSIEKSA-QHCPKHFHSA-N 0 0 422.513 3.499 40 5 HGBBRN O=c1[nH]nc(-c2ccc(Cl)cc2)c2c1Nc1nnnn1[C@H]2c1ccccc1[N+](=O)[O-] ZINC000111999923 568440784 /nfs/dbraw/zinc/44/07/84/568440784.db2.gz VLQLALRWOSQUJA-INIZCTEOSA-N 0 0 422.792 3.092 40 5 HGBBRN Cc1c(N(CC(=O)Nc2cccc(OC(C)C)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220031259 568501358 /nfs/dbraw/zinc/50/13/58/568501358.db2.gz ZMQIONQUEXCZGV-UHFFFAOYSA-N 0 0 421.475 3.095 40 5 HGBBRN Cc1ccc(Cl)cc1NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000220027293 568501378 /nfs/dbraw/zinc/50/13/78/568501378.db2.gz ZWOGUYHTYUPIQG-UHFFFAOYSA-N 0 0 411.867 3.270 40 5 HGBBRN CCOc1ccc([C@H](N)c2nc(COc3cccc([N+](=O)[O-])c3)n[nH]2)cc1OCC ZINC000095534582 568635722 /nfs/dbraw/zinc/63/57/22/568635722.db2.gz YJMCKFSVJRJQGD-IBGZPJMESA-N 0 0 413.434 3.137 40 5 HGBBRN COC(=O)[C@H](C)Sc1nnc(COc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000000916861 568750074 /nfs/dbraw/zinc/75/00/74/568750074.db2.gz CHBHTTKSAVZKTG-ZDUSSCGKSA-N 0 0 414.443 3.408 40 5 HGBBRN CC[C@@H](C(=O)Nc1ccc(F)cc1F)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222521740 568761784 /nfs/dbraw/zinc/76/17/84/568761784.db2.gz FRMWOFXVFQEBCE-INIZCTEOSA-N 0 0 413.402 3.056 40 5 HGBBRN CC[C@H](C(=O)NCCC1=CCCCC1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222536486 568762779 /nfs/dbraw/zinc/76/27/79/568762779.db2.gz KXMDVWQJJGXXEY-GOSISDBHSA-N 0 0 423.535 3.455 40 5 HGBBRN C[C@H](NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1 ZINC000222683282 568767811 /nfs/dbraw/zinc/76/78/11/568767811.db2.gz XCHKWQGFQCHPAX-HNNXBMFYSA-N 0 0 405.476 3.018 40 5 HGBBRN COc1ccc(Br)cc1S(=O)(=O)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000027914389 568772102 /nfs/dbraw/zinc/77/21/02/568772102.db2.gz ADFNSICWDDXSSW-UHFFFAOYSA-N 0 0 415.265 3.187 40 5 HGBBRN O=C(NCCSc1n[nH]c(-c2ccccc2)n1)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225989802 568784581 /nfs/dbraw/zinc/78/45/81/568784581.db2.gz QIXQTSNYWOUSME-UHFFFAOYSA-N 0 0 409.471 3.320 40 5 HGBBRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222922043 568834733 /nfs/dbraw/zinc/83/47/33/568834733.db2.gz NXLMLGAAFQFPEF-IBGZPJMESA-N 0 0 415.515 3.381 40 5 HGBBRN COc1ccc(-c2noc(CNC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c(OC)c1 ZINC000218126516 568926316 /nfs/dbraw/zinc/92/63/16/568926316.db2.gz GLMWSVSVQPVSCF-UHFFFAOYSA-N 0 0 418.793 3.245 40 5 HGBBRN CC(C)c1ccc(-c2noc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000223591028 569030543 /nfs/dbraw/zinc/03/05/43/569030543.db2.gz VANJVXAPMRBPHC-UHFFFAOYSA-N 0 0 402.432 3.247 40 5 HGBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)o1 ZINC000223592055 569030554 /nfs/dbraw/zinc/03/05/54/569030554.db2.gz SXMUFNMQYGUXPA-RTBURBONSA-N 0 0 410.455 3.215 40 5 HGBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCO)o2)cc1 ZINC000223601102 569030645 /nfs/dbraw/zinc/03/06/45/569030645.db2.gz USGQKFWTDXNEIT-OALUTQOASA-N 0 0 410.455 3.215 40 5 HGBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)o2)cc1 ZINC000223600988 569030659 /nfs/dbraw/zinc/03/06/59/569030659.db2.gz USGQKFWTDXNEIT-MOPGFXCFSA-N 0 0 410.455 3.215 40 5 HGBBRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000006271610 569036593 /nfs/dbraw/zinc/03/65/93/569036593.db2.gz BNRRIDPJLYIGCA-MDWZMJQESA-N 0 0 403.460 3.277 40 5 HGBBRN CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000006305562 569038552 /nfs/dbraw/zinc/03/85/52/569038552.db2.gz DAIYRKLNGRPTPB-UHFFFAOYSA-N 0 0 416.459 3.081 40 5 HGBBRN CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224486521 569061638 /nfs/dbraw/zinc/06/16/38/569061638.db2.gz OSWNDHQHVCYKFU-GOSISDBHSA-N 0 0 411.502 3.369 40 5 HGBBRN Cc1ccccc1OCC(=O)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000017082387 569273026 /nfs/dbraw/zinc/27/30/26/569273026.db2.gz HMYRFDWDSLHHKH-UHFFFAOYSA-N 0 0 402.457 3.405 40 5 HGBBRN NC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000017088440 569274097 /nfs/dbraw/zinc/27/40/97/569274097.db2.gz HFPMNPWPKINCIA-UHFFFAOYSA-N 0 0 410.411 3.081 40 5 HGBBRN C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])c2C(N)=O)C1 ZINC000017091450 569274193 /nfs/dbraw/zinc/27/41/93/569274193.db2.gz WMQRKEFCRDMZGJ-VIFPVBQESA-N 0 0 418.500 3.007 40 5 HGBBRN O=C(/N=c1/sccn1Cc1ccccc1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000017368819 569291996 /nfs/dbraw/zinc/29/19/96/569291996.db2.gz WWZOHCNJRFNUIU-HTXNQAPBSA-N 0 0 402.363 3.295 40 5 HGBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224849507 569292406 /nfs/dbraw/zinc/29/24/06/569292406.db2.gz YYRHRLWKKUTBMR-OAHLLOKOSA-N 0 0 401.438 3.220 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000007872148 569314910 /nfs/dbraw/zinc/31/49/10/569314910.db2.gz RSQOGERLJFIQRB-LBPRGKRZSA-N 0 0 411.867 3.350 40 5 HGBBRN CN(c1ccc(I)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225001515 569321900 /nfs/dbraw/zinc/32/19/00/569321900.db2.gz SKXQDRPNJDGXJG-UHFFFAOYSA-N 0 0 418.212 3.025 40 5 HGBBRN CCOC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225073076 569324078 /nfs/dbraw/zinc/32/40/78/569324078.db2.gz WZPJKAJVFDSNIP-UHFFFAOYSA-N 0 0 412.851 3.315 40 5 HGBBRN O=C(CCCC(=O)OCC(=O)Nc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000008412995 569340410 /nfs/dbraw/zinc/34/04/10/569340410.db2.gz ZHKQGAIKZVHLFC-UHFFFAOYSA-N 0 0 403.366 3.025 40 5 HGBBRN O=C(CCC(=O)OCC(=O)Nc1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000008416378 569340669 /nfs/dbraw/zinc/34/06/69/569340669.db2.gz DGWUHTBAVHPBQG-UHFFFAOYSA-N 0 0 405.794 3.149 40 5 HGBBRN CCc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000008417305 569340729 /nfs/dbraw/zinc/34/07/29/569340729.db2.gz IEYAHTBSFVXKOM-UHFFFAOYSA-N 0 0 413.430 3.448 40 5 HGBBRN COC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000113882818 569393293 /nfs/dbraw/zinc/39/32/93/569393293.db2.gz VFUULPIRUIDQOD-UHFFFAOYSA-N 0 0 419.242 3.270 40 5 HGBBRN COC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000113883510 569393394 /nfs/dbraw/zinc/39/33/94/569393394.db2.gz KXAZQSOSHPBYIJ-UHFFFAOYSA-N 0 0 419.242 3.270 40 5 HGBBRN COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000012173505 569399738 /nfs/dbraw/zinc/39/97/38/569399738.db2.gz KSKBYYNUMPUUHG-UHFFFAOYSA-N 0 0 416.415 3.393 40 5 HGBBRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(-c2ccccn2)n1 ZINC000329065768 571305884 /nfs/dbraw/zinc/30/58/84/571305884.db2.gz XUQNFAQHRFCNBL-QGZVFWFLSA-N 0 0 412.425 3.758 40 5 HGBBRN COc1ccc2nc(NC(=S)NC(=O)COc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000016227835 571309396 /nfs/dbraw/zinc/30/93/96/571309396.db2.gz KYBITDJFPQKNDI-UHFFFAOYSA-N 0 0 418.456 3.105 40 5 HGBBRN COCCNc1ncccc1-c1noc([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000035424897 291237037 /nfs/dbraw/zinc/23/70/37/291237037.db2.gz LSIMCDXVDGMBPG-SFHVURJKSA-N 0 0 424.461 3.435 40 5 biogenic,in-vitro HGBBRN O=C1NN(c2ccc([N+](=O)[O-])cc2)C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]12 ZINC000004852556 132290559 /nfs/dbraw/zinc/29/05/59/132290559.db2.gz UZUZWSQZFIGCNM-LIKPIUCQSA-N 0 0 411.417 3.496 40 5 HGBBRN CSc1n[nH]c(-n2ccc3nc4ccn(C5CCCCC5)c(=O)c4cc3c2=O)n1 ZINC000040398862 526205708 /nfs/dbraw/zinc/20/57/08/526205708.db2.gz VSQQFTQFYKYNJH-UHFFFAOYSA-N 0 0 408.487 3.046 40 5 HGBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1 ZINC000059720640 558468833 /nfs/dbraw/zinc/46/88/33/558468833.db2.gz KSAVOXAXCFKZFH-ZDUSSCGKSA-N 0 0 402.790 3.027 40 5 HGBBRN Cc1cc(Cl)ccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000220027199 558825377 /nfs/dbraw/zinc/82/53/77/558825377.db2.gz OPWMOOYGEILGJR-UHFFFAOYSA-N 0 0 411.867 3.270 40 5 HGBBRN NC(=O)c1cc([N+](=O)[O-])cc2nc(-c3cccc(I)c3)oc21 ZINC000073641692 558849704 /nfs/dbraw/zinc/84/97/04/558849704.db2.gz JKODSBIMGFMIGJ-UHFFFAOYSA-N 0 0 409.139 3.107 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1cccc(Cl)c1)S(C)(=O)=O ZINC000220379711 559066024 /nfs/dbraw/zinc/06/60/24/559066024.db2.gz YWVNZJXOLDJIQH-GFCCVEGCSA-N 0 0 411.867 3.350 40 5 HGBBRN CC(C)Oc1cccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000220413248 559076730 /nfs/dbraw/zinc/07/67/30/559076730.db2.gz GBEKWQBPTAWOEX-AWEZNQCLSA-N 0 0 421.475 3.175 40 5 HGBBRN CC[C@@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000220421543 559078690 /nfs/dbraw/zinc/07/86/90/559078690.db2.gz ZVGJRARDNGKUAZ-DNVCBOLYSA-N 0 0 419.503 3.325 40 5 HGBBRN CCN1CCN(c2cc(NC(=O)COc3ccccc3)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229606 559169980 /nfs/dbraw/zinc/16/99/80/559169980.db2.gz USHWBAHLYGMMCS-UHFFFAOYSA-N 0 0 418.881 3.408 40 5 HGBBRN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220569153 559173588 /nfs/dbraw/zinc/17/35/88/559173588.db2.gz JEAPOMNLGJMTBN-SFHVURJKSA-N 0 0 405.476 3.395 40 5 HGBBRN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccccc1F)S(C)(=O)=O ZINC000220596339 559173944 /nfs/dbraw/zinc/17/39/44/559173944.db2.gz LJAHVNGWRUKZMC-HNNXBMFYSA-N 0 0 409.439 3.226 40 5 HGBBRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220648679 559175929 /nfs/dbraw/zinc/17/59/29/559175929.db2.gz UHXCZMCCBNLXSS-QGZVFWFLSA-N 0 0 421.475 3.095 40 5 HGBBRN O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000006526750 559209271 /nfs/dbraw/zinc/20/92/71/559209271.db2.gz MLHYLZAIEVRTCS-UHFFFAOYSA-N 0 0 409.181 3.241 40 5 HGBBRN COc1ccc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1Cl ZINC000408569426 559218778 /nfs/dbraw/zinc/21/87/78/559218778.db2.gz WTRRYCKQJQRFBX-GZMOKQHVSA-N 0 0 413.861 3.403 40 5 HGBBRN Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000408664409 559223657 /nfs/dbraw/zinc/22/36/57/559223657.db2.gz QQEBVEBTUGLDRS-UHFFFAOYSA-N 0 0 419.821 3.457 40 5 HGBBRN CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000408657463 559223803 /nfs/dbraw/zinc/22/38/03/559223803.db2.gz UGVHAPSLIODWGG-SFHVURJKSA-N 0 0 424.453 3.499 40 5 HGBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1S(=O)(=O)NC(C)C ZINC000408701525 559225044 /nfs/dbraw/zinc/22/50/44/559225044.db2.gz ZFRMUUIYTDEJMD-UHFFFAOYSA-N 0 0 421.475 3.241 40 5 HGBBRN O=C(CN1C(=O)SC(=Cc2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)c1ccccc1 ZINC000409363780 559248815 /nfs/dbraw/zinc/24/88/15/559248815.db2.gz VBHOPIKYGPEIQK-IDUWFGFVSA-N 0 0 412.379 3.243 40 5 HGBBRN O=C(CN1CCC(NC(=O)c2ccccc2Cl)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000004909004 560617934 /nfs/dbraw/zinc/61/79/34/560617934.db2.gz KYYOEEAAOPBFOC-UHFFFAOYSA-N 0 0 416.865 3.081 40 5 HGBBRN O=C(COC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000409002326 560664083 /nfs/dbraw/zinc/66/40/83/560664083.db2.gz NFIBSDZYZNISNH-SFHVURJKSA-N 0 0 412.398 3.122 40 5 HGBBRN CCCN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409242500 560702597 /nfs/dbraw/zinc/70/25/97/560702597.db2.gz OBJGCVJJCYEOKX-GZTJUZNOSA-N 0 0 411.414 3.485 40 5 HGBBRN CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2=O)cc1 ZINC000005708189 560794088 /nfs/dbraw/zinc/79/40/88/560794088.db2.gz JSZGRXWSHQRDOX-AWEZNQCLSA-N 0 0 413.430 3.384 40 5 HGBBRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000014291345 560841054 /nfs/dbraw/zinc/84/10/54/560841054.db2.gz NOWMFXWHUIMKOV-UHFFFAOYSA-N 0 0 410.415 3.330 40 5 HGBBRN CCCc1ccc(OCCNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2OC)cc1 ZINC000045206847 568418828 /nfs/dbraw/zinc/41/88/28/568418828.db2.gz BFECYWODTMTDJP-UHFFFAOYSA-N 0 0 401.463 3.431 40 5 HGBBRN O=C1N/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(Br)cc1 ZINC000111505538 568431673 /nfs/dbraw/zinc/43/16/73/568431673.db2.gz RXXSXKZZBRXQRN-NTEUORMPSA-N 0 0 402.204 3.450 40 5 HGBBRN CS(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1Cl ZINC000218248563 568476830 /nfs/dbraw/zinc/47/68/30/568476830.db2.gz OWOXJZWNZVPQET-UHFFFAOYSA-N 0 0 418.258 3.306 40 5 HGBBRN CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000845595 568546907 /nfs/dbraw/zinc/54/69/07/568546907.db2.gz QASPKMXTXASUDV-GOSISDBHSA-N 0 0 412.471 3.425 40 5 HGBBRN O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000020142900 568590092 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ZINC000019928482 524687127 /nfs/dbraw/zinc/68/71/27/524687127.db2.gz MFDZYMLVOPPVFB-UHFFFAOYSA-N 0 0 416.415 3.296 40 5 HGBBRN O=C(COc1ccc(Br)cc1)N1CCN=Cc2cc([N+](=O)[O-])ccc21 ZINC000073642444 526946727 /nfs/dbraw/zinc/94/67/27/526946727.db2.gz DNEXGBPGSUGWOJ-UHFFFAOYSA-N 0 0 404.220 3.202 40 5 HGBBRN CCOc1ccc(Nc2nc(O)c(CC(=O)Nc3ccccc3[N+](=O)[O-])s2)cc1 ZINC000005499891 557658113 /nfs/dbraw/zinc/65/81/13/557658113.db2.gz WMFTVCDMRYARPC-INIZCTEOSA-N 0 0 414.443 3.432 40 5 HGBBRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714611 558857920 /nfs/dbraw/zinc/85/79/20/558857920.db2.gz FOIHNAKMNXQJND-MRXNPFEDSA-N 0 0 411.867 3.432 40 5 HGBBRN Cc1ccc(OCc2nn3c(CN4CCCCCC4)nnc3s2)c([N+](=O)[O-])c1 ZINC000071260604 558862200 /nfs/dbraw/zinc/86/22/00/558862200.db2.gz CDGWNJVUARSNSO-UHFFFAOYSA-N 0 0 402.480 3.357 40 5 HGBBRN Cc1ccc([C@@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C ZINC000022375273 558988485 /nfs/dbraw/zinc/98/84/85/558988485.db2.gz 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OFOLGAZSUXBJCX-ZAOYMGCJSA-N 0 0 411.458 3.006 40 5 HGBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(CC)cc3)CC2)c([N+](=O)[O-])c1 ZINC000408576374 559219484 /nfs/dbraw/zinc/21/94/84/559219484.db2.gz XQTSUTMSGHPZPS-UHFFFAOYSA-N 0 0 411.458 3.296 40 5 HGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(C)cc(C(F)(F)F)n1 ZINC000408583626 559220000 /nfs/dbraw/zinc/22/00/00/559220000.db2.gz VWZHVZYQWJJZMB-UHFFFAOYSA-N 0 0 402.354 3.451 40 5 HGBBRN Cc1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000014798664 560851822 /nfs/dbraw/zinc/85/18/22/560851822.db2.gz DWUGRIZRTHGYTK-AWEZNQCLSA-N 0 0 421.450 3.082 40 5 HGBBRN COc1cccc([C@]2(O)C=C(C(F)(F)F)NN2C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000000827418 568497971 /nfs/dbraw/zinc/49/79/71/568497971.db2.gz NZFCHUKKZJCGNI-QGZVFWFLSA-N 0 0 409.320 3.213 40 5 HGBBRN Cc1ccccc1-c1noc(CN(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000223582007 568552292 /nfs/dbraw/zinc/55/22/92/568552292.db2.gz DKOKQCOJCCNQDU-UHFFFAOYSA-N 0 0 402.432 3.082 40 5 HGBBRN CC(C)OC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O ZINC000095681939 568643828 /nfs/dbraw/zinc/64/38/28/568643828.db2.gz HGQJBWAOTPXHMW-UHFFFAOYSA-N 0 0 401.287 3.188 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@H](C)c1ccccc1)S(C)(=O)=O ZINC000222373902 568752533 /nfs/dbraw/zinc/75/25/33/568752533.db2.gz TVRDGQWWCHPMKX-MRXNPFEDSA-N 0 0 419.503 3.327 40 5 HGBBRN Cc1ccccc1CNC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222373613 568752604 /nfs/dbraw/zinc/75/26/04/568752604.db2.gz DGLKJVLQYLVWER-UHFFFAOYSA-N 0 0 419.503 3.074 40 5 HGBBRN CC[C@@H](C(=O)N[C@H](C)c1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222534895 568762807 /nfs/dbraw/zinc/76/28/07/568762807.db2.gz RLOIHLNSPIPDDE-QAPCUYQASA-N 0 0 419.503 3.325 40 5 HGBBRN CC[C@@H](C(=O)N1CCc2ccccc21)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222540501 568763173 /nfs/dbraw/zinc/76/31/73/568763173.db2.gz OMGIACULOOMAHT-KRWDZBQOSA-N 0 0 417.487 3.037 40 5 HGBBRN Cc1cc(C)cc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000222569544 568763665 /nfs/dbraw/zinc/76/36/65/568763665.db2.gz YRVHBFGMDBYCLN-UHFFFAOYSA-N 0 0 405.476 3.397 40 5 HGBBRN CCc1nnc2sc(-c3cccc(NC(=O)COc4ccccc4[N+](=O)[O-])c3)nn12 ZINC000057316891 568826629 /nfs/dbraw/zinc/82/66/29/568826629.db2.gz KRLXYKIFWNLESA-UHFFFAOYSA-N 0 0 424.442 3.341 40 5 HGBBRN Cc1ccc(C)c(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 ZINC000218238326 568836746 /nfs/dbraw/zinc/83/67/46/568836746.db2.gz IZPQEXMOKPGXSN-UHFFFAOYSA-N 0 0 411.867 3.270 40 5 HGBBRN CS(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(Cl)c1 ZINC000218250052 568836968 /nfs/dbraw/zinc/83/69/68/568836968.db2.gz CRBTXMZMIOQQKH-UHFFFAOYSA-N 0 0 418.258 3.306 40 5 HGBBRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000003505394 568910396 /nfs/dbraw/zinc/91/03/96/568910396.db2.gz RMRQRWQPHLOTBV-UHFFFAOYSA-N 0 0 400.387 3.347 40 5 HGBBRN CC(C)(C)OC(=O)Cc1c(C(=O)OC(C)(C)C)nnn1-c1ccc([N+](=O)[O-])cc1 ZINC000003844467 568927282 /nfs/dbraw/zinc/92/72/82/568927282.db2.gz BWZFWIYKUMQHBK-UHFFFAOYSA-N 0 0 404.423 3.015 40 5 HGBBRN CCCC[C@H](c1nnnn1C(C)(C)C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000035313895 569030945 /nfs/dbraw/zinc/03/09/45/569030945.db2.gz RKXHIUUJEOBQEG-GOSISDBHSA-N 0 0 401.515 3.390 40 5 HGBBRN Cc1ccc(Cn2ccsc2=NC(=O)COC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000103078885 569050306 /nfs/dbraw/zinc/05/03/06/569050306.db2.gz LCGUNPHNDNUVGB-HNENSFHCSA-N 0 0 417.468 3.160 40 5 HGBBRN CCN1CCN(C(=O)c2cc3c4ccccc4n4c3c(n2)c2ccccc2c4=O)CC1 ZINC000062001268 569053790 /nfs/dbraw/zinc/05/37/90/569053790.db2.gz CRFOCNJGBPFDCQ-UHFFFAOYSA-N 0 0 410.477 3.370 40 5 biogenic HGBBRN O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)Nc1ccccc1N1CCCCC1 ZINC000006615706 569074218 /nfs/dbraw/zinc/07/42/18/569074218.db2.gz HTLVYMDAFQJWKR-UHFFFAOYSA-N 0 0 414.487 3.477 40 5 HGBBRN COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000042390661 569252708 /nfs/dbraw/zinc/25/27/08/569252708.db2.gz WUYIOEGHYPYDET-UHFFFAOYSA-N 0 0 413.430 3.103 40 5 HGBBRN Cc1nn(C(=O)c2ccccc2O)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)SC(=N)N2 ZINC000016958345 569268809 /nfs/dbraw/zinc/26/88/09/569268809.db2.gz RVAHGYUSMDBODJ-MRXNPFEDSA-N 0 0 409.427 3.276 40 5 HGBBRN O=C(Nc1ccccc1Br)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000017083307 569272987 /nfs/dbraw/zinc/27/29/87/569272987.db2.gz CCBWQNKUXPJCBX-UHFFFAOYSA-N 0 0 406.236 3.446 40 5 HGBBRN O=C(NC(=S)Nc1ccc(Cl)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000017092464 569273302 /nfs/dbraw/zinc/27/33/02/569273302.db2.gz WFKTZDVYXPNQAH-UHFFFAOYSA-N 0 0 420.878 3.212 40 5 HGBBRN CCOC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224765461 569288557 /nfs/dbraw/zinc/28/85/57/569288557.db2.gz XOHLDNCCSIZRHR-UHFFFAOYSA-N 0 0 406.460 3.278 40 5 HGBBRN CCOC(=O)CN(c1cccc(OCC)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224788167 569289567 /nfs/dbraw/zinc/28/95/67/569289567.db2.gz RFEKXKCADSBBSF-UHFFFAOYSA-N 0 0 422.459 3.060 40 5 HGBBRN CCOC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225032106 569323815 /nfs/dbraw/zinc/32/38/15/569323815.db2.gz DQUBCXVVBSOHLW-UHFFFAOYSA-N 0 0 416.814 3.146 40 5 HGBBRN CCOC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225074645 569324007 /nfs/dbraw/zinc/32/40/07/569324007.db2.gz UQGJAZFDOJQNNZ-UHFFFAOYSA-N 0 0 422.459 3.060 40 5 HGBBRN Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000007881676 569338146 /nfs/dbraw/zinc/33/81/46/569338146.db2.gz PBGIHPULAAXAFD-DOTOQJQBSA-N 0 0 410.426 3.379 40 5 HGBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000008475178 569341243 /nfs/dbraw/zinc/34/12/43/569341243.db2.gz LUJIMWGCFXTWHF-UHFFFAOYSA-N 0 0 401.378 3.448 40 5 HGBBRN COc1ccccc1N1CCN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020238362 569349513 /nfs/dbraw/zinc/34/95/13/569349513.db2.gz OWAODHGGNDFKCG-UHFFFAOYSA-N 0 0 401.488 3.185 40 5 HGBBRN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000010010426 569394875 /nfs/dbraw/zinc/39/48/75/569394875.db2.gz WMGHZJJCBHNBFB-UHFFFAOYSA-N 0 0 402.838 3.169 40 5 HGBBRN COC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000008729470 571107025 /nfs/dbraw/zinc/10/70/25/571107025.db2.gz NCNUMWRCJOKZFM-UHFFFAOYSA-N 0 0 419.242 3.270 40 5 HGBBRN Cc1cccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 ZINC000006967175 524188842 /nfs/dbraw/zinc/18/88/42/524188842.db2.gz PPVBUDMNMRYNIA-UHFFFAOYSA-N 0 0 418.906 3.394 40 5 HGBBRN COc1ccc(-c2nnc(CN(C)C(=O)c3cccc([N+](=O)[O-])c3C)o2)cc1OC ZINC000408714863 557751978 /nfs/dbraw/zinc/75/19/78/557751978.db2.gz XVWKVXHFAHWZQV-UHFFFAOYSA-N 0 0 412.402 3.243 40 5 HGBBRN O=C(c1cccc([N+](=O)[O-])c1)N1NC(C(F)(F)F)=C[C@@]1(O)c1ccc([N+](=O)[O-])cc1 ZINC000013590481 558845810 /nfs/dbraw/zinc/84/58/10/558845810.db2.gz LJRAENNWACDRLS-MRXNPFEDSA-N 0 0 424.291 3.113 40 5 HGBBRN NC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(I)cc3)oc21 ZINC000073641741 558849699 /nfs/dbraw/zinc/84/96/99/558849699.db2.gz LQEWFQANKSLJPU-UHFFFAOYSA-N 0 0 409.139 3.107 40 5 HGBBRN Cc1ccc([C@@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1 ZINC000022375261 558988477 /nfs/dbraw/zinc/98/84/77/558988477.db2.gz AHQCVBPIGWSOOT-MRXNPFEDSA-N 0 0 419.503 3.163 40 5 HGBBRN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccccc1F)S(C)(=O)=O ZINC000220311717 559053058 /nfs/dbraw/zinc/05/30/58/559053058.db2.gz POPTYJGFRWLEFE-SNVBAGLBSA-N 0 0 415.830 3.181 40 5 HGBBRN COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1=O ZINC000205773267 559053951 /nfs/dbraw/zinc/05/39/51/559053951.db2.gz AHSMHTMSSGBQBI-OVCLIPMQSA-N 0 0 418.383 3.073 40 5 HGBBRN Cc1cccc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1C ZINC000220382376 559068357 /nfs/dbraw/zinc/06/83/57/559068357.db2.gz ZOOOCKGKCVYUMN-OAHLLOKOSA-N 0 0 405.476 3.313 40 5 HGBBRN CSc1cccc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000220387185 559068463 /nfs/dbraw/zinc/06/84/63/559068463.db2.gz VXWYIHVNVQTYFV-ZDUSSCGKSA-N 0 0 423.516 3.418 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1)S(C)(=O)=O ZINC000220395876 559069002 /nfs/dbraw/zinc/06/90/02/559069002.db2.gz KCGSHTXKDHTCCN-KBPBESRZSA-N 0 0 423.466 3.074 40 5 HGBBRN Cc1nn(C)c(C)c1N1C(=O)c2cccc3c2c(cc([N+](=O)[O-])c3N2CCCC2)C1=O ZINC000408538980 559216695 /nfs/dbraw/zinc/21/66/95/559216695.db2.gz SJKWQEPYGICUKM-UHFFFAOYSA-N 0 0 419.441 3.499 40 5 HGBBRN COc1ccc(NC(=O)CSc2nc(=O)c3c(C)csc3[nH]2)c([N+](=O)[O-])c1 ZINC000408597837 559221455 /nfs/dbraw/zinc/22/14/55/559221455.db2.gz FDKHTGNBJZUUPH-UHFFFAOYSA-N 0 0 406.445 3.353 40 5 HGBBRN O=C(NC(=S)Nc1ccc(Cl)cn1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000408628517 559222207 /nfs/dbraw/zinc/22/22/07/559222207.db2.gz UJPLKVYPGHBXIZ-UHFFFAOYSA-N 0 0 405.867 3.370 40 5 HGBBRN COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000408645938 559223180 /nfs/dbraw/zinc/22/31/80/559223180.db2.gz VDTKINAOUGGECO-NSHDSACASA-N 0 0 419.821 3.257 40 5 HGBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)c1 ZINC000408646685 559223212 /nfs/dbraw/zinc/22/32/12/559223212.db2.gz UCIOMGMLVKKTTH-NSHDSACASA-N 0 0 419.821 3.257 40 5 HGBBRN C[C@@H](OC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)C(=O)c1ccc(Cl)cc1 ZINC000408663018 559223609 /nfs/dbraw/zinc/22/36/09/559223609.db2.gz YBOYHXZYZZGZSW-OCCSQVGLSA-N 0 0 416.817 3.416 40 5 HGBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000408682141 559224476 /nfs/dbraw/zinc/22/44/76/559224476.db2.gz JAINSYHYUMBMNJ-IRXDYDNUSA-N 0 0 405.410 3.103 40 5 HGBBRN Cc1ccc(C)c(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000408705366 559225101 /nfs/dbraw/zinc/22/51/01/559225101.db2.gz DCRGMLHYHBUEBF-UHFFFAOYSA-N 0 0 405.476 3.397 40 5 HGBBRN COc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)cc1 ZINC000004996853 559225274 /nfs/dbraw/zinc/22/52/74/559225274.db2.gz FWJWVNBZOHXLAU-UHFFFAOYSA-N 0 0 413.459 3.438 40 5 HGBBRN Cc1ccc(C(=O)N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)NCc2ccncc2)cc1 ZINC000005021858 559229392 /nfs/dbraw/zinc/22/93/92/559229392.db2.gz VOPYCCWHNUIXFA-STZFKDTASA-N 0 0 416.437 3.386 40 5 HGBBRN COc1cc(NC(C)=O)c(Cl)cc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409180551 559243655 /nfs/dbraw/zinc/24/36/55/559243655.db2.gz WWKFHBVLKNLDJN-UHFFFAOYSA-N 0 0 406.778 3.255 40 5 HGBBRN CCc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000005477451 560593163 /nfs/dbraw/zinc/59/31/63/560593163.db2.gz MCQGZVQRRFTPLN-SFHVURJKSA-N 0 0 412.402 3.309 40 5 HGBBRN COc1ccc(NC(=O)Cn2nc(COc3ccccc3)oc2=S)c([N+](=O)[O-])c1 ZINC000409174247 560686875 /nfs/dbraw/zinc/68/68/75/560686875.db2.gz MITIAHANJKGUFW-UHFFFAOYSA-N 0 0 416.415 3.340 40 5 HGBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000409235770 560701211 /nfs/dbraw/zinc/70/12/11/560701211.db2.gz QLCUGCICXURCGU-WKZRCPIQSA-N 0 0 420.425 3.245 40 5 HGBBRN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4cccs4)no3)C2)c1 ZINC000013083987 560792684 /nfs/dbraw/zinc/79/26/84/560792684.db2.gz NIUKWQPWMLYKBH-GFCCVEGCSA-N 0 0 420.472 3.275 40 5 HGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)Nc2nc(-c3ccc(Cl)cc3)nn21 ZINC000014607334 560847004 /nfs/dbraw/zinc/84/70/04/560847004.db2.gz HTZJRFCWLNQYEC-AWEZNQCLSA-N 0 0 412.793 3.029 40 5 HGBBRN CC(C)(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000104182695 560849314 /nfs/dbraw/zinc/84/93/14/560849314.db2.gz CCJAFPLCUVDEPL-UHFFFAOYSA-N 0 0 404.291 3.480 40 5 HGBBRN COc1ccc(-c2noc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)c(OC)c1 ZINC000218121980 568475270 /nfs/dbraw/zinc/47/52/70/568475270.db2.gz JFSXCRZDIWZRLU-UHFFFAOYSA-N 0 0 418.793 3.245 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000019935699 568585964 /nfs/dbraw/zinc/58/59/64/568585964.db2.gz STZOQBIUWNNZBA-UHFFFAOYSA-N 0 0 407.423 3.079 40 5 HGBBRN COc1cc(CN(C)C(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1OC ZINC000225989590 568690348 /nfs/dbraw/zinc/69/03/48/568690348.db2.gz MCSQCHXWIRALMM-UHFFFAOYSA-N 0 0 400.431 3.311 40 5 HGBBRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222587522 568763380 /nfs/dbraw/zinc/76/33/80/568763380.db2.gz CJVVURZPAXFYSW-CQSZACIVSA-N 0 0 419.478 3.130 40 5 HGBBRN Cc1cc(OCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)ccc1[N+](=O)[O-] ZINC000022257337 568765651 /nfs/dbraw/zinc/76/56/51/568765651.db2.gz OYJZDSBOUWHYHY-UHFFFAOYSA-N 0 0 402.794 3.302 40 5 HGBBRN Cc1cccc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C ZINC000222631742 568766245 /nfs/dbraw/zinc/76/62/45/568766245.db2.gz KPJJKTINXJLJBI-UHFFFAOYSA-N 0 0 405.476 3.397 40 5 HGBBRN Cc1cc(C)c(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c(C)c1 ZINC000022393079 568767194 /nfs/dbraw/zinc/76/71/94/568767194.db2.gz JTTRXRHWYVPMCQ-UHFFFAOYSA-N 0 0 405.476 3.233 40 5 HGBBRN CC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225576036 568774547 /nfs/dbraw/zinc/77/45/47/568774547.db2.gz RNAIXPVGIQJPFL-HNNXBMFYSA-N 0 0 401.438 3.218 40 5 HGBBRN O=C(COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000015161866 568818389 /nfs/dbraw/zinc/81/83/89/568818389.db2.gz QYGBIVDVJZVULO-UHFFFAOYSA-N 0 0 409.148 3.305 40 5 HGBBRN CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000005842225 568825535 /nfs/dbraw/zinc/82/55/35/568825535.db2.gz YHYNHQFUESPEBC-UHFFFAOYSA-N 0 0 416.459 3.081 40 5 HGBBRN Cc1cc(C)cc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 ZINC000218240602 568836729 /nfs/dbraw/zinc/83/67/29/568836729.db2.gz JWBPTOMWMLOBQY-UHFFFAOYSA-N 0 0 411.867 3.270 40 5 HGBBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000223023243 568909468 /nfs/dbraw/zinc/90/94/68/568909468.db2.gz GXYRHYCGFPYGKZ-UXHICEINSA-N 0 0 423.498 3.399 40 5 HGBBRN COc1ccc(-c2noc(CN(C)C(=O)c3cccc([N+](=O)[O-])c3C)n2)c(OC)c1 ZINC000217878482 568917089 /nfs/dbraw/zinc/91/70/89/568917089.db2.gz YBWARGPZPXVSJA-UHFFFAOYSA-N 0 0 412.402 3.243 40 5 HGBBRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223505464 569017526 /nfs/dbraw/zinc/01/75/26/569017526.db2.gz UOWJQXJXIKAXAA-MRXNPFEDSA-N 0 0 415.515 3.381 40 5 HGBBRN Cc1ccc(-c2noc(CN(C)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2)cc1 ZINC000223772241 569031579 /nfs/dbraw/zinc/03/15/79/569031579.db2.gz NQIKZOYUUXLJFM-UHFFFAOYSA-N 0 0 402.432 3.082 40 5 HGBBRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223845955 569031848 /nfs/dbraw/zinc/03/18/48/569031848.db2.gz UXQNCTKXIHOACR-OAHLLOKOSA-N 0 0 401.438 3.220 40 5 HGBBRN COCCNC(=O)[C@H](C)Oc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13 ZINC000006624448 569061105 /nfs/dbraw/zinc/06/11/05/569061105.db2.gz NBABOBUUKDUTSG-AWEZNQCLSA-N 0 0 415.449 3.122 40 5 biogenic HGBBRN COc1cc(OC)cc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000017091404 569274404 /nfs/dbraw/zinc/27/44/04/569274404.db2.gz DROHUQQGLIHPGX-UHFFFAOYSA-N 0 0 418.456 3.349 40 5 HGBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O ZINC000008475185 569341250 /nfs/dbraw/zinc/34/12/50/569341250.db2.gz RUIUGFGJIFTCSJ-UHFFFAOYSA-N 0 0 401.806 3.345 40 5 HGBBRN CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000008475168 569341263 /nfs/dbraw/zinc/34/12/63/569341263.db2.gz NIEYKXFSLDKLSN-UXHICEINSA-N 0 0 419.437 3.494 40 5 HGBBRN Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2C)cc1[N+](=O)[O-] ZINC000033738192 569351227 /nfs/dbraw/zinc/35/12/27/569351227.db2.gz VKIQWGGGCPFOJK-UHFFFAOYSA-N 0 0 413.459 3.342 40 5 HGBBRN CCOC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000113896525 569393417 /nfs/dbraw/zinc/39/34/17/569393417.db2.gz FVJBOTJRSFLMEB-UHFFFAOYSA-N 0 0 406.460 3.477 40 5 HGBBRN CCOC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113895146 569393427 /nfs/dbraw/zinc/39/34/27/569393427.db2.gz JHESUTSNZPYRGH-UHFFFAOYSA-N 0 0 412.851 3.315 40 5 HGBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3ccc([N+](=O)[O-])cc3)nc21 ZINC000010010671 569395066 /nfs/dbraw/zinc/39/50/66/569395066.db2.gz MKRSPBUCTTVSBV-UHFFFAOYSA-N 0 0 404.360 3.139 40 5 HGBBRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000010119890 569395183 /nfs/dbraw/zinc/39/51/83/569395183.db2.gz NKJMHRCZTJOABM-UHFFFAOYSA-N 0 0 410.415 3.330 40 5 HGBBRN Cc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cccc1[N+](=O)[O-] ZINC000007956679 569408369 /nfs/dbraw/zinc/40/83/69/569408369.db2.gz ZFHMAFQSSSGICF-CYBMUJFWSA-N 0 0 409.489 3.004 40 5 HGBBRN O=C(Nc1ccccc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1Br ZINC000032115061 527427495 /nfs/dbraw/zinc/42/74/95/527427495.db2.gz YWROIBNHFZXEJB-UHFFFAOYSA-N 0 0 406.236 3.446 40 5 HGBBRN Cc1c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000408554524 557444429 /nfs/dbraw/zinc/44/44/29/557444429.db2.gz SVUBWZWBNLFBMW-AWEZNQCLSA-N 0 0 413.455 3.362 40 5 HGBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408689002 557705726 /nfs/dbraw/zinc/70/57/26/557705726.db2.gz XKIZUHKKVZDWAF-OALUTQOASA-N 0 0 407.426 3.327 40 5 HGBBRN Cc1c(N(CC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220023159 558825365 /nfs/dbraw/zinc/82/53/65/558825365.db2.gz MHMPZVHDAWSZFI-UHFFFAOYSA-N 0 0 405.476 3.431 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N1CCCc2ccccc21)S(C)(=O)=O ZINC000220392442 559068925 /nfs/dbraw/zinc/06/89/25/559068925.db2.gz GROYQMUSOMDFEH-HNNXBMFYSA-N 0 0 417.487 3.037 40 5 HGBBRN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220406654 559074123 /nfs/dbraw/zinc/07/41/23/559074123.db2.gz BOJNKIRHPJQZBS-GFCCVEGCSA-N 0 0 411.867 3.350 40 5 HGBBRN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000408640161 559222981 /nfs/dbraw/zinc/22/29/81/559222981.db2.gz HYGOYBDYCJXPIN-HNNXBMFYSA-N 0 0 411.414 3.072 40 5 HGBBRN CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000004981363 559223816 /nfs/dbraw/zinc/22/38/16/559223816.db2.gz XFFUCANXYDJCLH-GOSISDBHSA-N 0 0 411.418 3.188 40 5 HGBBRN CCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1NC(=O)CC ZINC000408699507 559224427 /nfs/dbraw/zinc/22/44/27/559224427.db2.gz XHLYCKDLNDQTCK-UHFFFAOYSA-N 0 0 407.448 3.451 40 5 HGBBRN O=C1S/C(=C\c2ccc(N3CCOCC3)o2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000409014256 559237157 /nfs/dbraw/zinc/23/71/57/559237157.db2.gz HUYOTOIXVOLZRC-WJDWOHSUSA-N 0 0 415.427 3.261 40 5 HGBBRN CC1=NN(C(=O)c2cccc(Br)c2)[C@@](O)(c2ccc([N+](=O)[O-])cc2)C1 ZINC000005232410 560548341 /nfs/dbraw/zinc/54/83/41/560548341.db2.gz SQEHZCPXWDYZGV-KRWDZBQOSA-N 0 0 404.220 3.424 40 5 HGBBRN N=C1S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1c1ccc2c(c1)OCO2 ZINC000034107844 560569687 /nfs/dbraw/zinc/56/96/87/560569687.db2.gz ZXCXQNLVQSUXSL-MJRCLDISSA-N 0 0 413.367 3.108 40 5 HGBBRN O=C(CSc1nnc(CNc2ccc(F)cc2)o1)Nc1ccccc1[N+](=O)[O-] ZINC000004996630 560619546 /nfs/dbraw/zinc/61/95/46/560619546.db2.gz PUNKEODMJKGVKK-UHFFFAOYSA-N 0 0 403.395 3.460 40 5 HGBBRN CCOC(=O)N1CCN(C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000408907194 560652152 /nfs/dbraw/zinc/65/21/52/560652152.db2.gz MHBMTCBCHNYBMP-CAPFRKAQSA-N 0 0 409.442 3.436 40 5 HGBBRN COC(=O)c1ccc(/C=C2/SC(=O)N(CNc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408972791 560660814 /nfs/dbraw/zinc/66/08/14/560660814.db2.gz FRZGDECWTTUTHB-CXUHLZMHSA-N 0 0 413.411 3.487 40 5 HGBBRN COc1ccc(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1 ZINC000409050865 560669969 /nfs/dbraw/zinc/66/99/69/560669969.db2.gz BPVWHGMMSJNHMR-UHFFFAOYSA-N 0 0 413.430 3.103 40 5 HGBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1 ZINC000409097901 560676281 /nfs/dbraw/zinc/67/62/81/560676281.db2.gz NWDUYLAQOSOUEF-OVCLIPMQSA-N 0 0 414.805 3.088 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000409409559 560722795 /nfs/dbraw/zinc/72/27/95/560722795.db2.gz HYSGRCCJSWHRQF-LBPRGKRZSA-N 0 0 411.867 3.350 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000010369093 560818981 /nfs/dbraw/zinc/81/89/81/560818981.db2.gz GYOHQJKRVVXHCS-UHFFFAOYSA-N 0 0 415.830 3.100 40 5 HGBBRN CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NN1C ZINC000005716825 560828378 /nfs/dbraw/zinc/82/83/78/560828378.db2.gz XBRVHLCGBXQICP-INIZCTEOSA-N 0 0 403.826 3.080 40 5 HGBBRN COc1cc(OCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ccc1[N+](=O)[O-] ZINC000219822789 568498726 /nfs/dbraw/zinc/49/87/26/568498726.db2.gz CIRWKMRXKBORSU-UHFFFAOYSA-N 0 0 419.865 3.293 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1ccc(Cl)cc1)S(C)(=O)=O ZINC000220379876 568505389 /nfs/dbraw/zinc/50/53/89/568505389.db2.gz LREWHNFMLWIICZ-GFCCVEGCSA-N 0 0 411.867 3.350 40 5 HGBBRN Cc1c(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000019935703 568585670 /nfs/dbraw/zinc/58/56/70/568585670.db2.gz XBJLUTBUFOXAJD-UHFFFAOYSA-N 0 0 407.423 3.079 40 5 HGBBRN CC1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000020417610 568604795 /nfs/dbraw/zinc/60/47/95/568604795.db2.gz PMBMEZQZINPPJB-UHFFFAOYSA-N 0 0 417.487 3.049 40 5 HGBBRN CCN(CC)S(=O)(=O)c1cc2c(cc1C)NC(=O)c1ccc([N+](=O)[O-])cc1O2 ZINC000015084203 568749927 /nfs/dbraw/zinc/74/99/27/568749927.db2.gz QVJWTNUPAGJRJR-UHFFFAOYSA-N 0 0 405.432 3.292 40 5 HGBBRN Cc1cccc(CNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000222377586 568752409 /nfs/dbraw/zinc/75/24/09/568752409.db2.gz XTSADGAEPSGRNY-UHFFFAOYSA-N 0 0 419.503 3.074 40 5 HGBBRN CCOc1cccc(NC(=O)[C@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000222527536 568761727 /nfs/dbraw/zinc/76/17/27/568761727.db2.gz MCNKCRPYIXFXTF-SFHVURJKSA-N 0 0 421.475 3.177 40 5 HGBBRN Cc1ccccc1N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000222556267 568763331 /nfs/dbraw/zinc/76/33/31/568763331.db2.gz DGJFQSCCOLENCM-UHFFFAOYSA-N 0 0 405.476 3.397 40 5 HGBBRN Cc1ccc(C)c(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000222683647 568767857 /nfs/dbraw/zinc/76/78/57/568767857.db2.gz JSDYVFVLQGQHBX-UHFFFAOYSA-N 0 0 405.476 3.397 40 5 HGBBRN COc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NC(C)C)c1 ZINC000225652149 568778138 /nfs/dbraw/zinc/77/81/38/568778138.db2.gz SFJIBGJUMDQECG-INIZCTEOSA-N 0 0 413.474 3.088 40 5 HGBBRN COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000057333382 568827083 /nfs/dbraw/zinc/82/70/83/568827083.db2.gz TUCPIUXUJPYQHZ-UHFFFAOYSA-N 0 0 419.821 3.124 40 5 HGBBRN COc1ccc(-c2nn3c(nnc3-c3c(C)nc4ccccn43)s2)cc1[N+](=O)[O-] ZINC000227143017 568827980 /nfs/dbraw/zinc/82/79/80/568827980.db2.gz ZWZXCRGKSNSUOR-UHFFFAOYSA-N 0 0 407.415 3.393 40 5 HGBBRN Cc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c(C)c1 ZINC000218236172 568836753 /nfs/dbraw/zinc/83/67/53/568836753.db2.gz KRCPOIKDUDSHNY-UHFFFAOYSA-N 0 0 411.867 3.270 40 5 HGBBRN CC(C)C(=O)Nc1cccc(NC(=O)COc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000032114723 568945473 /nfs/dbraw/zinc/94/54/73/568945473.db2.gz WKLIQIGHRITOMQ-UHFFFAOYSA-N 0 0 402.363 3.115 40 5 HGBBRN CC(C)CC(=O)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000016575023 569058913 /nfs/dbraw/zinc/05/89/13/569058913.db2.gz HOFSPRXMTRIENO-UHFFFAOYSA-N 0 0 418.441 3.183 40 5 HGBBRN CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224355360 569059675 /nfs/dbraw/zinc/05/96/75/569059675.db2.gz NTQNWAAOAPVYGV-GOSISDBHSA-N 0 0 401.438 3.220 40 5 HGBBRN CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OCC)cc1 ZINC000224600745 569072523 /nfs/dbraw/zinc/07/25/23/569072523.db2.gz AVGQDUWUTFUOPW-UHFFFAOYSA-N 0 0 422.459 3.060 40 5 HGBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000138967984 569224187 /nfs/dbraw/zinc/22/41/87/569224187.db2.gz WCRUBDGPOXDMJO-OALUTQOASA-N 0 0 407.426 3.327 40 5 HGBBRN CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000017090887 569273294 /nfs/dbraw/zinc/27/32/94/569273294.db2.gz QGNHXBTYBQTPAQ-UHFFFAOYSA-N 0 0 416.865 3.477 40 5 HGBBRN O=C(COc1ccccc1)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br ZINC000017088394 569273390 /nfs/dbraw/zinc/27/33/90/569273390.db2.gz UMZIBEHOVSKXIY-UHFFFAOYSA-N 0 0 410.249 3.249 40 5 HGBBRN Cc1nc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1Br ZINC000017088160 569274125 /nfs/dbraw/zinc/27/41/25/569274125.db2.gz HTJFHWAMZNJXKL-UHFFFAOYSA-N 0 0 409.265 3.496 40 5 HGBBRN CCCC[C@H](CC)CNC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224819586 569290456 /nfs/dbraw/zinc/29/04/56/569290456.db2.gz OULQQPYIGFIRQO-INIZCTEOSA-N 0 0 413.540 3.474 40 5 HGBBRN Cc1c(N(CCCC(=O)NCC2CCCCC2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000224862453 569293314 /nfs/dbraw/zinc/29/33/14/569293314.db2.gz KSFRPFKCWTXSHS-UHFFFAOYSA-N 0 0 411.524 3.146 40 5 HGBBRN COc1cc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(OC)cc1Cl ZINC000225092974 569325324 /nfs/dbraw/zinc/32/53/24/569325324.db2.gz JLQFCHFNDHZTBI-UHFFFAOYSA-N 0 0 400.840 3.399 40 5 HGBBRN O=C(CCC(=O)OCC(=O)Nc1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1 ZINC000008416350 569340661 /nfs/dbraw/zinc/34/06/61/569340661.db2.gz NVPNJOHBKOPLJD-UHFFFAOYSA-N 0 0 405.794 3.149 40 5 HGBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 ZINC000008475193 569341273 /nfs/dbraw/zinc/34/12/73/569341273.db2.gz OYYQYSNQLODZIR-UIAACRFSSA-N 0 0 419.437 3.349 40 5 HGBBRN COc1cc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc(OC)c1OC ZINC000009062505 569342133 /nfs/dbraw/zinc/34/21/33/569342133.db2.gz OERLTDJEFHQXKH-UHFFFAOYSA-N 0 0 416.415 3.391 40 5 HGBBRN Cc1ccc(Cl)cc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000010434360 569344393 /nfs/dbraw/zinc/34/43/93/569344393.db2.gz QZNDKCGNWAWEMT-UHFFFAOYSA-N 0 0 411.867 3.270 40 5 HGBBRN Cn1c(CNC(=O)c2ccccc2F)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000107755785 569352940 /nfs/dbraw/zinc/35/29/40/569352940.db2.gz FIXYRMZYJPTYMF-UHFFFAOYSA-N 0 0 401.423 3.085 40 5 HGBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OC)c([N+](=O)[O-])c3)C2=O)o1 ZINC000009260166 569392098 /nfs/dbraw/zinc/39/20/98/569392098.db2.gz LBAUGCQJIGIYFZ-OVCLIPMQSA-N 0 0 418.383 3.220 40 5 HGBBRN O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000009542044 569393506 /nfs/dbraw/zinc/39/35/06/569393506.db2.gz IMYUYKGIOSPTFX-UHFFFAOYSA-N 0 0 413.415 3.075 40 5 HGBBRN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000010010435 569394883 /nfs/dbraw/zinc/39/48/83/569394883.db2.gz JUIXEMYYRYXTPL-UHFFFAOYSA-N 0 0 416.865 3.477 40 5 HGBBRN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000010010425 569394951 /nfs/dbraw/zinc/39/49/51/569394951.db2.gz JOPKACQQOCCJHU-UHFFFAOYSA-N 0 0 402.838 3.169 40 5 HGBBRN CC(C)(C)c1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000010338953 569395676 /nfs/dbraw/zinc/39/56/76/569395676.db2.gz YIHWCTCNCNSDQC-UHFFFAOYSA-N 0 0 405.476 3.297 40 5 HGBBRN C[C@@H]1CCCN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)C1 ZINC000010541179 569396577 /nfs/dbraw/zinc/39/65/77/569396577.db2.gz DTLDOTMONPTIDW-MRXNPFEDSA-N 0 0 417.487 3.049 40 5 HGBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000225509770 569403648 /nfs/dbraw/zinc/40/36/48/569403648.db2.gz MUYBLGGRTUKJDG-ZDUSSCGKSA-N 0 0 423.878 3.288 40 5 HGBBRN COc1ccc(Nc2cc(-c3cccnc3)nc(NC3CCCC3)n2)c([N+](=O)[O-])c1 ZINC000329002189 569423299 /nfs/dbraw/zinc/42/32/99/569423299.db2.gz KGKRYGSMGCXCLV-UHFFFAOYSA-N 0 0 406.446 3.397 40 5 HGBBRN O=C(Oc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000004614993 132280118 /nfs/dbraw/zinc/28/01/18/132280118.db2.gz DVHGZBGRWZKJSX-UHFFFAOYSA-N 0 0 407.220 3.413 40 5 HGBBRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc2ccc(N3CCOCC3)cc2s1 ZINC000006423004 132310845 /nfs/dbraw/zinc/31/08/45/132310845.db2.gz DEUAXDMIOXDXDZ-UHFFFAOYSA-N 0 0 414.443 3.059 40 5 HGBBRN Cc1c(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cccc1[N+](=O)[O-] ZINC000044949282 525862177 /nfs/dbraw/zinc/86/21/77/525862177.db2.gz JPXUXBQXQNHGKV-UHFFFAOYSA-N 0 0 403.460 3.081 40 5 HGBBRN COc1ccc(Cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000005788804 557674584 /nfs/dbraw/zinc/67/45/84/557674584.db2.gz CFRBAHGSBVBIMK-UHFFFAOYSA-N 0 0 400.416 3.308 40 5 HGBBRN COc1ccccc1/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1N1CCOCC1 ZINC000022762168 557814154 /nfs/dbraw/zinc/81/41/54/557814154.db2.gz WPJPEZBECFMAEQ-MRCUWXFGSA-N 0 0 412.471 3.334 40 5 HGBBRN O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000004557980 558678722 /nfs/dbraw/zinc/67/87/22/558678722.db2.gz PTYGJPROXBOJRR-LLVKDONJSA-N 0 0 410.268 3.477 40 5 HGBBRN O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1ccc(Br)c([N+](=O)[O-])c1 ZINC000015263161 558729870 /nfs/dbraw/zinc/72/98/70/558729870.db2.gz HIBVFZQEWDNZFV-XGICHPGQSA-N 0 0 417.171 3.431 40 5 HGBBRN Cc1cc(C)cc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000220378805 559065882 /nfs/dbraw/zinc/06/58/82/559065882.db2.gz RUAGLRMSLYNENX-OAHLLOKOSA-N 0 0 405.476 3.313 40 5 HGBBRN Cc1c(Cl)cccc1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220406819 559074117 /nfs/dbraw/zinc/07/41/17/559074117.db2.gz RUVWRAJWVDGVDL-GFCCVEGCSA-N 0 0 411.867 3.350 40 5 HGBBRN 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ZINC000004130389 560599633 /nfs/dbraw/zinc/59/96/33/560599633.db2.gz KCCYKPGMMONUKY-UHFFFAOYSA-N 0 0 416.438 3.205 40 5 HGBBRN Cn1c2c(s/c1=N\C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CCc1ccccc1-2 ZINC000409207720 560691473 /nfs/dbraw/zinc/69/14/73/560691473.db2.gz YFMMVFKNCHNNCI-VXPUYCOJSA-N 0 0 410.411 3.410 40 5 HGBBRN CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000409271122 560705083 /nfs/dbraw/zinc/70/50/83/560705083.db2.gz JYGIZVZKGAOVMN-UHFFFAOYSA-N 0 0 418.258 3.306 40 5 HGBBRN O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000014000270 560837157 /nfs/dbraw/zinc/83/71/57/560837157.db2.gz SSQJDLMDMPWGFJ-CYBMUJFWSA-N 0 0 403.822 3.409 40 5 HGBBRN COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(F)(F)F)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000049113250 568446966 /nfs/dbraw/zinc/44/69/66/568446966.db2.gz INXXHECQFQBZDC-HNNXBMFYSA-N 0 0 414.336 3.108 40 5 HGBBRN CCOC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1Cl ZINC000219826976 568498844 /nfs/dbraw/zinc/49/88/44/568498844.db2.gz XLYXLYSWNKQOLG-UHFFFAOYSA-N 0 0 408.794 3.451 40 5 HGBBRN Cc1c(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220028718 568501336 /nfs/dbraw/zinc/50/13/36/568501336.db2.gz CEVVJQJDPGWBCS-UHFFFAOYSA-N 0 0 415.830 3.100 40 5 HGBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000000837651 568501845 /nfs/dbraw/zinc/50/18/45/568501845.db2.gz VQHMHUDCXQAMHA-CYBMUJFWSA-N 0 0 402.790 3.027 40 5 HGBBRN CS(=O)(=O)N(CCCC(=O)NC1CCCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000222365115 568751230 /nfs/dbraw/zinc/75/12/30/568751230.db2.gz IZQBGLVFDOJDKC-UHFFFAOYSA-N 0 0 411.524 3.370 40 5 HGBBRN CCOc1ccc(NC(=O)[C@@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000222515257 568761275 /nfs/dbraw/zinc/76/12/75/568761275.db2.gz MKVDEQYKECEJQD-GOSISDBHSA-N 0 0 421.475 3.177 40 5 HGBBRN CCc1ccc(NC(=O)[C@@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000222517024 568761289 /nfs/dbraw/zinc/76/12/89/568761289.db2.gz JNKITWCTECJSSM-GOSISDBHSA-N 0 0 405.476 3.341 40 5 HGBBRN CCOc1cccc(NC(=O)[C@@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000222527465 568761781 /nfs/dbraw/zinc/76/17/81/568761781.db2.gz MCNKCRPYIXFXTF-GOSISDBHSA-N 0 0 421.475 3.177 40 5 HGBBRN COc1cccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000222592405 568764847 /nfs/dbraw/zinc/76/48/47/568764847.db2.gz UMUBZWASLJYJBC-UHFFFAOYSA-N 0 0 421.475 3.097 40 5 HGBBRN CCc1ccccc1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222683972 568767860 /nfs/dbraw/zinc/76/78/60/568767860.db2.gz HURLHJAQMLFHPF-UHFFFAOYSA-N 0 0 405.476 3.342 40 5 HGBBRN CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)C1CCCC1 ZINC000022534587 568769579 /nfs/dbraw/zinc/76/95/79/568769579.db2.gz GXJZUNCHIXYPEV-UHFFFAOYSA-N 0 0 417.487 3.191 40 5 HGBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O ZINC000005947944 568831398 /nfs/dbraw/zinc/83/13/98/568831398.db2.gz LCVQIGKRXCZMTG-JASJWYONSA-N 0 0 415.427 3.373 40 5 HGBBRN Cc1cccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1C ZINC000218280788 568837410 /nfs/dbraw/zinc/83/74/10/568837410.db2.gz XKICTZOKYHVCAY-UHFFFAOYSA-N 0 0 411.867 3.270 40 5 HGBBRN CC(C)[C@@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057670641 568857685 /nfs/dbraw/zinc/85/76/85/568857685.db2.gz IAYOTGBNDZXZGI-NRFANRHFSA-N 0 0 421.505 3.149 40 5 HGBBRN Cc1ccc(C2=N/C(=C/c3ccc(I)o3)C(=O)O2)cc1[N+](=O)[O-] ZINC000001435628 568939944 /nfs/dbraw/zinc/93/99/44/568939944.db2.gz SBPDMHVNOMEGDS-YRNVUSSQSA-N 0 0 424.150 3.445 40 5 HGBBRN O=C(Oc1cccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000004207932 568951459 /nfs/dbraw/zinc/95/14/59/568951459.db2.gz LXJDECQUUSHPCJ-QXUMQBBKSA-N 0 0 406.394 3.350 40 5 HGBBRN COc1ccc(Nc2cc(-c3ccncc3)nc(NC3CCCC3)n2)c([N+](=O)[O-])c1 ZINC000328965868 568970141 /nfs/dbraw/zinc/97/01/41/568970141.db2.gz CFVQDXRLPXNYLS-UHFFFAOYSA-N 0 0 406.446 3.397 40 5 HGBBRN Cc1c(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000015790655 569009493 /nfs/dbraw/zinc/00/94/93/569009493.db2.gz JTKNLQJVMHLKMW-UHFFFAOYSA-N 0 0 421.450 3.082 40 5 HGBBRN NC(=O)c1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCC2 ZINC000016385704 569040177 /nfs/dbraw/zinc/04/01/77/569040177.db2.gz ZXTFHTVGBBSQTF-UHFFFAOYSA-N 0 0 424.891 3.024 40 5 HGBBRN CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224518836 569070027 /nfs/dbraw/zinc/07/00/27/569070027.db2.gz ZRTOARCYDCCZCO-LJQANCHMSA-N 0 0 413.474 3.089 40 5 HGBBRN CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224714787 569284994 /nfs/dbraw/zinc/28/49/94/569284994.db2.gz LLIXPLWZZORGNN-UHFFFAOYSA-N 0 0 412.851 3.315 40 5 HGBBRN COC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224778916 569289055 /nfs/dbraw/zinc/28/90/55/569289055.db2.gz ZDZZVCIMOLEDHK-UHFFFAOYSA-N 0 0 412.851 3.233 40 5 HGBBRN COC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225036360 569323501 /nfs/dbraw/zinc/32/35/01/569323501.db2.gz ZZNFWHNKLFDQIG-UHFFFAOYSA-N 0 0 419.242 3.270 40 5 HGBBRN COC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225082631 569325120 /nfs/dbraw/zinc/32/51/20/569325120.db2.gz SBRCNMVNJSHGDG-UHFFFAOYSA-N 0 0 412.851 3.233 40 5 HGBBRN COC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225081895 569325122 /nfs/dbraw/zinc/32/51/22/569325122.db2.gz UOEYXZUAGIATNL-UHFFFAOYSA-N 0 0 412.851 3.233 40 5 HGBBRN CCC[C@@H](C)NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 ZINC000006945346 569335363 /nfs/dbraw/zinc/33/53/63/569335363.db2.gz GTSYVIGMSRQORR-OAHLLOKOSA-N 0 0 405.476 3.095 40 5 HGBBRN CCc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000008413033 569340378 /nfs/dbraw/zinc/34/03/78/569340378.db2.gz OGCYEVUPQHFHQV-UHFFFAOYSA-N 0 0 413.430 3.448 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc(OC(C)C)c1)S(C)(=O)=O ZINC000010328192 569343728 /nfs/dbraw/zinc/34/37/28/569343728.db2.gz SMHBNXSVZNXUHR-UHFFFAOYSA-N 0 0 421.475 3.095 40 5 HGBBRN CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccs1 ZINC000225143944 569364346 /nfs/dbraw/zinc/36/43/46/569364346.db2.gz WEGCMWSDFCBBCG-UHFFFAOYSA-N 0 0 404.853 3.068 40 5 HGBBRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225214697 569375039 /nfs/dbraw/zinc/37/50/39/569375039.db2.gz GAYJLBGVPQQRPJ-INIZCTEOSA-N 0 0 415.515 3.300 40 5 HGBBRN Cc1ccc(C(O)=C2[C@@H](c3cccc([N+](=O)[O-])c3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000008915415 569390878 /nfs/dbraw/zinc/39/08/78/569390878.db2.gz TUHGGHNGNPMCAZ-IIDMSEBBSA-N 0 0 423.347 3.007 40 5 HGBBRN CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000113888604 569393337 /nfs/dbraw/zinc/39/33/37/569393337.db2.gz YJYZMBSNHMZJSR-UHFFFAOYSA-N 0 0 412.851 3.315 40 5 HGBBRN COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)c1 ZINC000012173239 569399774 /nfs/dbraw/zinc/39/97/74/569399774.db2.gz GMCXMXPCTAFUJC-UHFFFAOYSA-N 0 0 416.415 3.393 40 5 HGBBRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000261362542 569413572 /nfs/dbraw/zinc/41/35/72/569413572.db2.gz KKRBTHLWCRRSSH-IBGZPJMESA-O 0 0 424.462 3.070 40 5 HGBBRN Cc1c(Nc2cc(-c3ccccn3)nc(N[C@@H](CO)C(C)C)n2)cccc1[N+](=O)[O-] ZINC000329071348 571305561 /nfs/dbraw/zinc/30/55/61/571305561.db2.gz ZOXVEYGKMXRREM-SFHVURJKSA-N 0 0 408.462 3.928 40 5 HGBBRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(-c2cccnc2)n1 ZINC000329066272 571306041 /nfs/dbraw/zinc/30/60/41/571306041.db2.gz XYLAIBAKGVNCKP-QGZVFWFLSA-N 0 0 412.425 3.758 40 5 HGBBRN CCc1nnc(-n2ccc3nc4ccn(-c5ccccc5Cl)c(=O)c4cc3c2=O)[nH]1 ZINC000040399132 522123712 /nfs/dbraw/zinc/12/37/12/522123712.db2.gz VHMMUNLHIUQPOO-UHFFFAOYSA-N 0 0 418.844 3.024 40 5 HGBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)cc1 ZINC000408565267 557463353 /nfs/dbraw/zinc/46/33/53/557463353.db2.gz BLUNMNIXBKWOIU-GOSISDBHSA-N 0 0 414.443 3.423 40 5 HGBBRN O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000004557982 558678706 /nfs/dbraw/zinc/67/87/06/558678706.db2.gz PTYGJPROXBOJRR-NSHDSACASA-N 0 0 410.268 3.477 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1c(C)cccc1C)S(C)(=O)=O ZINC000220378711 559065881 /nfs/dbraw/zinc/06/58/81/559065881.db2.gz KOZDMZROCKDSDC-OAHLLOKOSA-N 0 0 405.476 3.313 40 5 HGBBRN Cc1ccc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1 ZINC000220378393 559065917 /nfs/dbraw/zinc/06/59/17/559065917.db2.gz NGFGKTCFRKEVDM-HNNXBMFYSA-N 0 0 405.476 3.313 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NC1CCCCCCC1)S(C)(=O)=O ZINC000220391676 559068903 /nfs/dbraw/zinc/06/89/03/559068903.db2.gz ZLMLYVIHTDGCNX-HNNXBMFYSA-N 0 0 411.524 3.287 40 5 HGBBRN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C ZINC000220423348 559078700 /nfs/dbraw/zinc/07/87/00/559078700.db2.gz LDNVBOIYZCAQQL-HZPDHXFCSA-N 0 0 419.503 3.244 40 5 HGBBRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220622285 559174300 /nfs/dbraw/zinc/17/43/00/559174300.db2.gz MKRWNMDAOFWVEF-QGZVFWFLSA-N 0 0 421.475 3.095 40 5 HGBBRN CCOc1ccc(N([C@H](CC)C(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220671319 559176416 /nfs/dbraw/zinc/17/64/16/559176416.db2.gz IPPHJHFQNSCOMC-GOSISDBHSA-N 0 0 421.475 3.177 40 5 HGBBRN O=C(COc1ccc(Cl)cc1Cl)NCC(=O)OCc1ccccc1[N+](=O)[O-] ZINC000006591869 559211757 /nfs/dbraw/zinc/21/17/57/559211757.db2.gz VIEXBGNDGZFMJK-UHFFFAOYSA-N 0 0 413.213 3.140 40 5 HGBBRN CCN(CC)c1cc2c(cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)n(C)c(=O)n2C ZINC000408534281 559216693 /nfs/dbraw/zinc/21/66/93/559216693.db2.gz QCJWTCFKZADHJV-FMIVXFBMSA-N 0 0 423.473 3.283 40 5 HGBBRN COc1cc(NC(=O)CSc2nc(C)cc(C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000408554886 559218103 /nfs/dbraw/zinc/21/81/03/559218103.db2.gz VFZHSJSCYJSPDT-UHFFFAOYSA-N 0 0 402.354 3.451 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)C)c1 ZINC000408583302 559220077 /nfs/dbraw/zinc/22/00/77/559220077.db2.gz HDMXWSWZDKSNNF-UHFFFAOYSA-N 0 0 405.476 3.398 40 5 HGBBRN CS(=O)(=O)N(CC(=O)Nc1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000408583102 559220193 /nfs/dbraw/zinc/22/01/93/559220193.db2.gz YWCZNIFJKNGSKM-UHFFFAOYSA-N 0 0 418.258 3.306 40 5 HGBBRN CC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1)C(=O)c1ccccc1 ZINC000408640119 559222988 /nfs/dbraw/zinc/22/29/88/559222988.db2.gz AJTSIRLELNSILD-VQIMIIECSA-N 0 0 410.426 3.461 40 5 HGBBRN Cc1c(Cl)cccc1NC(=O)COC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408661705 559223741 /nfs/dbraw/zinc/22/37/41/559223741.db2.gz HAVBADMLUDEYLR-UHFFFAOYSA-N 0 0 419.821 3.457 40 5 HGBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000408687696 559224634 /nfs/dbraw/zinc/22/46/34/559224634.db2.gz UTIPWBOGCOEREL-HZPDHXFCSA-N 0 0 423.400 3.243 40 5 HGBBRN CNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000408738661 559225867 /nfs/dbraw/zinc/22/58/67/559225867.db2.gz UHFQLRDVUJKIKR-NRFANRHFSA-N 0 0 417.465 3.200 40 5 HGBBRN O=C(NCc1ccccc1Cl)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000409051840 560670174 /nfs/dbraw/zinc/67/01/74/560670174.db2.gz NJTZBTSTRMVQNO-UHFFFAOYSA-N 0 0 401.850 3.417 40 5 HGBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000005893342 560738857 /nfs/dbraw/zinc/73/88/57/560738857.db2.gz FJYPYPAEHFGGHR-IZZDOVSWSA-N 0 0 401.444 3.031 40 5 HGBBRN CSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3c4ccccc4cc4ccccc43)N2N1 ZINC000588226487 560743163 /nfs/dbraw/zinc/74/31/63/560743163.db2.gz TVVVILROSIEKSA-HSZRJFAPSA-N 0 0 422.513 3.499 40 5 HGBBRN O=[N+]([O-])c1cc(-c2nonc2-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC000100927981 560763133 /nfs/dbraw/zinc/76/31/33/560763133.db2.gz UULROEKZMGABHM-UHFFFAOYSA-N 0 0 402.235 3.036 40 5 HGBBRN O=C1N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Br)cc1 ZINC000111505558 568431702 /nfs/dbraw/zinc/43/17/02/568431702.db2.gz WYPRRTBIKAGWIO-OQLLNIDSSA-N 0 0 402.204 3.450 40 5 HGBBRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000020061465 568587014 /nfs/dbraw/zinc/58/70/14/568587014.db2.gz VCUNKDAXDGVKRI-UHFFFAOYSA-N 0 0 403.460 3.248 40 5 HGBBRN COc1cc2c(cc1OC)-c1c(OC)c(OC)c([N+](=O)[O-])c3c1[C@@H](C2)N(C)CC3 ZINC000020518184 568625791 /nfs/dbraw/zinc/62/57/91/568625791.db2.gz GHNKQXUBBRYYOC-CQSZACIVSA-N 0 0 400.431 3.381 40 5 HGBBRN O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccccc1Br ZINC000020611687 568636446 /nfs/dbraw/zinc/63/64/46/568636446.db2.gz ASDKZVJBIIJSOO-UHFFFAOYSA-N 0 0 406.236 3.446 40 5 HGBBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000020798549 568643823 /nfs/dbraw/zinc/64/38/23/568643823.db2.gz RLLIYWPNNZNCFT-SFHVURJKSA-N 0 0 423.425 3.424 40 5 HGBBRN COc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NC(C)C)c1 ZINC000225652176 568660301 /nfs/dbraw/zinc/66/03/01/568660301.db2.gz SFJIBGJUMDQECG-MRXNPFEDSA-N 0 0 413.474 3.088 40 5 HGBBRN CS(=O)(=O)N(CCCC(=O)N1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000222365515 568751249 /nfs/dbraw/zinc/75/12/49/568751249.db2.gz UAMVBLMQKXTHLO-UHFFFAOYSA-N 0 0 417.487 3.120 40 5 HGBBRN CCOc1ccccc1NC(=O)[C@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222515174 568761340 /nfs/dbraw/zinc/76/13/40/568761340.db2.gz OYDUKVYDZQWJIV-KRWDZBQOSA-N 0 0 421.475 3.177 40 5 HGBBRN CC[C@H](C(=O)NCCC1=CCCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222521200 568761675 /nfs/dbraw/zinc/76/16/75/568761675.db2.gz QDDUKVNAXMYJAC-GOSISDBHSA-N 0 0 409.508 3.146 40 5 HGBBRN COc1cccc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 ZINC000222592606 568764825 /nfs/dbraw/zinc/76/48/25/568764825.db2.gz BEHSGLWBCPHSLQ-UHFFFAOYSA-N 0 0 421.475 3.097 40 5 HGBBRN CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000022257540 568765603 /nfs/dbraw/zinc/76/56/03/568765603.db2.gz PBKXPCWBBASILC-UHFFFAOYSA-N 0 0 402.432 3.442 40 5 HGBBRN Cc1cccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C ZINC000222685904 568768071 /nfs/dbraw/zinc/76/80/71/568768071.db2.gz NELGWGZJHPNWAO-UHFFFAOYSA-N 0 0 405.476 3.397 40 5 HGBBRN COc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NC(C)C)cc1 ZINC000225667825 568778272 /nfs/dbraw/zinc/77/82/72/568778272.db2.gz LOQHRYKKPSXWLA-MRXNPFEDSA-N 0 0 413.474 3.088 40 5 HGBBRN CC[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000218052793 568924979 /nfs/dbraw/zinc/92/49/79/568924979.db2.gz XENKOXZXKXYERE-SFHVURJKSA-N 0 0 422.528 3.499 40 5 HGBBRN COc1ccccc1OCCNC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000059417129 568953075 /nfs/dbraw/zinc/95/30/75/568953075.db2.gz YKJMWEBVLXMZAI-UHFFFAOYSA-N 0 0 414.336 3.196 40 5 HGBBRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006139215 569014124 /nfs/dbraw/zinc/01/41/24/569014124.db2.gz KRTUAFMBCSIPFN-VGOFMYFVSA-N 0 0 403.460 3.277 40 5 HGBBRN COc1ccc(NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000006136724 569014157 /nfs/dbraw/zinc/01/41/57/569014157.db2.gz MMQOGYAWTSBHDR-UHFFFAOYSA-N 0 0 415.431 3.329 40 5 HGBBRN COc1cc(OCC(=O)Nc2nnc(-c3ccc(C)cc3)s2)ccc1[N+](=O)[O-] ZINC000224058322 569041817 /nfs/dbraw/zinc/04/18/17/569041817.db2.gz IVALMLMRGMRBRX-UHFFFAOYSA-N 0 0 400.416 3.448 40 5 HGBBRN O=C(O[C@@H]1CCC[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001716943 569144958 /nfs/dbraw/zinc/14/49/58/569144958.db2.gz WKLGTEJICMXJTJ-IAGOWNOFSA-N 0 0 400.343 3.438 40 5 HGBBRN O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017090262 569274160 /nfs/dbraw/zinc/27/41/60/569274160.db2.gz VFYJFCLSJLCXJG-UHFFFAOYSA-N 0 0 415.431 3.230 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000007872147 569314918 /nfs/dbraw/zinc/31/49/18/569314918.db2.gz RSQOGERLJFIQRB-GFCCVEGCSA-N 0 0 411.867 3.350 40 5 HGBBRN Cc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000007881678 569338127 /nfs/dbraw/zinc/33/81/27/569338127.db2.gz PBGIHPULAAXAFD-RDJZCZTQSA-N 0 0 410.426 3.379 40 5 HGBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1cccc([N+](=O)[O-])c1 ZINC000007881599 569338131 /nfs/dbraw/zinc/33/81/31/569338131.db2.gz BAIMNVWUMOTYOH-CYBMUJFWSA-N 0 0 402.790 3.027 40 5 HGBBRN CCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000007882606 569338338 /nfs/dbraw/zinc/33/83/38/569338338.db2.gz QOZWMAYMGITYJK-HNNXBMFYSA-N 0 0 411.414 3.153 40 5 HGBBRN COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000008433945 569341054 /nfs/dbraw/zinc/34/10/54/569341054.db2.gz GVVNFWPDRWDGLO-UHFFFAOYSA-N 0 0 414.414 3.447 40 5 HGBBRN CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000008475245 569341259 /nfs/dbraw/zinc/34/12/59/569341259.db2.gz JUEKEPRSEXZQCM-UXHICEINSA-N 0 0 419.437 3.494 40 5 HGBBRN O=C(CNC(=O)c1ccccc1)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000010041862 569342766 /nfs/dbraw/zinc/34/27/66/569342766.db2.gz CUQBZORBBMBPGC-JOCHJYFZSA-N 0 0 418.405 3.492 40 5 HGBBRN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000008902451 569390820 /nfs/dbraw/zinc/39/08/20/569390820.db2.gz LHBDDROFMSJRPJ-UHFFFAOYSA-N 0 0 406.782 3.245 40 5 HGBBRN COc1cc(OCC(=O)Nc2ccccc2C(=O)N2CCCCC2)ccc1[N+](=O)[O-] ZINC000066016120 569393898 /nfs/dbraw/zinc/39/38/98/569393898.db2.gz SLJIAUCZABJLGK-UHFFFAOYSA-N 0 0 413.430 3.247 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc2ccccc2c1)S(C)(=O)=O ZINC000010334574 569395642 /nfs/dbraw/zinc/39/56/42/569395642.db2.gz QIMGIBSXWBJUAZ-UHFFFAOYSA-N 0 0 413.455 3.461 40 5 HGBBRN O=[N+]([O-])c1ccc(-c2nnc(SCCN3CCOCC3)n2-c2ccccc2)cc1 ZINC000019374468 569420340 /nfs/dbraw/zinc/42/03/40/569420340.db2.gz GQSIBARPRXDSKF-UHFFFAOYSA-N 0 0 411.487 3.267 40 5 HGBBRN Cc1c(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000006960730 132321773 /nfs/dbraw/zinc/32/17/73/132321773.db2.gz FDPDPTUBEZEGDK-UHFFFAOYSA-N 0 0 404.810 3.427 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000408554819 557444951 /nfs/dbraw/zinc/44/49/51/557444951.db2.gz UPUISHHRRBWMPD-CQSZACIVSA-N 0 0 413.455 3.362 40 5 HGBBRN Cc1ccc(C(O)=C2[C@@H](c3cccc([N+](=O)[O-])c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000013582232 558845052 /nfs/dbraw/zinc/84/50/52/558845052.db2.gz TUHGGHNGNPMCAZ-RKVPGOIHSA-N 0 0 423.347 3.007 40 5 HGBBRN CCOC(=O)CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000205690438 558985168 /nfs/dbraw/zinc/98/51/68/558985168.db2.gz MRCCYMFIGUSHQJ-MHWRWJLKSA-N 0 0 415.427 3.044 40 5 HGBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220509169 559172600 /nfs/dbraw/zinc/17/26/00/559172600.db2.gz GVRJWGRLDPVHHZ-SFHVURJKSA-N 0 0 405.476 3.395 40 5 HGBBRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220541373 559173431 /nfs/dbraw/zinc/17/34/31/559173431.db2.gz QFDDTOICOAQZEC-QGZVFWFLSA-N 0 0 405.476 3.395 40 5 HGBBRN COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1O ZINC000408544939 559217156 /nfs/dbraw/zinc/21/71/56/559217156.db2.gz WFKYAMLECVWFPV-ARJAWSKDSA-N 0 0 402.144 3.380 40 5 HGBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])c(OC)c2)nnc1-c1ccncc1 ZINC000408558033 559218053 /nfs/dbraw/zinc/21/80/53/559218053.db2.gz RSHFOJPYXJVPRM-UHFFFAOYSA-N 0 0 414.447 3.008 40 5 HGBBRN COc1cc(NC(=O)CSc2n[nH]c(COc3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000408555258 559218073 /nfs/dbraw/zinc/21/80/73/559218073.db2.gz WFSSGHUZHSELCT-UHFFFAOYSA-N 0 0 415.431 3.031 40 5 HGBBRN Cc1ccccc1OCc1ccc(C(=O)NCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000408563737 559218769 /nfs/dbraw/zinc/21/87/69/559218769.db2.gz WYEKPYOVCNOXBD-UHFFFAOYSA-N 0 0 409.398 3.444 40 5 HGBBRN Cc1c(Cl)cccc1N1C[C@@H](C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000408642434 559223119 /nfs/dbraw/zinc/22/31/19/559223119.db2.gz DVMPZXAEJFLFAQ-AWEZNQCLSA-N 0 0 416.817 3.336 40 5 HGBBRN CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000408663987 559223601 /nfs/dbraw/zinc/22/36/01/559223601.db2.gz YMEQSKHPRHYNRG-SFHVURJKSA-N 0 0 424.453 3.499 40 5 HGBBRN O=C1S/C(=C\c2ccc(N3CCOCC3)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000409012063 559237007 /nfs/dbraw/zinc/23/70/07/559237007.db2.gz IRIARWWVXNOHGG-WJDWOHSUSA-N 0 0 415.427 3.261 40 5 HGBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000409096134 559240658 /nfs/dbraw/zinc/24/06/58/559240658.db2.gz FLBKWUIMQMECGX-KXUVPBGPSA-N 0 0 402.384 3.453 40 5 HGBBRN CC[C@@H](C)Nc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NCc1ccco1 ZINC000004985866 560619243 /nfs/dbraw/zinc/61/92/43/560619243.db2.gz IWIGGUOKJIZMHZ-CQSZACIVSA-N 0 0 405.458 3.285 40 5 HGBBRN Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000409021370 560666874 /nfs/dbraw/zinc/66/68/74/560666874.db2.gz DPUGZNSQAKLXTE-OVCLIPMQSA-N 0 0 414.805 3.088 40 5 HGBBRN CCCCCn1c2nnc(Cn3nc(C)c([N+](=O)[O-])c3C)n2c2ccccc2c1=O ZINC000005689844 560781035 /nfs/dbraw/zinc/78/10/35/560781035.db2.gz IKUPKDOCDLDGLG-UHFFFAOYSA-N 0 0 409.450 3.004 40 5 HGBBRN Cc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000014798663 560851847 /nfs/dbraw/zinc/85/18/47/560851847.db2.gz DWUGRIZRTHGYTK-CQSZACIVSA-N 0 0 421.450 3.082 40 5 HGBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)/N=c1/sccn1Cc1ccccc1Cl ZINC000104727397 560853360 /nfs/dbraw/zinc/85/33/60/560853360.db2.gz RLSNOFSWLBPCML-HTXNQAPBSA-N 0 0 421.818 3.037 40 5 HGBBRN CSc1cccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 ZINC000220067325 568501917 /nfs/dbraw/zinc/50/19/17/568501917.db2.gz ANUNWVDQPZMCGU-UHFFFAOYSA-N 0 0 409.489 3.030 40 5 HGBBRN CCOC(=O)C1=C(C)N[C@H](c2cccc([N+](=O)[O-])c2)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000095115830 568596044 /nfs/dbraw/zinc/59/60/44/568596044.db2.gz LYSZPSRFMMSDIP-MOPGFXCFSA-N 0 0 412.402 3.273 40 5 HGBBRN O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000020528596 568625709 /nfs/dbraw/zinc/62/57/09/568625709.db2.gz QJRPKEVVHSRNAX-UHFFFAOYSA-N 0 0 422.363 3.058 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCC1=CCCCC1)S(C)(=O)=O ZINC000222374792 568752534 /nfs/dbraw/zinc/75/25/34/568752534.db2.gz MEFNHBJHYQBHQP-UHFFFAOYSA-N 0 0 423.535 3.456 40 5 HGBBRN CC[C@@H](C(=O)NCc1ccccc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222534348 568762735 /nfs/dbraw/zinc/76/27/35/568762735.db2.gz AIBKFDMQWSEHMI-SFHVURJKSA-N 0 0 419.503 3.073 40 5 HGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000222555479 568763382 /nfs/dbraw/zinc/76/33/82/568763382.db2.gz ZZTLDUUYMDNQKL-UHFFFAOYSA-N 0 0 421.475 3.097 40 5 HGBBRN Cc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1C ZINC000218242721 568836927 /nfs/dbraw/zinc/83/69/27/568836927.db2.gz QUTBZVAPAROLDY-UHFFFAOYSA-N 0 0 411.867 3.270 40 5 HGBBRN O=C(N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000003056186 568851802 /nfs/dbraw/zinc/85/18/02/568851802.db2.gz AHGVMBNATNCRTK-RGEXLXHISA-N 0 0 424.413 3.286 40 5 HGBBRN O=C(Cc1cccs1)N[C@H]1CCCC[C@]12CN(Cc1ccc([N+](=O)[O-])o1)CCO2 ZINC000306129873 568900589 /nfs/dbraw/zinc/90/05/89/568900589.db2.gz IPFWVSZVAQDAFU-PXNSSMCTSA-N 0 0 419.503 3.122 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000223771611 569031615 /nfs/dbraw/zinc/03/16/15/569031615.db2.gz DFGHQVXSJVEARY-UHFFFAOYSA-N 0 0 408.823 3.085 40 5 HGBBRN C[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000223839479 569031765 /nfs/dbraw/zinc/03/17/65/569031765.db2.gz QLHXVZVCCWZWHF-CYBMUJFWSA-N 0 0 408.501 3.109 40 5 HGBBRN COc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1Br ZINC000006275166 569036544 /nfs/dbraw/zinc/03/65/44/569036544.db2.gz RSPBOCYQNLQTLO-UHFFFAOYSA-N 0 0 410.249 3.493 40 5 HGBBRN CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224281861 569056779 /nfs/dbraw/zinc/05/67/79/569056779.db2.gz BCQZVHCYTHSZIY-INIZCTEOSA-N 0 0 415.465 3.466 40 5 HGBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc([N+](=O)[O-])c1 ZINC000017082633 569273075 /nfs/dbraw/zinc/27/30/75/569273075.db2.gz YPQAKBOLPUZKKS-UHFFFAOYSA-N 0 0 403.401 3.240 40 5 HGBBRN Cc1cc(C)cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 ZINC000017089909 569273858 /nfs/dbraw/zinc/27/38/58/569273858.db2.gz XSWRXHLMKXUKDP-UHFFFAOYSA-N 0 0 414.487 3.175 40 5 HGBBRN CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000017090268 569274207 /nfs/dbraw/zinc/27/42/07/569274207.db2.gz BPYCZQPUWSEYCH-UHFFFAOYSA-N 0 0 415.456 3.290 40 5 HGBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000017092137 569274268 /nfs/dbraw/zinc/27/42/68/569274268.db2.gz GLDDLQIZDKORHM-UHFFFAOYSA-N 0 0 420.403 3.037 40 5 HGBBRN CCc1ccccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017089880 569274270 /nfs/dbraw/zinc/27/42/70/569274270.db2.gz PKXDOKQHRVKAAT-UHFFFAOYSA-N 0 0 414.487 3.121 40 5 HGBBRN COc1cccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000017227470 569276580 /nfs/dbraw/zinc/27/65/80/569276580.db2.gz MKQBJKLRVXXQDH-UHFFFAOYSA-N 0 0 416.415 3.296 40 5 HGBBRN CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224646796 569278498 /nfs/dbraw/zinc/27/84/98/569278498.db2.gz QMOIDEMYMNYDDX-OAHLLOKOSA-N 0 0 401.438 3.218 40 5 HGBBRN CCOC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224751556 569287406 /nfs/dbraw/zinc/28/74/06/569287406.db2.gz AYRIBSAQTNWCDK-UHFFFAOYSA-N 0 0 412.851 3.315 40 5 HGBBRN CCOC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225019476 569323475 /nfs/dbraw/zinc/32/34/75/569323475.db2.gz ANCQQGFFLJTPFN-UHFFFAOYSA-N 0 0 406.460 3.477 40 5 HGBBRN Cn1c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)cc2n(C)c1=O ZINC000215012509 569324797 /nfs/dbraw/zinc/32/47/97/569324797.db2.gz DTAWZPJNJMPVBG-LICLKQGHSA-N 0 0 424.438 3.022 40 5 HGBBRN CCC[C@@H](C)NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000006324801 569330827 /nfs/dbraw/zinc/33/08/27/569330827.db2.gz MHPSJQXEBQOMPM-OAHLLOKOSA-N 0 0 405.476 3.095 40 5 HGBBRN CCOc1ccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000006355218 569331368 /nfs/dbraw/zinc/33/13/68/569331368.db2.gz IWOGQCVYLBBZER-CQSZACIVSA-N 0 0 421.475 3.095 40 5 HGBBRN COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000008433943 569341067 /nfs/dbraw/zinc/34/10/67/569341067.db2.gz JKXHHQMAMRFBPN-UHFFFAOYSA-N 0 0 400.387 3.138 40 5 HGBBRN Cc1cccc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 ZINC000008498842 569341710 /nfs/dbraw/zinc/34/17/10/569341710.db2.gz GYRUWJBUURQBFZ-UHFFFAOYSA-N 0 0 405.476 3.397 40 5 HGBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1C ZINC000008902593 569390790 /nfs/dbraw/zinc/39/07/90/569390790.db2.gz YVPWMEBFGGSJIS-UHFFFAOYSA-N 0 0 414.487 3.175 40 5 HGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000011123290 569397715 /nfs/dbraw/zinc/39/77/15/569397715.db2.gz JJSVWCXEVBYVLF-UHFFFAOYSA-N 0 0 423.878 3.288 40 5 HGBBRN CC(C)c1nnc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000013150635 569410073 /nfs/dbraw/zinc/41/00/73/569410073.db2.gz HXCCBNZBOCQCHO-CYBMUJFWSA-N 0 0 404.452 3.205 40 5 HGBBRN CC(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3-n3cnnc3)CC2)cc1 ZINC000070461857 569410466 /nfs/dbraw/zinc/41/04/66/569410466.db2.gz NGDOYLXKUJKZAZ-UHFFFAOYSA-N 0 0 420.473 3.261 40 5 HGBBRN O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3c[nH]c4ccccc34)n2)c1 ZINC000015674849 291245655 /nfs/dbraw/zinc/24/56/55/291245655.db2.gz AGHAFRLWWAYIOG-APWZRJJASA-N 0 0 405.414 3.434 40 5 biogenic,in-vitro HGBBRN O=C1NN(c2ccc([N+](=O)[O-])cc2)C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]12 ZINC000004852560 132290557 /nfs/dbraw/zinc/29/05/57/132290557.db2.gz UZUZWSQZFIGCNM-UJKMTWAASA-N 0 0 411.417 3.496 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 ZINC000005135919 132302103 /nfs/dbraw/zinc/30/21/03/132302103.db2.gz CLIXUDNHTXKEIL-UHFFFAOYSA-N 0 0 403.460 3.394 40 5 HGBBRN CCCn1ccc2nc3ccn(-c4nc(C5CCCCC5)n[nH]4)c(=O)c3cc2c1=O ZINC000040399014 521659055 /nfs/dbraw/zinc/65/90/55/521659055.db2.gz NXDPWXKWPKRCBK-UHFFFAOYSA-N 0 0 404.474 3.276 40 5 HGBBRN CSc1cccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000010328257 557860429 /nfs/dbraw/zinc/86/04/29/557860429.db2.gz SRUUDOVMULLFDZ-UHFFFAOYSA-N 0 0 409.489 3.030 40 5 HGBBRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712450 558576650 /nfs/dbraw/zinc/57/66/50/558576650.db2.gz WYBLWEPQOVWZMX-MRXNPFEDSA-N 0 0 411.867 3.432 40 5 HGBBRN CCOc1ccc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000220380698 559068329 /nfs/dbraw/zinc/06/83/29/559068329.db2.gz PWNMSYMYDOALQR-AWEZNQCLSA-N 0 0 421.475 3.095 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCCC1=CCCCC1)S(C)(=O)=O ZINC000220386968 559068461 /nfs/dbraw/zinc/06/84/61/559068461.db2.gz ZIATUZAXOIGEOG-HNNXBMFYSA-N 0 0 409.508 3.064 40 5 HGBBRN Cc1ccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl ZINC000220407053 559074134 /nfs/dbraw/zinc/07/41/34/559074134.db2.gz CRTJDPDUYRJDGD-LBPRGKRZSA-N 0 0 411.867 3.350 40 5 HGBBRN Cc1ccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl ZINC000220406980 559074138 /nfs/dbraw/zinc/07/41/38/559074138.db2.gz CRTJDPDUYRJDGD-GFCCVEGCSA-N 0 0 411.867 3.350 40 5 HGBBRN Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000220415557 559076842 /nfs/dbraw/zinc/07/68/42/559076842.db2.gz OQBGTOMZQNNREU-HOTGVXAUSA-N 0 0 419.503 3.244 40 5 HGBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)c([N+](=O)[O-])c1 ZINC000408572088 559218772 /nfs/dbraw/zinc/21/87/72/559218772.db2.gz GRLNLQUBYGLDNV-UHFFFAOYSA-N 0 0 423.425 3.480 40 5 HGBBRN CC(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000408628806 559221619 /nfs/dbraw/zinc/22/16/19/559221619.db2.gz AVCHZXNOXUPLEG-UHFFFAOYSA-N 0 0 402.838 3.169 40 5 HGBBRN CC[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O ZINC000408640174 559222995 /nfs/dbraw/zinc/22/29/95/559222995.db2.gz AOGRHGZNBAITTD-SFHVURJKSA-N 0 0 423.425 3.153 40 5 HGBBRN CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000408657462 559223818 /nfs/dbraw/zinc/22/38/18/559223818.db2.gz UGVHAPSLIODWGG-GOSISDBHSA-N 0 0 424.453 3.499 40 5 HGBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 ZINC000408687831 559224632 /nfs/dbraw/zinc/22/46/32/559224632.db2.gz VGIPATSDYYHESH-XFQXTVEOSA-N 0 0 419.437 3.349 40 5 HGBBRN Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)OC1CCCCC1 ZINC000005008310 559226574 /nfs/dbraw/zinc/22/65/74/559226574.db2.gz QEZWGFGCZRGVHM-UHFFFAOYSA-N 0 0 406.464 3.270 40 5 HGBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000409105351 559240644 /nfs/dbraw/zinc/24/06/44/559240644.db2.gz MZEVQVTUTFUIOB-QNKACBJSSA-N 0 0 402.384 3.453 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC000409239194 559246753 /nfs/dbraw/zinc/24/67/53/559246753.db2.gz GWNRZMUEPHXQQR-UHFFFAOYSA-N 0 0 419.503 3.409 40 5 HGBBRN CCOC(=O)N1CCN(C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000408921506 560654455 /nfs/dbraw/zinc/65/44/55/560654455.db2.gz IIUVNBMIBDGWEI-CAPFRKAQSA-N 0 0 409.442 3.436 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccccc2)n1C ZINC000409330265 560710227 /nfs/dbraw/zinc/71/02/27/560710227.db2.gz KIELCVSAFBPESG-UHFFFAOYSA-N 0 0 413.459 3.342 40 5 HGBBRN CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)NN1C ZINC000005716813 560828369 /nfs/dbraw/zinc/82/83/69/560828369.db2.gz XBRVHLCGBXQICP-MRXNPFEDSA-N 0 0 403.826 3.080 40 5 HGBBRN CCCCNC(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000219823174 568498704 /nfs/dbraw/zinc/49/87/04/568498704.db2.gz OIBOZIKFCQTLDD-UHFFFAOYSA-N 0 0 401.419 3.151 40 5 HGBBRN COC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)sc2c1CCCC2 ZINC000219822967 568498716 /nfs/dbraw/zinc/49/87/16/568498716.db2.gz RSJLEWAQELMCND-UHFFFAOYSA-N 0 0 420.443 3.348 40 5 HGBBRN CCOc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1OCC ZINC000219824470 568498842 /nfs/dbraw/zinc/49/88/42/568498842.db2.gz GMADPBGYROVROH-UHFFFAOYSA-N 0 0 404.419 3.096 40 5 HGBBRN CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)c1 ZINC000019929252 568585674 /nfs/dbraw/zinc/58/56/74/568585674.db2.gz VHDUYBUQKSEFCO-UHFFFAOYSA-N 0 0 413.415 3.334 40 5 HGBBRN COc1ccc(S(=O)(=O)N(C)c2cccc([N+](=O)[O-])c2)cc1Br ZINC000224884431 568602161 /nfs/dbraw/zinc/60/21/61/568602161.db2.gz NLICJFWYYVVDGR-UHFFFAOYSA-N 0 0 401.238 3.191 40 5 HGBBRN CCOc1cc(OCC)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)c1 ZINC000020611728 568636841 /nfs/dbraw/zinc/63/68/41/568636841.db2.gz PSAYADZEQDGSRZ-UHFFFAOYSA-N 0 0 415.446 3.481 40 5 HGBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225677632 568725737 /nfs/dbraw/zinc/72/57/37/568725737.db2.gz GLDKTGSZDGEPFL-MRXNPFEDSA-N 0 0 415.465 3.466 40 5 HGBBRN CCOc1ccccc1NC(=O)[C@@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222515112 568761283 /nfs/dbraw/zinc/76/12/83/568761283.db2.gz OYDUKVYDZQWJIV-QGZVFWFLSA-N 0 0 421.475 3.177 40 5 HGBBRN CC[C@@H](C(=O)NCCC1=CCCCC1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222536433 568762724 /nfs/dbraw/zinc/76/27/24/568762724.db2.gz KXMDVWQJJGXXEY-SFHVURJKSA-N 0 0 423.535 3.455 40 5 HGBBRN CC[C@H](C(=O)N(C)Cc1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222530833 568762729 /nfs/dbraw/zinc/76/27/29/568762729.db2.gz XIAROWTWYXOVDX-GOSISDBHSA-N 0 0 419.503 3.106 40 5 HGBBRN CC[C@H](C(=O)NCc1cccc(C)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222541844 568763135 /nfs/dbraw/zinc/76/31/35/568763135.db2.gz ILHALPSOQJFFOB-GOSISDBHSA-N 0 0 419.503 3.073 40 5 HGBBRN CC[C@@H](C(=O)NCc1cccc(C)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222541784 568763156 /nfs/dbraw/zinc/76/31/56/568763156.db2.gz ILHALPSOQJFFOB-SFHVURJKSA-N 0 0 419.503 3.073 40 5 HGBBRN CC[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1C ZINC000022348319 568766699 /nfs/dbraw/zinc/76/66/99/568766699.db2.gz PRGNTCUPCOZCLN-LJQANCHMSA-N 0 0 419.503 3.245 40 5 HGBBRN Cc1cccc(C)c1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222683730 568767798 /nfs/dbraw/zinc/76/77/98/568767798.db2.gz KDUCFQZPNWWYOJ-UHFFFAOYSA-N 0 0 405.476 3.397 40 5 HGBBRN Cc1ccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C ZINC000222683888 568767922 /nfs/dbraw/zinc/76/79/22/568767922.db2.gz JYAKCTZVFAGKAY-UHFFFAOYSA-N 0 0 405.476 3.397 40 5 HGBBRN COc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)cc1[N+](=O)[O-] ZINC000005842299 568825502 /nfs/dbraw/zinc/82/55/02/568825502.db2.gz HEMHJHRWKOTABU-UHFFFAOYSA-N 0 0 416.459 3.325 40 5 HGBBRN O=C(Oc1cccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000004195735 568950264 /nfs/dbraw/zinc/95/02/64/568950264.db2.gz GJCVLNBCDWBENC-FTUNRGFVSA-N 0 0 406.394 3.350 40 5 HGBBRN Cc1c(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000008268171 568985440 /nfs/dbraw/zinc/98/54/40/568985440.db2.gz JBLVYBYHFWHHQS-UHFFFAOYSA-N 0 0 409.489 3.004 40 5 HGBBRN CC(C)(C)c1ccc(-c2noc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000223591109 569030555 /nfs/dbraw/zinc/03/05/55/569030555.db2.gz LOMFLAIBIHTAHO-UHFFFAOYSA-N 0 0 416.459 3.421 40 5 HGBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1 ZINC000223628259 569030636 /nfs/dbraw/zinc/03/06/36/569030636.db2.gz XVTFZSUAVXWYDZ-VQTJNVASSA-N 0 0 423.498 3.135 40 5 HGBBRN CCCC[C@@H](c1nnnn1C(C)(C)C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000035313893 569030967 /nfs/dbraw/zinc/03/09/67/569030967.db2.gz RKXHIUUJEOBQEG-SFHVURJKSA-N 0 0 401.515 3.390 40 5 HGBBRN Cc1ccccc1-c1nc(-c2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)no1 ZINC000006810061 569129240 /nfs/dbraw/zinc/12/92/40/569129240.db2.gz HELRSCFQVPHKGE-UHFFFAOYSA-N 0 0 404.386 3.455 40 5 HGBBRN COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000017090591 569273672 /nfs/dbraw/zinc/27/36/72/569273672.db2.gz PPRXHPRZRUEFJH-UHFFFAOYSA-N 0 0 416.459 3.325 40 5 HGBBRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)c(F)c1F ZINC000017092615 569274625 /nfs/dbraw/zinc/27/46/25/569274625.db2.gz PYOSHTXADNCBSR-UHFFFAOYSA-N 0 0 421.303 3.426 40 5 HGBBRN CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000006322331 569330740 /nfs/dbraw/zinc/33/07/40/569330740.db2.gz RXFRPEAOMJYLHN-UHFFFAOYSA-N 0 0 405.476 3.243 40 5 HGBBRN CCOc1ccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000006355216 569331334 /nfs/dbraw/zinc/33/13/34/569331334.db2.gz IWOGQCVYLBBZER-AWEZNQCLSA-N 0 0 421.475 3.095 40 5 HGBBRN CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000006880284 569335048 /nfs/dbraw/zinc/33/50/48/569335048.db2.gz DPINKEXWZWEGIG-UHFFFAOYSA-N 0 0 405.476 3.163 40 5 HGBBRN O=C(CCC(=O)OCC(=O)Nc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000008416451 569340652 /nfs/dbraw/zinc/34/06/52/569340652.db2.gz BWZOOWGYVIAQAH-UHFFFAOYSA-N 0 0 405.794 3.149 40 5 HGBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21 ZINC000008475072 569341199 /nfs/dbraw/zinc/34/11/99/569341199.db2.gz FQELNGGOUIPYJL-UIAACRFSSA-N 0 0 419.437 3.349 40 5 HGBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000008475205 569341242 /nfs/dbraw/zinc/34/12/42/569341242.db2.gz JAINSYHYUMBMNJ-IAGOWNOFSA-N 0 0 405.410 3.103 40 5 HGBBRN COc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)c([N+](=O)[O-])c1 ZINC000010264523 569343181 /nfs/dbraw/zinc/34/31/81/569343181.db2.gz PITHRKVMIAFELB-UHFFFAOYSA-N 0 0 413.459 3.438 40 5 HGBBRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000010331309 569343799 /nfs/dbraw/zinc/34/37/99/569343799.db2.gz AXKVVKBBOCASDT-GFCCVEGCSA-N 0 0 411.867 3.350 40 5 HGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000010363519 569344156 /nfs/dbraw/zinc/34/41/56/569344156.db2.gz JXEPELFSSYVATP-AWEZNQCLSA-N 0 0 421.475 3.013 40 5 HGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000010363527 569344194 /nfs/dbraw/zinc/34/41/94/569344194.db2.gz JXEPELFSSYVATP-CQSZACIVSA-N 0 0 421.475 3.013 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc2ccccc21)S(C)(=O)=O ZINC000010372304 569344317 /nfs/dbraw/zinc/34/43/17/569344317.db2.gz WCGBLAGVKACWGG-UHFFFAOYSA-N 0 0 413.455 3.461 40 5 HGBBRN CCOC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000113895764 569393459 /nfs/dbraw/zinc/39/34/59/569393459.db2.gz ZJZNUBOULIEYIH-UHFFFAOYSA-N 0 0 412.851 3.315 40 5 HGBBRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000010119929 569395123 /nfs/dbraw/zinc/39/51/23/569395123.db2.gz HYMUJTLIOCZAJA-VMPITWQZSA-N 0 0 422.426 3.422 40 5 HGBBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc(N)c([N+](=O)[O-])c1)C(=O)OCc1ccccc1 ZINC000067794587 569398178 /nfs/dbraw/zinc/39/81/78/569398178.db2.gz XMBKAKVKLBEHSK-KRWDZBQOSA-N 0 0 415.446 3.356 40 5 HGBBRN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000019867657 569431472 /nfs/dbraw/zinc/43/14/72/569431472.db2.gz UKUJJYNLYQZHFW-UHFFFAOYSA-N 0 0 417.487 3.084 40 5 HGBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nnc1-c1ccco1 ZINC000008620619 571094348 /nfs/dbraw/zinc/09/43/48/571094348.db2.gz LJWBDGYAVRNMBY-UHFFFAOYSA-N 0 0 403.420 3.206 40 5 HGBBRN COC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000008729506 571106944 /nfs/dbraw/zinc/10/69/44/571106944.db2.gz KROGLNBPBBSSQR-UHFFFAOYSA-N 0 0 419.242 3.270 40 5 HGBBRN COc1ccc(C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000032100974 523876674 /nfs/dbraw/zinc/87/66/74/523876674.db2.gz HCOAMZJPGMMUEF-KRWDZBQOSA-N 0 0 409.320 3.105 40 5 HGBBRN COc1cccc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@](O)(C(F)(F)F)C2)c1 ZINC000032101334 525858773 /nfs/dbraw/zinc/85/87/73/525858773.db2.gz BQKSXROVXYMJTH-QGZVFWFLSA-N 0 0 409.320 3.105 40 5 HGBBRN O=c1c2cc3c(ccn(Cc4ccncc4)c3=O)nc2ccn1CCc1ccccc1 ZINC000040398846 527463265 /nfs/dbraw/zinc/46/32/65/527463265.db2.gz GSAVISDVECJSNY-UHFFFAOYSA-N 0 0 408.461 3.397 40 5 HGBBRN Cn1c(Sc2ncccc2[N+](=O)[O-])nnc1-c1cc(Br)ccc1O ZINC000408602042 557522596 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ZINC000224648265 569278520 /nfs/dbraw/zinc/27/85/20/569278520.db2.gz HLLZRFXAYKGCOH-HNNXBMFYSA-N 0 0 419.503 3.109 40 5 HGBBRN COC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224783405 569289554 /nfs/dbraw/zinc/28/95/54/569289554.db2.gz FWOKDAOEHQVLNB-UHFFFAOYSA-N 0 0 406.460 3.197 40 5 HGBBRN COC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225086351 569325070 /nfs/dbraw/zinc/32/50/70/569325070.db2.gz BOMPDHWFWRVDRW-UHFFFAOYSA-N 0 0 406.460 3.197 40 5 HGBBRN O=C(COc1ccc(Cl)cc1Cl)NCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000006251359 569330240 /nfs/dbraw/zinc/33/02/40/569330240.db2.gz NAWDQDXYQZLPEX-UHFFFAOYSA-N 0 0 413.213 3.140 40 5 HGBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1cccc([N+](=O)[O-])c1 ZINC000007881600 569338154 /nfs/dbraw/zinc/33/81/54/569338154.db2.gz BAIMNVWUMOTYOH-ZDUSSCGKSA-N 0 0 402.790 3.027 40 5 HGBBRN CCc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000007939832 569338713 /nfs/dbraw/zinc/33/87/13/569338713.db2.gz MZUOYEJBPWVASS-UHFFFAOYSA-N 0 0 413.430 3.366 40 5 HGBBRN COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccccc2C)cc1[N+](=O)[O-] ZINC000008433942 569340996 /nfs/dbraw/zinc/34/09/96/569340996.db2.gz BZMRYMDVXVYORO-UHFFFAOYSA-N 0 0 414.414 3.447 40 5 HGBBRN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000010010433 569394879 /nfs/dbraw/zinc/39/48/79/569394879.db2.gz DLHKIQBNFNOMKA-UHFFFAOYSA-N 0 0 402.838 3.169 40 5 HGBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000019162883 569414289 /nfs/dbraw/zinc/41/42/89/569414289.db2.gz RSEWIBDKRPQHTG-UHFFFAOYSA-N 0 0 409.851 3.285 40 5 HGBBRN Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC(C)C)c3)CC2)cc1 ZINC000010231817 132345437 /nfs/dbraw/zinc/34/54/37/132345437.db2.gz XPSPBCAZPSVTDY-UHFFFAOYSA-N 0 0 418.519 3.234 40 5 HGBBRN O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000020611776 132470322 /nfs/dbraw/zinc/47/03/22/132470322.db2.gz GEILGZXDWOOEDZ-UHFFFAOYSA-N 0 0 406.782 3.245 40 5 HGBBRN CCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)N[C@@H](C)c1ccccc1 ZINC000020051753 520359336 /nfs/dbraw/zinc/35/93/36/520359336.db2.gz GYWPFQVYUVZJTA-HNNXBMFYSA-N 0 0 401.470 3.474 40 5 HGBBRN COc1ccc(Cn2ccc3nc4ccn(Cc5ccncc5)c(=O)c4cc3c2=O)cc1 ZINC000040398799 524262166 /nfs/dbraw/zinc/26/21/66/524262166.db2.gz SYMSSJCUERFPAY-UHFFFAOYSA-N 0 0 424.460 3.212 40 5 HGBBRN Cc1ccc(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000032640712 524933251 /nfs/dbraw/zinc/93/32/51/524933251.db2.gz GFTTYJGTCKASPW-MSOLQXFVSA-N 0 0 417.512 3.178 40 5 HGBBRN O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000032117938 526781941 /nfs/dbraw/zinc/78/19/41/526781941.db2.gz NSCLMGNTRXXURB-UHFFFAOYSA-N 0 0 415.450 3.104 40 5 HGBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2)C1=O ZINC000214689299 557674397 /nfs/dbraw/zinc/67/43/97/557674397.db2.gz NIPQUXNIYQWLJE-MHWRWJLKSA-N 0 0 413.411 3.278 40 5 HGBBRN COc1cc(OCC(=O)NCc2nc(-c3ccccc3Cl)no2)ccc1[N+](=O)[O-] ZINC000219829305 558300573 /nfs/dbraw/zinc/30/05/73/558300573.db2.gz BLEFNVVWJSEHEZ-UHFFFAOYSA-N 0 0 418.793 3.002 40 5 HGBBRN O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1ccc(I)o1 ZINC000013574964 558843989 /nfs/dbraw/zinc/84/39/89/558843989.db2.gz WXKPVKISDKIQTB-XFFZJAGNSA-N 0 0 410.123 3.137 40 5 HGBBRN O=C(c1ccc([N+](=O)[O-])cc1)N1NC(C(F)(F)F)=C[C@]1(O)c1cccc([N+](=O)[O-])c1 ZINC000013590486 558845854 /nfs/dbraw/zinc/84/58/54/558845854.db2.gz WFXYNCRZKYHEMJ-INIZCTEOSA-N 0 0 424.291 3.113 40 5 HGBBRN Cc1ccc(C)c([C@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000022374748 558988452 /nfs/dbraw/zinc/98/84/52/558988452.db2.gz JCEZHLQATPGGEW-INIZCTEOSA-N 0 0 419.503 3.163 40 5 HGBBRN CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000225797198 558993162 /nfs/dbraw/zinc/99/31/62/558993162.db2.gz USUXIOVLXDUXQW-HUUCEWRRSA-N 0 0 419.503 3.189 40 5 HGBBRN CCOc1ccc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000220380631 559068339 /nfs/dbraw/zinc/06/83/39/559068339.db2.gz PWNMSYMYDOALQR-CQSZACIVSA-N 0 0 421.475 3.095 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NC1CCCCCCC1)S(C)(=O)=O ZINC000220391735 559068920 /nfs/dbraw/zinc/06/89/20/559068920.db2.gz ZLMLYVIHTDGCNX-OAHLLOKOSA-N 0 0 411.524 3.287 40 5 HGBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220621972 559174304 /nfs/dbraw/zinc/17/43/04/559174304.db2.gz ULJHCHXYUOJRMW-GOSISDBHSA-N 0 0 421.475 3.095 40 5 HGBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220648273 559175792 /nfs/dbraw/zinc/17/57/92/559175792.db2.gz STQZATWPKMJVIE-SFHVURJKSA-N 0 0 421.475 3.095 40 5 HGBBRN Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C(=O)N1CCCC1 ZINC000408595444 559220186 /nfs/dbraw/zinc/22/01/86/559220186.db2.gz QGTVZBNAEHXKRD-UHFFFAOYSA-N 0 0 403.460 3.248 40 5 HGBBRN COc1ccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1OC ZINC000408628763 559221531 /nfs/dbraw/zinc/22/15/31/559221531.db2.gz XFIDKXIPHDTHGQ-UHFFFAOYSA-N 0 0 405.838 3.228 40 5 HGBBRN COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000408645936 559223193 /nfs/dbraw/zinc/22/31/93/559223193.db2.gz VDTKINAOUGGECO-LLVKDONJSA-N 0 0 419.821 3.257 40 5 HGBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000408687694 559224627 /nfs/dbraw/zinc/22/46/27/559224627.db2.gz UTIPWBOGCOEREL-HOTGVXAUSA-N 0 0 423.400 3.243 40 5 HGBBRN CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 ZINC000408683968 559224636 /nfs/dbraw/zinc/22/46/36/559224636.db2.gz MOHVKDCNMLZBGZ-IEBWSBKVSA-N 0 0 419.437 3.494 40 5 HGBBRN COc1ccc(-c2nnc(CN(C)C(=O)c3ccc([N+](=O)[O-])c(C)c3)o2)cc1OC ZINC000408713860 559225035 /nfs/dbraw/zinc/22/50/35/559225035.db2.gz BFHUNKOTTFQVOT-UHFFFAOYSA-N 0 0 412.402 3.243 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000408705854 559225154 /nfs/dbraw/zinc/22/51/54/559225154.db2.gz OTSBIVZDBUAMLS-UHFFFAOYSA-N 0 0 409.439 3.227 40 5 HGBBRN COc1ccc(OC)c(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000409053082 559239447 /nfs/dbraw/zinc/23/94/47/559239447.db2.gz XCACRDLMPFADQX-UHFFFAOYSA-N 0 0 413.430 3.103 40 5 HGBBRN CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409229556 559245667 /nfs/dbraw/zinc/24/56/67/559245667.db2.gz QZOLTHBOEXELBY-GZTJUZNOSA-N 0 0 411.414 3.485 40 5 HGBBRN O=C(CN1C(=O)SC(=Cc2cccc([N+](=O)[O-])c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409352439 559248228 /nfs/dbraw/zinc/24/82/28/559248228.db2.gz ZYAONIKJGSXEAW-CXUHLZMHSA-N 0 0 413.367 3.422 40 5 HGBBRN CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000004981362 560623028 /nfs/dbraw/zinc/62/30/28/560623028.db2.gz XFFUCANXYDJCLH-SFHVURJKSA-N 0 0 411.418 3.188 40 5 HGBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000409068193 560672601 /nfs/dbraw/zinc/67/26/01/560672601.db2.gz SZXUZEUQNDOSPL-QNKACBJSSA-N 0 0 402.384 3.453 40 5 HGBBRN COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000409104186 560675592 /nfs/dbraw/zinc/67/55/92/560675592.db2.gz GHGJCGKPEGWHTR-AWNIVKPZSA-N 0 0 403.778 3.363 40 5 HGBBRN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C ZINC000409148817 560683866 /nfs/dbraw/zinc/68/38/66/560683866.db2.gz SCTTZBJEXZNDJZ-UHFFFAOYSA-N 0 0 413.459 3.438 40 5 HGBBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)cc1[N+](=O)[O-] ZINC000409160657 560684968 /nfs/dbraw/zinc/68/49/68/560684968.db2.gz VMXIXBPHONTKNY-UHFFFAOYSA-N 0 0 418.866 3.260 40 5 HGBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1cccc(F)c1 ZINC000409253077 560703752 /nfs/dbraw/zinc/70/37/52/560703752.db2.gz YOOQAGOZCWONKM-OVCLIPMQSA-N 0 0 401.375 3.409 40 5 HGBBRN O=[N+]([O-])c1ccc(COc2ccccc2C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)cc1 ZINC000409350240 560713595 /nfs/dbraw/zinc/71/35/95/560713595.db2.gz RFKWTTKGYTZYKM-JXMROGBWSA-N 0 0 410.342 3.454 40 5 HGBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2cccnc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000102728720 560821271 /nfs/dbraw/zinc/82/12/71/560821271.db2.gz SIPUPZSEKHAJRB-AQNXPRMDSA-N 0 0 416.393 3.041 40 5 HGBBRN O=c1[nH]nc(-c2ccc(Cl)cc2)c2c1Nc1nnnn1[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000111999816 568440779 /nfs/dbraw/zinc/44/07/79/568440779.db2.gz JBZHDAQSKYYRJM-MRXNPFEDSA-N 0 0 422.792 3.092 40 5 HGBBRN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000020455524 568608717 /nfs/dbraw/zinc/60/87/17/568608717.db2.gz VDRCBAJKNIWEHS-UHFFFAOYSA-N 0 0 409.895 3.209 40 5 HGBBRN COc1ccc(-n2nc3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3n2)cc1 ZINC000020610084 568636246 /nfs/dbraw/zinc/63/62/46/568636246.db2.gz OEDYTBUUDVXHTR-UHFFFAOYSA-N 0 0 419.397 3.355 40 5 HGBBRN Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000225926284 568686651 /nfs/dbraw/zinc/68/66/51/568686651.db2.gz PYYUGIKFXCZGHB-UHFFFAOYSA-N 0 0 417.487 3.251 40 5 HGBBRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000222362934 568751150 /nfs/dbraw/zinc/75/11/50/568751150.db2.gz PRRYGDGSZJBOSI-UHFFFAOYSA-N 0 0 413.402 3.058 40 5 HGBBRN CC[C@H](C(=O)Nc1cc(C)ccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222513412 568761355 /nfs/dbraw/zinc/76/13/55/568761355.db2.gz BXGZXPNRLPNWNG-GOSISDBHSA-N 0 0 405.476 3.395 40 5 HGBBRN COc1ccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000222603130 568764793 /nfs/dbraw/zinc/76/47/93/568764793.db2.gz BJQSRGFWZBDIPW-UHFFFAOYSA-N 0 0 421.475 3.097 40 5 HGBBRN COc1ccc(-c2noc(CNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c(OC)c1 ZINC000217874301 568917077 /nfs/dbraw/zinc/91/70/77/568917077.db2.gz QETFJSRKJNTHDD-UHFFFAOYSA-N 0 0 418.793 3.245 40 5 HGBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1 ZINC000223628227 569030615 /nfs/dbraw/zinc/03/06/15/569030615.db2.gz XVTFZSUAVXWYDZ-UXHICEINSA-N 0 0 423.498 3.135 40 5 HGBBRN O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1cccc(F)c1 ZINC000016399102 569041155 /nfs/dbraw/zinc/04/11/55/569041155.db2.gz CPMVATSLDQRTBK-UHFFFAOYSA-N 0 0 422.869 3.224 40 5 HGBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1[N+](=O)[O-] ZINC000017082632 569273091 /nfs/dbraw/zinc/27/30/91/569273091.db2.gz MKCMHFKEZUEZRV-UHFFFAOYSA-N 0 0 403.401 3.240 40 5 HGBBRN Cc1cccc(C)c1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000017089902 569273401 /nfs/dbraw/zinc/27/34/01/569273401.db2.gz SJLWPTCJLXNUIW-UHFFFAOYSA-N 0 0 414.487 3.175 40 5 HGBBRN Cc1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1C ZINC000017089884 569273648 /nfs/dbraw/zinc/27/36/48/569273648.db2.gz BKFOAGWJOKSESS-UHFFFAOYSA-N 0 0 414.487 3.175 40 5 HGBBRN COc1ccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1OC ZINC000017091402 569273878 /nfs/dbraw/zinc/27/38/78/569273878.db2.gz OWXYODJFFCFMRV-UHFFFAOYSA-N 0 0 418.456 3.349 40 5 HGBBRN CCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000017087924 569273991 /nfs/dbraw/zinc/27/39/91/569273991.db2.gz AHLSMIYDSYGSLG-IZZDOVSWSA-N 0 0 408.458 3.305 40 5 HGBBRN CCOC(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224775847 569289046 /nfs/dbraw/zinc/28/90/46/569289046.db2.gz RWJMKZCWUFQQKZ-UHFFFAOYSA-N 0 0 406.460 3.224 40 5 HGBBRN CCc1ccc([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 ZINC000224930802 569296993 /nfs/dbraw/zinc/29/69/93/569296993.db2.gz KJKVDAXIUCWIFM-OAHLLOKOSA-N 0 0 419.503 3.109 40 5 HGBBRN CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224980023 569313275 /nfs/dbraw/zinc/31/32/75/569313275.db2.gz GWDKSWHYSLKOCF-MRXNPFEDSA-N 0 0 413.474 3.089 40 5 HGBBRN COC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225026840 569323729 /nfs/dbraw/zinc/32/37/29/569323729.db2.gz CUSGYWQMFXLIPZ-UHFFFAOYSA-N 0 0 419.242 3.270 40 5 HGBBRN COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225059362 569324780 /nfs/dbraw/zinc/32/47/80/569324780.db2.gz AJLSXIAJYGKJRK-UHFFFAOYSA-N 0 0 400.412 3.116 40 5 HGBBRN COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225061569 569324788 /nfs/dbraw/zinc/32/47/88/569324788.db2.gz GHWQPTCFFYYHHC-UHFFFAOYSA-N 0 0 414.439 3.425 40 5 HGBBRN COC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225084921 569325095 /nfs/dbraw/zinc/32/50/95/569325095.db2.gz LQYLLBHSNNNOCB-UHFFFAOYSA-N 0 0 416.814 3.064 40 5 HGBBRN COc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])o2)cc1 ZINC000005788817 569328981 /nfs/dbraw/zinc/32/89/81/569328981.db2.gz UZLVFUUAXVCIBF-UHFFFAOYSA-N 0 0 400.416 3.308 40 5 HGBBRN CCCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000006320238 569330613 /nfs/dbraw/zinc/33/06/13/569330613.db2.gz CICVNUCITBUBRF-UHFFFAOYSA-N 0 0 405.476 3.097 40 5 HGBBRN CS(=O)(=O)N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000008497686 569341728 /nfs/dbraw/zinc/34/17/28/569341728.db2.gz BEZGOALZEMDLSC-UHFFFAOYSA-N 0 0 411.867 3.433 40 5 HGBBRN Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 ZINC000010338876 569343968 /nfs/dbraw/zinc/34/39/68/569343968.db2.gz IZDQSLTXOWRWFM-HNNXBMFYSA-N 0 0 405.476 3.313 40 5 HGBBRN COc1cc(C=C2SC(=O)NC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000214279230 569379611 /nfs/dbraw/zinc/37/96/11/569379611.db2.gz VFHDUVGFFPNFGU-OVCLIPMQSA-N 0 0 400.368 3.147 40 5 HGBBRN COc1cc(OCC(=O)Nc2ccccc2C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000066018030 569393922 /nfs/dbraw/zinc/39/39/22/569393922.db2.gz JXDMKURJEMLOCK-UHFFFAOYSA-N 0 0 401.419 3.007 40 5 HGBBRN COc1cc(OCC(=O)NCCOc2ccc(C(C)(C)C)cc2)ccc1[N+](=O)[O-] ZINC000066017210 569393927 /nfs/dbraw/zinc/39/39/27/569393927.db2.gz XWHCBTYVCPDNNN-UHFFFAOYSA-N 0 0 402.447 3.475 40 5 HGBBRN O=[N+]([O-])c1cnn(Cc2cc(-c3nnc(-c4ccc(Br)cc4)o3)no2)c1 ZINC000066088414 569394070 /nfs/dbraw/zinc/39/40/70/569394070.db2.gz PFFSWGFIOFFMJH-UHFFFAOYSA-N 0 0 417.179 3.307 40 5 HGBBRN O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000010010138 569394885 /nfs/dbraw/zinc/39/48/85/569394885.db2.gz QYBCPKGLADEMPS-UHFFFAOYSA-N 0 0 421.500 3.110 40 5 HGBBRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000010119891 569395177 /nfs/dbraw/zinc/39/51/77/569395177.db2.gz LOURSBQLXAVKOS-UHFFFAOYSA-N 0 0 410.415 3.330 40 5 HGBBRN C[C@@H]1CC[C@@H]2[C@@H](C1)c1c([O-])c(C(=O)NCC[NH+](C)C)cc([N+](=O)[O-])c1OC2(C)C ZINC000257298499 569397847 /nfs/dbraw/zinc/39/78/47/569397847.db2.gz RLZAZCHFHGSQMK-UMVBOHGHSA-N 0 0 405.495 3.283 40 5 HGBBRN O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)n1cccc/c1=N\C1CCCCC1 ZINC000012823930 569403835 /nfs/dbraw/zinc/40/38/35/569403835.db2.gz FPYSUBQUZBHFPM-XTQSDGFTSA-N 0 0 410.474 3.155 40 5 HGBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccco1 ZINC000013370261 569412333 /nfs/dbraw/zinc/41/23/33/569412333.db2.gz PZTNAKQOHOPMHQ-MHWRWJLKSA-N 0 0 421.365 3.326 40 5 HGBBRN CNc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329009667 569423549 /nfs/dbraw/zinc/42/35/49/569423549.db2.gz LWNLIDKZYARZFB-UHFFFAOYSA-N 0 0 419.363 3.448 40 5 HGBBRN Cc1c(Nc2cc(-c3ccncc3)nc(N[C@H](CO)C(C)C)n2)cccc1[N+](=O)[O-] ZINC000328982819 571305571 /nfs/dbraw/zinc/30/55/71/571305571.db2.gz HCPYWGRHALWPCR-GOSISDBHSA-N 0 0 408.462 3.928 40 5 HGBBRN Cc1c(Nc2cc(-c3cccnc3)nc(N[C@H](CO)C(C)C)n2)cccc1[N+](=O)[O-] ZINC000329026287 571305584 /nfs/dbraw/zinc/30/55/84/571305584.db2.gz PLUBZOPGQBBRNZ-GOSISDBHSA-N 0 0 408.462 3.928 40 5 HGBBRN CCc1nnc(-n2ccc3nc4ccn(-c5cccc(Cl)c5)c(=O)c4cc3c2=O)[nH]1 ZINC000040399133 522121533 /nfs/dbraw/zinc/12/15/33/522121533.db2.gz YFSBZJQLKSPVKN-UHFFFAOYSA-N 0 0 418.844 3.024 40 5 HGBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1ccncc1 ZINC000009494752 557844480 /nfs/dbraw/zinc/84/44/80/557844480.db2.gz IFHRHVUFLGTKHK-UHFFFAOYSA-N 0 0 414.447 3.008 40 5 HGBBRN COc1ccc2c(c1)[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)CC(C)(C)O2 ZINC000219827839 558299387 /nfs/dbraw/zinc/29/93/87/558299387.db2.gz AUSMXRRUVBEDOR-INIZCTEOSA-N 0 0 416.430 3.409 40 5 HGBBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000219827981 558299575 /nfs/dbraw/zinc/29/95/75/558299575.db2.gz AJKPTDCKNHZCJI-INIZCTEOSA-N 0 0 416.430 3.409 40 5 HGBBRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716503 558857797 /nfs/dbraw/zinc/85/77/97/558857797.db2.gz NWTMQTGQTORFLM-GOSISDBHSA-N 0 0 405.476 3.395 40 5 HGBBRN Cc1cccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 ZINC000220138332 558998959 /nfs/dbraw/zinc/99/89/59/558998959.db2.gz SMPBKHBLESSIAP-LBPRGKRZSA-N 0 0 411.867 3.350 40 5 HGBBRN Cc1cc(Cl)ccc1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220406568 559074136 /nfs/dbraw/zinc/07/41/36/559074136.db2.gz PFJLLGVSLXKPHA-LBPRGKRZSA-N 0 0 411.867 3.350 40 5 HGBBRN Cc1cc(C)c(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 ZINC000220410155 559076912 /nfs/dbraw/zinc/07/69/12/559076912.db2.gz HLYBXOAGNHJJQI-OAHLLOKOSA-N 0 0 405.476 3.313 40 5 HGBBRN Cc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 ZINC000220421448 559078659 /nfs/dbraw/zinc/07/86/59/559078659.db2.gz XTVMSGXNYREHPP-HOTGVXAUSA-N 0 0 419.503 3.244 40 5 HGBBRN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1cccc(F)c1)S(C)(=O)=O ZINC000220480820 559162677 /nfs/dbraw/zinc/16/26/77/559162677.db2.gz IPMNOBCSJSDQCH-SNVBAGLBSA-N 0 0 415.830 3.181 40 5 HGBBRN CC(C)OC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000014393835 559165316 /nfs/dbraw/zinc/16/53/16/559165316.db2.gz YOQCAWKXDXSRRY-UHFFFAOYSA-N 0 0 413.430 3.249 40 5 HGBBRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000408564183 559218579 /nfs/dbraw/zinc/21/85/79/559218579.db2.gz SKRJJBSVBUUIKL-UHFFFAOYSA-N 0 0 420.443 3.271 40 5 HGBBRN O=C(COc1ccc([N+](=O)[O-])cc1)N1NC2=C(CCCCC2)[C@@]1(O)C(F)(F)F ZINC000408562829 559219164 /nfs/dbraw/zinc/21/91/64/559219164.db2.gz DRQDEYGYBIXICN-CZUORRHYSA-N 0 0 401.341 3.003 40 5 HGBBRN CC[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1)C(=O)c1ccccc1 ZINC000408640116 559222863 /nfs/dbraw/zinc/22/28/63/559222863.db2.gz AJTSIRLELNSILD-LPHOPBHVSA-N 0 0 410.426 3.461 40 5 HGBBRN COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cccc(Br)c1 ZINC000005550229 560607258 /nfs/dbraw/zinc/60/72/58/560607258.db2.gz JEJJDZLHEZGLOO-UHFFFAOYSA-N 0 0 410.249 3.493 40 5 HGBBRN COc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000409021873 560666889 /nfs/dbraw/zinc/66/68/89/560666889.db2.gz CUBFEKACYMFNFN-UHFFFAOYSA-N 0 0 413.430 3.103 40 5 HGBBRN CCOC(=O)c1cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000409202778 560693456 /nfs/dbraw/zinc/69/34/56/560693456.db2.gz UTCMJFILBGNWBY-UHFFFAOYSA-N 0 0 406.778 3.220 40 5 HGBBRN O=c1[nH]nc(-c2ccc(Cl)cc2)c2c1Nc1nnnn1[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000111999922 568440827 /nfs/dbraw/zinc/44/08/27/568440827.db2.gz VLQLALRWOSQUJA-MRXNPFEDSA-N 0 0 422.792 3.092 40 5 HGBBRN Cc1cccc(C)c1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O ZINC000218272001 568477224 /nfs/dbraw/zinc/47/72/24/568477224.db2.gz CMLQDQZUWMPLRT-UHFFFAOYSA-N 0 0 411.867 3.270 40 5 HGBBRN COc1cccc([C@@]2(O)C=C(C(F)(F)F)NN2C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000000827417 568497955 /nfs/dbraw/zinc/49/79/55/568497955.db2.gz NZFCHUKKZJCGNI-KRWDZBQOSA-N 0 0 409.320 3.213 40 5 HGBBRN COc1cc(OC)cc(-c2nc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000019928934 568586040 /nfs/dbraw/zinc/58/60/40/568586040.db2.gz PEWUZWPJZROTSP-UHFFFAOYSA-N 0 0 415.431 3.128 40 5 HGBBRN COCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c(C)n1 ZINC000225872646 568682380 /nfs/dbraw/zinc/68/23/80/568682380.db2.gz PIZKKUSTVUKKTB-UHFFFAOYSA-N 0 0 415.446 3.010 40 5 HGBBRN CC(=O)Nc1ccc(C(C)=O)c(OC(=O)c2cc(F)c(N(C)C)c(F)c2)c1[N+](=O)[O-] ZINC000096028289 568685697 /nfs/dbraw/zinc/68/56/97/568685697.db2.gz UHOOSSHYEJGPLH-UHFFFAOYSA-N 0 0 421.356 3.319 40 5 HGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccccc2)o1 ZINC000033670937 568697592 /nfs/dbraw/zinc/69/75/92/568697592.db2.gz DWVSVGYWWUVPLU-UHFFFAOYSA-N 0 0 416.415 3.296 40 5 HGBBRN CC[C@@H](C(=O)N[C@@H](C)c1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222512725 568761276 /nfs/dbraw/zinc/76/12/76/568761276.db2.gz JOFZSVQUSGKOLX-KSSFIOAISA-N 0 0 405.476 3.017 40 5 HGBBRN COc1ccccc1N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000222581990 568763406 /nfs/dbraw/zinc/76/34/06/568763406.db2.gz GSJIQBSDALEVPT-UHFFFAOYSA-N 0 0 421.475 3.097 40 5 HGBBRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000222684353 568767854 /nfs/dbraw/zinc/76/78/54/568767854.db2.gz GACITXLVVAFGGO-UHFFFAOYSA-N 0 0 411.867 3.433 40 5 HGBBRN O=C(C1CC1)N1CCc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc21 ZINC000225776587 568781551 /nfs/dbraw/zinc/78/15/51/568781551.db2.gz LLHBQUYEPSOVQH-UHFFFAOYSA-N 0 0 421.862 3.348 40 5 HGBBRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC ZINC000015410653 568885555 /nfs/dbraw/zinc/88/55/55/568885555.db2.gz OYUBQWRGEQJBFI-UHFFFAOYSA-N 0 0 421.475 3.195 40 5 HGBBRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223109389 568914088 /nfs/dbraw/zinc/91/40/88/568914088.db2.gz YOWYGVRGNLTCLX-KRWDZBQOSA-N 0 0 403.866 3.344 40 5 HGBBRN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000015638334 568957198 /nfs/dbraw/zinc/95/71/98/568957198.db2.gz HJRXWXDWXLYZSW-CYBMUJFWSA-N 0 0 403.822 3.409 40 5 HGBBRN COc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1N1C(=O)c2ccccc2C1=O ZINC000008111591 568974217 /nfs/dbraw/zinc/97/42/17/568974217.db2.gz DHUOPCVIFFJSIF-UHFFFAOYSA-N 0 0 407.338 3.249 40 5 HGBBRN Cc1c(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000008267620 568985548 /nfs/dbraw/zinc/98/55/48/568985548.db2.gz UZULJQMWSAMREK-UHFFFAOYSA-N 0 0 403.460 3.330 40 5 HGBBRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000223867605 569031980 /nfs/dbraw/zinc/03/19/80/569031980.db2.gz ULJYBBJKFVYPEV-GOSISDBHSA-N 0 0 421.475 3.095 40 5 HGBBRN COc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br ZINC000006275157 569036539 /nfs/dbraw/zinc/03/65/39/569036539.db2.gz NTANIANSSNUCLH-UHFFFAOYSA-N 0 0 410.249 3.493 40 5 HGBBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000006491947 569060640 /nfs/dbraw/zinc/06/06/40/569060640.db2.gz YDKJMIFBCHPHHK-OQLLNIDSSA-N 0 0 402.384 3.454 40 5 HGBBRN NC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Br)sc2c1CCC2 ZINC000006861888 569157754 /nfs/dbraw/zinc/15/77/54/569157754.db2.gz IWEAURTWKANUPK-UHFFFAOYSA-N 0 0 410.249 3.259 40 5 HGBBRN Cc1c(Cl)cccc1NC(=O)COC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000138707208 569179038 /nfs/dbraw/zinc/17/90/38/569179038.db2.gz KUHVALYJAVNXJY-UHFFFAOYSA-N 0 0 419.821 3.457 40 5 HGBBRN CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000139081259 569229579 /nfs/dbraw/zinc/22/95/79/569229579.db2.gz JUEKEPRSEXZQCM-WOJBJXKFSA-N 0 0 419.437 3.494 40 5 HGBBRN O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000007388353 569235863 /nfs/dbraw/zinc/23/58/63/569235863.db2.gz IEDXTZNGZDWGRA-UHFFFAOYSA-N 0 0 407.707 3.360 40 5 HGBBRN CC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2Cl)CC1 ZINC000017090888 569273463 /nfs/dbraw/zinc/27/34/63/569273463.db2.gz PDTAFABXXBKNLL-UHFFFAOYSA-N 0 0 416.865 3.477 40 5 HGBBRN COc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)ccc1NC(=O)C(C)C ZINC000017090594 569273857 /nfs/dbraw/zinc/27/38/57/569273857.db2.gz QRESKKGVSCWGEV-UHFFFAOYSA-N 0 0 416.459 3.325 40 5 HGBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)c(C)n2)cc1[N+](=O)[O-] ZINC000017088161 569274358 /nfs/dbraw/zinc/27/43/58/569274358.db2.gz MHSWCWJVWQNJLQ-UHFFFAOYSA-N 0 0 409.265 3.496 40 5 HGBBRN CCOC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224775494 569289043 /nfs/dbraw/zinc/28/90/43/569289043.db2.gz WRGITAZSECJIIW-UHFFFAOYSA-N 0 0 406.460 3.278 40 5 HGBBRN C[C@H](CNC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1 ZINC000224819927 569290460 /nfs/dbraw/zinc/29/04/60/569290460.db2.gz JJLOVMCZIAOLKD-MRXNPFEDSA-N 0 0 419.503 3.061 40 5 HGBBRN C[C@@H](CNC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1 ZINC000224819875 569290475 /nfs/dbraw/zinc/29/04/75/569290475.db2.gz JJLOVMCZIAOLKD-INIZCTEOSA-N 0 0 419.503 3.061 40 5 HGBBRN COC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225071962 569324045 /nfs/dbraw/zinc/32/40/45/569324045.db2.gz UZESVJHERYIENX-UHFFFAOYSA-N 0 0 406.460 3.395 40 5 HGBBRN CCOC(=O)CN(c1ccccc1CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225071734 569324055 /nfs/dbraw/zinc/32/40/55/569324055.db2.gz ZWCRHQBKTFVUMO-UHFFFAOYSA-N 0 0 406.460 3.224 40 5 HGBBRN CCOC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225072421 569324073 /nfs/dbraw/zinc/32/40/73/569324073.db2.gz LNKUADSRHJRMKE-UHFFFAOYSA-N 0 0 412.851 3.315 40 5 HGBBRN COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225061947 569324821 /nfs/dbraw/zinc/32/48/21/569324821.db2.gz HORQDFNGACTNSO-UHFFFAOYSA-N 0 0 414.439 3.425 40 5 HGBBRN COC(=O)CN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225092407 569325308 /nfs/dbraw/zinc/32/53/08/569325308.db2.gz BUIMAPLIKDBLBC-UHFFFAOYSA-N 0 0 422.459 3.059 40 5 HGBBRN O=C(CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 ZINC000008414620 569340473 /nfs/dbraw/zinc/34/04/73/569340473.db2.gz UELNHZLWPFCBCT-UHFFFAOYSA-N 0 0 405.794 3.149 40 5 HGBBRN Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000008417190 569340679 /nfs/dbraw/zinc/34/06/79/569340679.db2.gz JYTKTHGLFNYLKM-UHFFFAOYSA-N 0 0 417.393 3.333 40 5 HGBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000008475254 569341289 /nfs/dbraw/zinc/34/12/89/569341289.db2.gz DTYVTUWBAXWVJG-UHFFFAOYSA-N 0 0 401.378 3.448 40 5 HGBBRN O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000014629989 569344906 /nfs/dbraw/zinc/34/49/06/569344906.db2.gz DDENKPLLFRABET-UHFFFAOYSA-N 0 0 401.291 3.253 40 5 HGBBRN COC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000113890278 569393492 /nfs/dbraw/zinc/39/34/92/569393492.db2.gz WYMXUXWXYIFZEQ-UHFFFAOYSA-N 0 0 419.242 3.270 40 5 HGBBRN COc1ccc(/C=C2/SC(=N)NC2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000013426749 569413934 /nfs/dbraw/zinc/41/39/34/569413934.db2.gz RYSMTPCABGKXJP-CHHVJCJISA-N 0 0 416.371 3.443 40 5 HGBBRN CC[C@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)cc1 ZINC000044849131 522382051 /nfs/dbraw/zinc/38/20/51/522382051.db2.gz BINWXWOHCJIYOK-SFHVURJKSA-N 0 0 419.503 3.245 40 5 HGBBRN O=c1c2cc3c(ccn(-c4cc[nH]n4)c3=O)nc2ccn1Cc1ccccc1Cl ZINC000040399065 527462461 /nfs/dbraw/zinc/46/24/61/527462461.db2.gz OZAVISJZOAAIEF-UHFFFAOYSA-N 0 0 403.829 3.125 40 5 HGBBRN CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000408684448 557698221 /nfs/dbraw/zinc/69/82/21/557698221.db2.gz NIEYKXFSLDKLSN-WOJBJXKFSA-N 0 0 419.437 3.494 40 5 HGBBRN COc1ccc(OCc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000019929321 558309565 /nfs/dbraw/zinc/30/95/65/558309565.db2.gz CKYLRTOVWGAQBE-UHFFFAOYSA-N 0 0 416.415 3.296 40 5 HGBBRN Cc1ccc(C(O)=C2[C@H](c3cccc([N+](=O)[O-])c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000013582238 558845109 /nfs/dbraw/zinc/84/51/09/558845109.db2.gz TUHGGHNGNPMCAZ-VKJFTORMSA-N 0 0 423.347 3.007 40 5 HGBBRN Cc1ccc(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl ZINC000220361998 559064553 /nfs/dbraw/zinc/06/45/53/559064553.db2.gz MYGPJJQAMLPIMP-GFCCVEGCSA-N 0 0 411.867 3.350 40 5 HGBBRN CCOc1ccccc1NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000220380467 559068393 /nfs/dbraw/zinc/06/83/93/559068393.db2.gz QHIZCRUHCDKZQU-CQSZACIVSA-N 0 0 421.475 3.095 40 5 HGBBRN Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 ZINC000220421317 559078687 /nfs/dbraw/zinc/07/86/87/559078687.db2.gz XTVMSGXNYREHPP-JKSUJKDBSA-N 0 0 419.503 3.244 40 5 HGBBRN O=C(COc1ccc([N+](=O)[O-])cc1)N1NC2=C(CCCCC2)[C@]1(O)C(F)(F)F ZINC000408562828 559218186 /nfs/dbraw/zinc/21/81/86/559218186.db2.gz DRQDEYGYBIXICN-CJNGLKHVSA-N 0 0 401.341 3.003 40 5 HGBBRN 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O=C(CN1C(=O)SC(=Cc2ccccc2[N+](=O)[O-])C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409358981 559248401 /nfs/dbraw/zinc/24/84/01/559248401.db2.gz VCUBITDRSFSYKD-CXUHLZMHSA-N 0 0 413.367 3.422 40 5 HGBBRN O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000004130544 560599607 /nfs/dbraw/zinc/59/96/07/560599607.db2.gz NORRGEVRFGXETI-UHFFFAOYSA-N 0 0 406.427 3.455 40 5 HGBBRN O=C(CNc1ccc([N+](=O)[O-])cc1)Nn1c(=O)c2ccccc2nc1-c1ccccc1 ZINC000005593758 560627769 /nfs/dbraw/zinc/62/77/69/560627769.db2.gz JHVVRIIJOGGHPS-UHFFFAOYSA-N 0 0 415.409 3.154 40 5 HGBBRN OCCNC(=S)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000408974708 560660032 /nfs/dbraw/zinc/66/00/32/560660032.db2.gz CDZITXIVIHROKV-UHFFFAOYSA-N 0 0 400.467 3.158 40 5 HGBBRN C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000101455713 560795068 /nfs/dbraw/zinc/79/50/68/560795068.db2.gz NVXHZMNTASVJHT-SECBINFHSA-N 0 0 406.311 3.232 40 5 HGBBRN CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000014291097 560840985 /nfs/dbraw/zinc/84/09/85/560840985.db2.gz VDWOCQZSSBSMKU-UHFFFAOYSA-N 0 0 420.853 3.398 40 5 HGBBRN O=C1c2cccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)c2C(=O)N1c1ccccc1 ZINC000020523088 568625625 /nfs/dbraw/zinc/62/56/25/568625625.db2.gz VFMMNDNFCQOILI-UHFFFAOYSA-N 0 0 413.345 3.196 40 5 HGBBRN CCOc1ccc([C@@H](N)c2nc(COc3cccc([N+](=O)[O-])c3)n[nH]2)cc1OCC ZINC000095534583 568635715 /nfs/dbraw/zinc/63/57/15/568635715.db2.gz YJMCKFSVJRJQGD-LJQANCHMSA-N 0 0 413.434 3.137 40 5 HGBBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000020798553 568643734 /nfs/dbraw/zinc/64/37/34/568643734.db2.gz RLLIYWPNNZNCFT-GOSISDBHSA-N 0 0 423.425 3.424 40 5 HGBBRN COc1ccc(C(=O)NC(=S)Nc2c3nsnc3ccc2C)cc1[N+](=O)[O-] ZINC000059438672 568704015 /nfs/dbraw/zinc/70/40/15/568704015.db2.gz NSBFZKRTDVMIJZ-UHFFFAOYSA-N 0 0 403.445 3.043 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O ZINC000222373998 568752546 /nfs/dbraw/zinc/75/25/46/568752546.db2.gz LCPKVNZUZCMDDI-UHFFFAOYSA-N 0 0 413.540 3.246 40 5 HGBBRN Cc1cc(C(=O)Oc2ccc3cc(C(=O)NC(C)C)c(=O)oc3c2)ccc1[N+](=O)[O-] ZINC000000941594 568752894 /nfs/dbraw/zinc/75/28/94/568752894.db2.gz JVVHBDBIMHWAMG-UHFFFAOYSA-N 0 0 410.382 3.367 40 5 HGBBRN CC[C@H](C(=O)Nc1ccc(C)c(C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222513851 568761349 /nfs/dbraw/zinc/76/13/49/568761349.db2.gz DOYPVDFWBSAOAP-GOSISDBHSA-N 0 0 405.476 3.395 40 5 HGBBRN CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc21 ZINC000225557587 568773306 /nfs/dbraw/zinc/77/33/06/568773306.db2.gz LVVQDPYTSFNDJA-UHFFFAOYSA-N 0 0 409.851 3.348 40 5 HGBBRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222889960 568822813 /nfs/dbraw/zinc/82/28/13/568822813.db2.gz INOCAARSBHZXPV-CQSZACIVSA-N 0 0 403.866 3.344 40 5 HGBBRN CC1=NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2N1CC(C)C ZINC000223121182 568914227 /nfs/dbraw/zinc/91/42/27/568914227.db2.gz UFVNBZJGCAJHQI-UHFFFAOYSA-N 0 0 416.459 3.430 40 5 HGBBRN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218456120 568933458 /nfs/dbraw/zinc/93/34/58/568933458.db2.gz WUNFDTJMRRFTHF-SNVBAGLBSA-N 0 0 415.830 3.181 40 5 HGBBRN O=C(Nc1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000006124914 569009434 /nfs/dbraw/zinc/00/94/34/569009434.db2.gz OMRAPAFMCDWNSU-UHFFFAOYSA-N 0 0 406.236 3.446 40 5 HGBBRN NC(=O)c1c(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCC2 ZINC000016385773 569040078 /nfs/dbraw/zinc/04/00/78/569040078.db2.gz GGVCYJPJDUDNHD-UHFFFAOYSA-N 0 0 424.891 3.024 40 5 HGBBRN O=C(CSc1nnc(Cn2cnc3ccccc32)o1)Nc1cccc([N+](=O)[O-])c1 ZINC000006446988 569052709 /nfs/dbraw/zinc/05/27/09/569052709.db2.gz RHWBGMNDIBXKJX-UHFFFAOYSA-N 0 0 410.415 3.107 40 5 HGBBRN Cc1cccc(C)c1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017089905 569273396 /nfs/dbraw/zinc/27/33/96/569273396.db2.gz AYFSVCBSESHSBG-UHFFFAOYSA-N 0 0 414.487 3.175 40 5 HGBBRN 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O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccc(Cl)cc1 ZINC000007881653 569338163 /nfs/dbraw/zinc/33/81/63/569338163.db2.gz XCEASQRPWJDVTJ-CYBMUJFWSA-N 0 0 402.790 3.027 40 5 HGBBRN Cc1cccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000008040858 569339168 /nfs/dbraw/zinc/33/91/68/569339168.db2.gz ZNRBONPEULNUBJ-UHFFFAOYSA-N 0 0 405.476 3.397 40 5 HGBBRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC000008318263 569340042 /nfs/dbraw/zinc/34/00/42/569340042.db2.gz HQJROSKJDRBYFN-MRXNPFEDSA-N 0 0 417.487 3.251 40 5 HGBBRN CCc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000008417315 569340761 /nfs/dbraw/zinc/34/07/61/569340761.db2.gz ZZMHQWSAYSJPBT-UHFFFAOYSA-N 0 0 413.430 3.448 40 5 HGBBRN COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000008433941 569340997 /nfs/dbraw/zinc/34/09/97/569340997.db2.gz QDIPWVAZHRHARK-UHFFFAOYSA-N 0 0 418.377 3.277 40 5 HGBBRN COc1ccc(S(=O)(=O)Oc2cc(C)nn2-c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000011691494 569363690 /nfs/dbraw/zinc/36/36/90/569363690.db2.gz ZPJQADQHMWERSR-UHFFFAOYSA-N 0 0 403.416 3.174 40 5 HGBBRN CCOc1cc(OCC)cc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000008902398 569390818 /nfs/dbraw/zinc/39/08/18/569390818.db2.gz PGAJAWXODFZVBK-UHFFFAOYSA-N 0 0 415.446 3.481 40 5 HGBBRN C[C@H]1CCCN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)C1 ZINC000010541181 569396573 /nfs/dbraw/zinc/39/65/73/569396573.db2.gz DTLDOTMONPTIDW-INIZCTEOSA-N 0 0 417.487 3.049 40 5 HGBBRN CC(C)c1ccc(C(=O)N2CCN(c3ccc(-n4cnnc4)cc3[N+](=O)[O-])CC2)cc1 ZINC000070461905 569410492 /nfs/dbraw/zinc/41/04/92/569410492.db2.gz WWEACJCCBGYQTM-UHFFFAOYSA-N 0 0 420.473 3.261 40 5 HGBBRN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(N(C)C)cc1[N+](=O)[O-] ZINC000019204756 569414375 /nfs/dbraw/zinc/41/43/75/569414375.db2.gz ZZHCJKUNCQSQQA-UHFFFAOYSA-N 0 0 417.462 3.022 40 5 HGBBRN CC(C)[C@@H](CO)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(C(F)(F)F)n1 ZINC000329017860 569423547 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3.228 40 5 HGBBRN O=C(c1ccc([N+](=O)[O-])cc1)N1NC(C(F)(F)F)=C[C@@]1(O)c1cccc([N+](=O)[O-])c1 ZINC000013590484 558845852 /nfs/dbraw/zinc/84/58/52/558845852.db2.gz WFXYNCRZKYHEMJ-MRXNPFEDSA-N 0 0 424.291 3.113 40 5 HGBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715729 558857984 /nfs/dbraw/zinc/85/79/84/558857984.db2.gz XLAJFHKUAHZTFV-QGZVFWFLSA-N 0 0 409.439 3.226 40 5 HGBBRN Cc1ccc(C)c([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 ZINC000220032705 558945854 /nfs/dbraw/zinc/94/58/54/558945854.db2.gz BJQNURBSHPFNFB-INIZCTEOSA-N 0 0 419.503 3.163 40 5 HGBBRN CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000220044460 558971327 /nfs/dbraw/zinc/97/13/27/558971327.db2.gz UHUYMACEVLYJHO-UHFFFAOYSA-N 0 0 417.365 3.018 40 5 HGBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(I)cc2)c1 ZINC000020460050 558985019 /nfs/dbraw/zinc/98/50/19/558985019.db2.gz RSCVPLGLOHUMBI-UHFFFAOYSA-N 0 0 418.212 3.141 40 5 HGBBRN CCc1ccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000220276375 559023721 /nfs/dbraw/zinc/02/37/21/559023721.db2.gz HMLORCVPNLPNHX-CQSZACIVSA-N 0 0 405.476 3.259 40 5 HGBBRN Cc1ccc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C ZINC000220379033 559065894 /nfs/dbraw/zinc/06/58/94/559065894.db2.gz CTPODZLWODJNGD-HNNXBMFYSA-N 0 0 405.476 3.313 40 5 HGBBRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000220395731 559069021 /nfs/dbraw/zinc/06/90/21/559069021.db2.gz SQCMYQLCWQDXMB-CVEARBPZSA-N 0 0 419.503 3.244 40 5 HGBBRN CSc1cccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000220408707 559074244 /nfs/dbraw/zinc/07/42/44/559074244.db2.gz IJJSHPTYYSGLSD-LBPRGKRZSA-N 0 0 409.489 3.110 40 5 HGBBRN O=[N+]([O-])c1c(Cl)ccc(I)c1I ZINC000098211024 559173029 /nfs/dbraw/zinc/17/30/29/559173029.db2.gz CQWUELCVOWBNPU-UHFFFAOYSA-N 0 0 409.348 3.457 40 5 HGBBRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccccc1F)S(C)(=O)=O ZINC000220596405 559173904 /nfs/dbraw/zinc/17/39/04/559173904.db2.gz LJAHVNGWRUKZMC-OAHLLOKOSA-N 0 0 409.439 3.226 40 5 HGBBRN CCOc1ccc(NC(=O)N2CCC(NC(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000004888446 559196676 /nfs/dbraw/zinc/19/66/76/559196676.db2.gz UDZKSCMCFGUABT-UHFFFAOYSA-N 0 0 412.446 3.420 40 5 HGBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(N)=O ZINC000408555665 559218000 /nfs/dbraw/zinc/21/80/00/559218000.db2.gz GZTLTBCFYXYKPT-UHFFFAOYSA-N 0 0 424.251 3.232 40 5 HGBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)cc1 ZINC000408565270 559218362 /nfs/dbraw/zinc/21/83/62/559218362.db2.gz BLUNMNIXBKWOIU-SFHVURJKSA-N 0 0 414.443 3.423 40 5 HGBBRN Cc1c(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000408583656 559220015 /nfs/dbraw/zinc/22/00/15/559220015.db2.gz JFSPURDPHNKCAF-UHFFFAOYSA-N 0 0 419.503 3.409 40 5 HGBBRN Cc1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000408629129 559221944 /nfs/dbraw/zinc/22/19/44/559221944.db2.gz ZSGWPYPIJKCAQI-UHFFFAOYSA-N 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Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cc1 ZINC000005022731 559229631 /nfs/dbraw/zinc/22/96/31/559229631.db2.gz WMWBOAYAJOAHIE-UHFFFAOYSA-N 0 0 413.459 3.342 40 5 HGBBRN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)c1 ZINC000005022878 559229674 /nfs/dbraw/zinc/22/96/74/559229674.db2.gz FGJDERDDVVBNGL-UHFFFAOYSA-N 0 0 413.459 3.342 40 5 HGBBRN CCc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000409180515 559243647 /nfs/dbraw/zinc/24/36/47/559243647.db2.gz YXDRTLMHNMVAEW-UHFFFAOYSA-N 0 0 414.414 3.311 40 5 HGBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000409178690 559243678 /nfs/dbraw/zinc/24/36/78/559243678.db2.gz HMYNTIDYXPZJNC-HDICACEKSA-N 0 0 406.394 3.407 40 5 HGBBRN COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409189623 559244451 /nfs/dbraw/zinc/24/44/51/559244451.db2.gz LSQUJCPWTZVUFF-OVCLIPMQSA-N 0 0 417.805 3.358 40 5 HGBBRN CCOC(=O)c1cccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000409391670 559249211 /nfs/dbraw/zinc/24/92/11/559249211.db2.gz KMNPVXGAEFIPAD-UHFFFAOYSA-N 0 0 400.416 3.379 40 5 HGBBRN CCn1c(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nnc1-c1ccccc1O ZINC000409412312 559249692 /nfs/dbraw/zinc/24/96/92/559249692.db2.gz HZRFKCBTNZPKNY-UHFFFAOYSA-N 0 0 417.422 3.449 40 5 HGBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000004861748 560614104 /nfs/dbraw/zinc/61/41/04/560614104.db2.gz XYZGFVZBXSZHNG-UHFFFAOYSA-N 0 0 409.446 3.298 40 5 HGBBRN O=C(COC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000409002324 560664081 /nfs/dbraw/zinc/66/40/81/560664081.db2.gz NFIBSDZYZNISNH-GOSISDBHSA-N 0 0 412.398 3.122 40 5 HGBBRN COCCN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O ZINC000409142151 560683587 /nfs/dbraw/zinc/68/35/87/560683587.db2.gz LMCRYXKPNOVGNB-XNTDXEJSSA-N 0 0 401.400 3.465 40 5 HGBBRN CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409248041 560701819 /nfs/dbraw/zinc/70/18/19/560701819.db2.gz 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O=C(Nc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000004895934 559198076 /nfs/dbraw/zinc/19/80/76/559198076.db2.gz IJKLFOOBQYDCNN-UHFFFAOYSA-N 0 0 406.236 3.446 40 5 HGBBRN Cc1n[nH]c(C)c1N1C(=O)c2cccc3c2c(cc([N+](=O)[O-])c3N2CCCC2)C1=O ZINC000408536438 559216732 /nfs/dbraw/zinc/21/67/32/559216732.db2.gz WMCNYMAGMGXFFU-UHFFFAOYSA-N 0 0 405.414 3.489 40 5 HGBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])c(OC)c2)nnc1-c1ccco1 ZINC000408559014 559217286 /nfs/dbraw/zinc/21/72/86/559217286.db2.gz WZVSEXIOXOZFRE-UHFFFAOYSA-N 0 0 403.420 3.206 40 5 HGBBRN Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000408586387 559219987 /nfs/dbraw/zinc/21/99/87/559219987.db2.gz OIFIOBKFCSOXPJ-UHFFFAOYSA-N 0 0 418.431 3.430 40 5 HGBBRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC ZINC000408588028 559220008 /nfs/dbraw/zinc/22/00/08/559220008.db2.gz WDIUBJPVUNBRAG-UHFFFAOYSA-N 0 0 409.420 3.281 40 5 HGBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(=O)c2c(C)csc2[nH]1 ZINC000408597870 559221422 /nfs/dbraw/zinc/22/14/22/559221422.db2.gz VDGKOAPCIBAMLY-UHFFFAOYSA-N 0 0 406.445 3.353 40 5 HGBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21 ZINC000408679966 559224142 /nfs/dbraw/zinc/22/41/42/559224142.db2.gz FQELNGGOUIPYJL-CDHQVMDDSA-N 0 0 419.437 3.349 40 5 HGBBRN Cc1cc(C)n(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3nc2-n2nc(C)cc2C)n1 ZINC000408722513 559225353 /nfs/dbraw/zinc/22/53/53/559225353.db2.gz VENONHJABIMJQS-UHFFFAOYSA-N 0 0 408.378 3.051 40 5 HGBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000409176101 559243657 /nfs/dbraw/zinc/24/36/57/559243657.db2.gz HKHOZOXYMXBHSB-RTBURBONSA-N 0 0 406.394 3.407 40 5 HGBBRN O=C(COC(=O)c1ccc(Cn2nnc3ccccc32)cc1)c1cccc([N+](=O)[O-])c1 ZINC000409183923 559243843 /nfs/dbraw/zinc/24/38/43/559243843.db2.gz VCFTWNVTKIZCEN-UHFFFAOYSA-N 0 0 416.393 3.428 40 5 HGBBRN O=C1N/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 ZINC000409333490 559247762 /nfs/dbraw/zinc/24/77/62/559247762.db2.gz TZVKMSUMVKRYSR-ZSOIEALJSA-N 0 0 402.204 3.450 40 5 HGBBRN COc1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1O ZINC000409350142 559247992 /nfs/dbraw/zinc/24/79/92/559247992.db2.gz SQPVNAMEAWRPCN-RQZCQDPDSA-N 0 0 414.395 3.228 40 5 HGBBRN Cc1ccc(NC(=O)CSc2nnc(COc3ccc([N+](=O)[O-])cc3)n2C)cc1 ZINC000005008305 560619829 /nfs/dbraw/zinc/61/98/29/560619829.db2.gz SVMIVDYJEIDXAT-UHFFFAOYSA-N 0 0 413.459 3.342 40 5 HGBBRN CCn1nc(C)c(N2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c43)C2=O)c1C ZINC000408978059 560660690 /nfs/dbraw/zinc/66/06/90/560660690.db2.gz XZQMUURBUKTSIX-UHFFFAOYSA-N 0 0 409.358 3.290 40 5 HGBBRN COc1cccc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1OC(C)C ZINC000409014515 560666288 /nfs/dbraw/zinc/66/62/88/560666288.db2.gz PZHCZOGKJOWZPH-BOPFTXTBSA-N 0 0 411.414 3.484 40 5 HGBBRN CCOC(=O)[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)OCC)c1ccc([N+](=O)[O-])cc1 ZINC000017146120 560700201 /nfs/dbraw/zinc/70/02/01/560700201.db2.gz COXAROUYLKIQFD-HDICACEKSA-N 0 0 416.386 3.497 40 5 HGBBRN Cc1ccc(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1C ZINC000409409656 560722844 /nfs/dbraw/zinc/72/28/44/560722844.db2.gz PSVUASSRBVDMTD-OAHLLOKOSA-N 0 0 405.476 3.313 40 5 HGBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)N1CCCCC1 ZINC000106758020 560893698 /nfs/dbraw/zinc/89/36/98/560893698.db2.gz XLPZIQHBJCBCCY-ZROIWOOFSA-N 0 0 409.851 3.297 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCC1=CCCCC1)S(C)(=O)=O ZINC000224853648 568600429 /nfs/dbraw/zinc/60/04/29/568600429.db2.gz BVYMJZQCZWIHTH-UHFFFAOYSA-N 0 0 409.508 3.066 40 5 HGBBRN CCOc1ccc([C@@H](N)c2n[nH]c(-c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1OCC ZINC000095534615 568635621 /nfs/dbraw/zinc/63/56/21/568635621.db2.gz LHBBYOSFROXWCH-GOSISDBHSA-N 0 0 413.434 3.234 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000222655887 568766838 /nfs/dbraw/zinc/76/68/38/568766838.db2.gz YFNYVBLQQJKGHH-UHFFFAOYSA-N 0 0 409.439 3.227 40 5 HGBBRN CS(=O)(=O)N(CCCC(=O)Nc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000222684259 568767916 /nfs/dbraw/zinc/76/79/16/568767916.db2.gz JVEOWPBKYUNRME-UHFFFAOYSA-N 0 0 411.867 3.433 40 5 HGBBRN CCCn1c2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2sc1=O ZINC000225726566 568779705 /nfs/dbraw/zinc/77/97/05/568779705.db2.gz JBMOXWNBNZOBSG-UHFFFAOYSA-N 0 0 407.473 3.490 40 5 HGBBRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222890019 568822919 /nfs/dbraw/zinc/82/29/19/568822919.db2.gz INOCAARSBHZXPV-AWEZNQCLSA-N 0 0 403.866 3.344 40 5 HGBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)/N=c1\sccn1Cc1ccccc1Cl ZINC000003568820 568915862 /nfs/dbraw/zinc/91/58/62/568915862.db2.gz RLSNOFSWLBPCML-ZPHPHTNESA-N 0 0 421.818 3.037 40 5 HGBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223154327 568915962 /nfs/dbraw/zinc/91/59/62/568915962.db2.gz HZXFWFZSZDWRIN-KRWDZBQOSA-N 0 0 403.866 3.344 40 5 HGBBRN COc1ccc(C(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)cc1[N+](=O)[O-] ZINC000059294136 568950231 /nfs/dbraw/zinc/95/02/31/568950231.db2.gz LMKMSJOKIJKKKJ-UHFFFAOYSA-N 0 0 410.415 3.330 40 5 HGBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)o1 ZINC000223592123 569030627 /nfs/dbraw/zinc/03/06/27/569030627.db2.gz SXMUFNMQYGUXPA-MOPGFXCFSA-N 0 0 410.455 3.215 40 5 HGBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)cc1 ZINC000223628477 569030676 /nfs/dbraw/zinc/03/06/76/569030676.db2.gz DGBKIUYOSLNIID-VQTJNVASSA-N 0 0 423.498 3.135 40 5 HGBBRN Cn1c(=O)c2ccc3c4ccc5c(=O)oc(=O)c6ccc(c7ccc(c1=O)c2c37)c4c56 ZINC000104218147 569051347 /nfs/dbraw/zinc/05/13/47/569051347.db2.gz CKXUJYSENMCNSX-UHFFFAOYSA-N 0 0 405.365 3.292 40 5 HGBBRN O=C(CSc1nnc(Cn2cnc3ccccc32)o1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006446986 569052695 /nfs/dbraw/zinc/05/26/95/569052695.db2.gz JILBXJPISVZSEU-UHFFFAOYSA-N 0 0 410.415 3.107 40 5 HGBBRN CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224355411 569059708 /nfs/dbraw/zinc/05/97/08/569059708.db2.gz NTQNWAAOAPVYGV-SFHVURJKSA-N 0 0 401.438 3.220 40 5 HGBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000017087502 569273055 /nfs/dbraw/zinc/27/30/55/569273055.db2.gz JOSDZIWPVFYENS-UHFFFAOYSA-N 0 0 406.782 3.245 40 5 HGBBRN CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000224817502 569290485 /nfs/dbraw/zinc/29/04/85/569290485.db2.gz NPQHYABUWLTRLK-UHFFFAOYSA-N 0 0 400.840 3.481 40 5 HGBBRN O=C(CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccccc1Cl ZINC000008413729 569340437 /nfs/dbraw/zinc/34/04/37/569340437.db2.gz CTAMVUBFNKJZEM-UHFFFAOYSA-N 0 0 405.794 3.149 40 5 HGBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000008475089 569341237 /nfs/dbraw/zinc/34/12/37/569341237.db2.gz BMOPIXBEPODRPS-RTBURBONSA-N 0 0 405.410 3.103 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1C(C)C)S(C)(=O)=O ZINC000010337962 569344007 /nfs/dbraw/zinc/34/40/07/569344007.db2.gz MVZYIUOOCWFZGY-UHFFFAOYSA-N 0 0 405.476 3.431 40 5 HGBBRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000015787629 569345084 /nfs/dbraw/zinc/34/50/84/569345084.db2.gz HWVRCSAUZWWKTP-UHFFFAOYSA-N 0 0 401.291 3.253 40 5 HGBBRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225214660 569375047 /nfs/dbraw/zinc/37/50/47/569375047.db2.gz GAYJLBGVPQQRPJ-MRXNPFEDSA-N 0 0 415.515 3.300 40 5 HGBBRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc([N+](=O)[O-])o4)c3)nn12 ZINC000010010273 569394932 /nfs/dbraw/zinc/39/49/32/569394932.db2.gz QQCOJRBWWVTFCI-UHFFFAOYSA-N 0 0 414.403 3.177 40 5 HGBBRN CCc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000260772579 569409746 /nfs/dbraw/zinc/40/97/46/569409746.db2.gz USUXIOVLXDUXQW-GJZGRUSLSA-N 0 0 419.503 3.189 40 5 HGBBRN COc1ccc([C@@H](C[N+](=O)[O-])c2c3ccccc3n(C)c2CNC(C)=O)c(OC)c1 ZINC000261365377 569413359 /nfs/dbraw/zinc/41/33/59/569413359.db2.gz RTSCHRSVDZDRFX-GOSISDBHSA-N 0 0 411.458 3.240 40 5 HGBBRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2cccnc2)n1 ZINC000328965515 571306068 /nfs/dbraw/zinc/30/60/68/571306068.db2.gz CDIGZTOOMCGJOG-QGZVFWFLSA-N 0 0 412.425 3.758 40 5 HGBBRN COc1ccc(Nc2cc(-c3cccnc3)nc(N[C@@H](CO)C(C)C)n2)c([N+](=O)[O-])c1 ZINC000328988271 571309289 /nfs/dbraw/zinc/30/92/89/571309289.db2.gz IFTFUIWFGRQNAG-SFHVURJKSA-N 0 0 424.461 3.628 40 5 HGBBRN O=C1NN(c2ccc([N+](=O)[O-])cc2)C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]12 ZINC000004852558 132290589 /nfs/dbraw/zinc/29/05/89/132290589.db2.gz UZUZWSQZFIGCNM-QZNJRLLKSA-N 0 0 411.417 3.496 40 5 HGBBRN Cc1c(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000006414913 132310862 /nfs/dbraw/zinc/31/08/62/132310862.db2.gz KYNPHGLNYRPZSF-UHFFFAOYSA-N 0 0 410.474 3.460 40 5 HGBBRN CNc1cc(N2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)ccc1[N+](=O)[O-] ZINC000013633015 132458478 /nfs/dbraw/zinc/45/84/78/132458478.db2.gz QWSFTHHPGGFALT-UHFFFAOYSA-N 0 0 404.854 3.261 40 5 HGBBRN COc1cccc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@](O)(C(F)(F)F)C2)c1 ZINC000032101331 525858971 /nfs/dbraw/zinc/85/89/71/525858971.db2.gz BQKSXROVXYMJTH-KRWDZBQOSA-N 0 0 409.320 3.105 40 5 HGBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000408687699 557701303 /nfs/dbraw/zinc/70/13/03/557701303.db2.gz UTIPWBOGCOEREL-IYBDPMFKSA-N 0 0 423.400 3.243 40 5 HGBBRN Cc1ccc(C)n1NC(=O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000008475729 557792688 /nfs/dbraw/zinc/79/26/88/557792688.db2.gz SYOMHPHIMUCPAA-UHFFFAOYSA-N 0 0 404.382 3.198 40 5 HGBBRN COc1ccc2c(c1)[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)CC(C)(C)O2 ZINC000219827898 558299359 /nfs/dbraw/zinc/29/93/59/558299359.db2.gz AUSMXRRUVBEDOR-MRXNPFEDSA-N 0 0 416.430 3.409 40 5 HGBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)C1CCC(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)CC1 ZINC000004544738 558662029 /nfs/dbraw/zinc/66/20/29/558662029.db2.gz CFDWYVNTLZLSIP-FEXKMXLESA-N 0 0 411.458 3.123 40 5 HGBBRN Cc1ccc([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1C ZINC000220037390 558945537 /nfs/dbraw/zinc/94/55/37/558945537.db2.gz YNUMXMLJFZOTHQ-INIZCTEOSA-N 0 0 419.503 3.163 40 5 HGBBRN Cc1c(NC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220107284 558993277 /nfs/dbraw/zinc/99/32/77/558993277.db2.gz QIGFHVRMVCMJDP-UHFFFAOYSA-N 0 0 421.475 3.095 40 5 HGBBRN CSc1cccc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000220387113 559068420 /nfs/dbraw/zinc/06/84/20/559068420.db2.gz VXWYIHVNVQTYFV-CYBMUJFWSA-N 0 0 423.516 3.418 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)N1CCCc2ccccc21)S(C)(=O)=O ZINC000220392513 559068878 /nfs/dbraw/zinc/06/88/78/559068878.db2.gz GROYQMUSOMDFEH-OAHLLOKOSA-N 0 0 417.487 3.037 40 5 HGBBRN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220406716 559074143 /nfs/dbraw/zinc/07/41/43/559074143.db2.gz BOJNKIRHPJQZBS-LBPRGKRZSA-N 0 0 411.867 3.350 40 5 HGBBRN COc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229579 559169925 /nfs/dbraw/zinc/16/99/25/559169925.db2.gz ZTQMHDMAVWEREF-UHFFFAOYSA-N 0 0 404.854 3.261 40 5 HGBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220509238 559172587 /nfs/dbraw/zinc/17/25/87/559172587.db2.gz GVRJWGRLDPVHHZ-GOSISDBHSA-N 0 0 405.476 3.395 40 5 HGBBRN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220648612 559175942 /nfs/dbraw/zinc/17/59/42/559175942.db2.gz UHXCZMCCBNLXSS-KRWDZBQOSA-N 0 0 421.475 3.095 40 5 HGBBRN CCOc1ccc(N([C@@H](CC)C(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220671254 559176466 /nfs/dbraw/zinc/17/64/66/559176466.db2.gz IPPHJHFQNSCOMC-SFHVURJKSA-N 0 0 421.475 3.177 40 5 HGBBRN COc1cc(NC(=O)CSc2nnc(Cc3ccccc3)o2)ccc1[N+](=O)[O-] ZINC000408553788 559217254 /nfs/dbraw/zinc/21/72/54/559217254.db2.gz QNABAOHQOQQELE-UHFFFAOYSA-N 0 0 400.416 3.308 40 5 HGBBRN CCOc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc1OCC ZINC000408566453 559218553 /nfs/dbraw/zinc/21/85/53/559218553.db2.gz OFOLGAZSUXBJCX-LVWPNOBMSA-N 0 0 411.458 3.006 40 5 HGBBRN Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C(=O)NCC(C)C ZINC000408584270 559220006 /nfs/dbraw/zinc/22/00/06/559220006.db2.gz NRLRFMKPCBFCHT-UHFFFAOYSA-N 0 0 405.476 3.398 40 5 HGBBRN Cn1c(Sc2ccc([N+](=O)[O-])cn2)nnc1-c1cc(Br)ccc1O ZINC000408606810 559221187 /nfs/dbraw/zinc/22/11/87/559221187.db2.gz QHTGBZATMLACEI-UHFFFAOYSA-N 0 0 408.237 3.405 40 5 HGBBRN COc1ccccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000408628201 559222096 /nfs/dbraw/zinc/22/20/96/559222096.db2.gz QSGSFWKZPYFFLZ-UHFFFAOYSA-N 0 0 400.460 3.330 40 5 HGBBRN Cc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1C ZINC000408659660 559223323 /nfs/dbraw/zinc/22/33/23/559223323.db2.gz WFMZCYYGTCEUFN-KRWDZBQOSA-N 0 0 410.426 3.299 40 5 HGBBRN Cc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1C ZINC000408659983 559223410 /nfs/dbraw/zinc/22/34/10/559223410.db2.gz 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Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1)S(C)(=O)=O ZINC000260588497 559274669 /nfs/dbraw/zinc/27/46/69/559274669.db2.gz KCGSHTXKDHTCCN-ZIAGYGMSSA-N 0 0 423.466 3.074 40 5 HGBBRN O=C(CN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1F ZINC000408932880 560655830 /nfs/dbraw/zinc/65/58/30/560655830.db2.gz FKHHYZNFJAWTBS-DHDCSXOGSA-N 0 0 401.375 3.409 40 5 HGBBRN COC(=O)C(=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)OC ZINC000409081217 560673834 /nfs/dbraw/zinc/67/38/34/560673834.db2.gz NDQUESRCAQHPMX-UHFFFAOYSA-N 0 0 402.315 3.025 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000409249604 560702027 /nfs/dbraw/zinc/70/20/27/560702027.db2.gz JZEFITCWAACOMA-UHFFFAOYSA-N 0 0 405.476 3.161 40 5 HGBBRN O=C(Nc1nc2ccc(F)cc2s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000004896272 560736903 /nfs/dbraw/zinc/73/69/03/560736903.db2.gz OCUWJPYFFWTSGK-UHFFFAOYSA-N 0 0 402.407 3.433 40 5 HGBBRN 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415.265 3.499 40 5 HGBBRN CCOC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225004875 569322037 /nfs/dbraw/zinc/32/20/37/569322037.db2.gz DKBBNABPTQHUQA-UHFFFAOYSA-N 0 0 412.851 3.315 40 5 HGBBRN CCOC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225070314 569324779 /nfs/dbraw/zinc/32/47/79/569324779.db2.gz GGWRKLLBGPQXQY-UHFFFAOYSA-N 0 0 406.460 3.278 40 5 HGBBRN COC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225081538 569325131 /nfs/dbraw/zinc/32/51/31/569325131.db2.gz RHCXWIQMCJVHTP-UHFFFAOYSA-N 0 0 412.851 3.233 40 5 HGBBRN COc1ccc(OCc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2C)cc1 ZINC000006223891 569329960 /nfs/dbraw/zinc/32/99/60/569329960.db2.gz MBDRLEKRYKSKDB-UHFFFAOYSA-N 0 0 414.443 3.286 40 5 HGBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(Cl)cc1 ZINC000007881387 569338054 /nfs/dbraw/zinc/33/80/54/569338054.db2.gz YJIUNFYPZKBBHC-CYBMUJFWSA-N 0 0 402.790 3.027 40 5 HGBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000007881575 569338105 /nfs/dbraw/zinc/33/81/05/569338105.db2.gz SQBGQSFDQJIACB-CYBMUJFWSA-N 0 0 402.790 3.027 40 5 HGBBRN CCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000007882605 569338328 /nfs/dbraw/zinc/33/83/28/569338328.db2.gz QOZWMAYMGITYJK-OAHLLOKOSA-N 0 0 411.414 3.153 40 5 HGBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2ccccc2)n1C ZINC000008336312 569340068 /nfs/dbraw/zinc/34/00/68/569340068.db2.gz BRTOQBKKMJILFC-UHFFFAOYSA-N 0 0 413.459 3.342 40 5 HGBBRN O=C(CCCC(=O)OCC(=O)Nc1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000008417265 569340707 /nfs/dbraw/zinc/34/07/07/569340707.db2.gz HTKXSUCTJNKVLV-UHFFFAOYSA-N 0 0 403.366 3.025 40 5 HGBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000008475109 569341190 /nfs/dbraw/zinc/34/11/90/569341190.db2.gz XKIZUHKKVZDWAF-RTBURBONSA-N 0 0 407.426 3.327 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N ZINC000008659221 569341875 /nfs/dbraw/zinc/34/18/75/569341875.db2.gz FPJBRRCFMAGMDY-UHFFFAOYSA-N 0 0 418.866 3.260 40 5 HGBBRN CSc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)N1CCCC1 ZINC000026114992 569349912 /nfs/dbraw/zinc/34/99/12/569349912.db2.gz IUTZCPVMKCSOJE-UHFFFAOYSA-N 0 0 421.500 3.354 40 5 HGBBRN CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(F)cc1 ZINC000113889653 569393304 /nfs/dbraw/zinc/39/33/04/569393304.db2.gz MOWSNQITNOXQCU-UHFFFAOYSA-N 0 0 416.814 3.146 40 5 HGBBRN CCOC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000113885864 569393310 /nfs/dbraw/zinc/39/33/10/569393310.db2.gz ZPPRQYQBYIKBFT-UHFFFAOYSA-N 0 0 416.814 3.146 40 5 HGBBRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225412652 569394833 /nfs/dbraw/zinc/39/48/33/569394833.db2.gz ROQDYIHCXBKPMX-AWEZNQCLSA-N 0 0 419.478 3.130 40 5 HGBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)nc21 ZINC000010010590 569394944 /nfs/dbraw/zinc/39/49/44/569394944.db2.gz WFPOTJDAUIIWTN-UHFFFAOYSA-N 0 0 404.360 3.382 40 5 HGBBRN O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000011851807 569399074 /nfs/dbraw/zinc/39/90/74/569399074.db2.gz RICCMSIVCISBAT-GOEBONIOSA-N 0 0 405.410 3.276 40 5 HGBBRN Cc1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cccc1[N+](=O)[O-] ZINC000007956680 569408293 /nfs/dbraw/zinc/40/82/93/569408293.db2.gz ZFHMAFQSSSGICF-ZDUSSCGKSA-N 0 0 409.489 3.004 40 5 HGBBRN CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000039985461 571135893 /nfs/dbraw/zinc/13/58/93/571135893.db2.gz QQVYRMZHIOATSG-UHFFFAOYSA-N 0 0 411.867 3.206 40 5 HGBBRN Cc1c(Nc2cc(-c3ccccn3)nc(N[C@H](CO)C(C)C)n2)cccc1[N+](=O)[O-] ZINC000329071344 571305525 /nfs/dbraw/zinc/30/55/25/571305525.db2.gz ZOXVEYGKMXRREM-GOSISDBHSA-N 0 0 408.462 3.928 40 5 HGBBRN Cc1c(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000019867580 558299078 /nfs/dbraw/zinc/29/90/78/558299078.db2.gz PINMFICGSWWVHW-UHFFFAOYSA-N 0 0 417.487 3.084 40 5 HGBBRN CC(C)(C)OC(=O)N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(=O)OCc1ccccc1 ZINC000083259271 558840525 /nfs/dbraw/zinc/84/05/25/558840525.db2.gz WKLYRSXBAOLUPM-ZWKOTPCHSA-N 0 0 416.430 3.265 40 5 HGBBRN O=C(c1cccc([N+](=O)[O-])c1)N1NC(C(F)(F)F)=C[C@]1(O)c1ccc([N+](=O)[O-])cc1 ZINC000013590483 558845831 /nfs/dbraw/zinc/84/58/31/558845831.db2.gz LJRAENNWACDRLS-INIZCTEOSA-N 0 0 424.291 3.113 40 5 HGBBRN C[C@@H]1CCCN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)C1 ZINC000013669762 558853029 /nfs/dbraw/zinc/85/30/29/558853029.db2.gz SLXIPQFSAODOFQ-MRXNPFEDSA-N 0 0 417.487 3.049 40 5 HGBBRN Cc1ccc([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c(C)c1 ZINC000220036184 558945895 /nfs/dbraw/zinc/94/58/95/558945895.db2.gz YGVPHSUKOXZIAW-MRXNPFEDSA-N 0 0 419.503 3.163 40 5 HGBBRN Cc1ccc([C@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1 ZINC000022375267 558988385 /nfs/dbraw/zinc/98/83/85/558988385.db2.gz AHQCVBPIGWSOOT-INIZCTEOSA-N 0 0 419.503 3.163 40 5 HGBBRN CCc1ccc(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 ZINC000220276633 559023728 /nfs/dbraw/zinc/02/37/28/559023728.db2.gz NWZWQTQBNOBPRV-AWEZNQCLSA-N 0 0 405.476 3.259 40 5 HGBBRN COc1ccc(C)cc1NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000220385236 559068459 /nfs/dbraw/zinc/06/84/59/559068459.db2.gz HECPBOMFLOMNFZ-AWEZNQCLSA-N 0 0 421.475 3.013 40 5 HGBBRN Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000014404404 559165590 /nfs/dbraw/zinc/16/55/90/559165590.db2.gz YYKSOPWXXXCXAY-UHFFFAOYSA-N 0 0 424.373 3.348 40 5 HGBBRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220569215 559173586 /nfs/dbraw/zinc/17/35/86/559173586.db2.gz JEAPOMNLGJMTBN-GOSISDBHSA-N 0 0 405.476 3.395 40 5 HGBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccccc1F)S(C)(=O)=O ZINC000220596092 559173874 /nfs/dbraw/zinc/17/38/74/559173874.db2.gz MNLXAVNMQAMHAX-MRXNPFEDSA-N 0 0 409.439 3.226 40 5 HGBBRN CCOC(=O)c1cc(OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(-c2ccccc2)n1 ZINC000408529575 559214932 /nfs/dbraw/zinc/21/49/32/559214932.db2.gz MLPKTQFDNFQYOW-UHFFFAOYSA-N 0 0 411.370 3.185 40 5 HGBBRN Cc1ccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@](O)(C(F)(F)F)C2)cc1 ZINC000408564224 559218384 /nfs/dbraw/zinc/21/83/84/559218384.db2.gz WJBOYEDXDJHIFE-GOSISDBHSA-N 0 0 423.347 3.170 40 5 HGBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000408575283 559219089 /nfs/dbraw/zinc/21/90/89/559219089.db2.gz UAXQRBHQNWTSJX-UHFFFAOYSA-N 0 0 417.849 3.387 40 5 HGBBRN Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000408663809 559223630 /nfs/dbraw/zinc/22/36/30/559223630.db2.gz OELIFKDCDZIGAE-UHFFFAOYSA-N 0 0 419.821 3.457 40 5 HGBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 ZINC000408685204 559224620 /nfs/dbraw/zinc/22/46/20/559224620.db2.gz OYYQYSNQLODZIR-YSGRDPCXSA-N 0 0 419.437 3.349 40 5 HGBBRN O=C(CN1C(=O)SC(=Cc2ccc([N+](=O)[O-])cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409343834 559247962 /nfs/dbraw/zinc/24/79/62/559247962.db2.gz IOQTXMQIOTTXFQ-CXUHLZMHSA-N 0 0 413.367 3.422 40 5 HGBBRN O=C(CN1C(=O)SC(=Cc2ccc3c(c2)OCO3)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409360421 559248253 /nfs/dbraw/zinc/24/82/53/559248253.db2.gz PKUQQGPROIENAL-CAOOACKPSA-N 0 0 412.379 3.243 40 5 HGBBRN Cc1sc2nc(C)nc(N3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)c2c1C ZINC000001357323 560577697 /nfs/dbraw/zinc/57/76/97/560577697.db2.gz BFTHRXDBTVOOCK-UHFFFAOYSA-N 0 0 411.487 3.487 40 5 HGBBRN Cc1cnc([N+](=O)[O-])n1CCOC(=S)NC(=O)c1ccc(Cl)cc1Cl ZINC000005612859 560630572 /nfs/dbraw/zinc/63/05/72/560630572.db2.gz IGLVDRGTDOAVOE-UHFFFAOYSA-N 0 0 403.247 3.138 40 5 HGBBRN CCOc1ccc(NC2=N[C@@H](c3cccc([N+](=O)[O-])c3)n3c(=O)cc(C)nc3N2)cc1 ZINC000101981807 560806225 /nfs/dbraw/zinc/80/62/25/560806225.db2.gz LLCMTFDYVCIJCC-LJQANCHMSA-N 0 0 420.429 3.299 40 5 HGBBRN O=c1[nH]nc(-c2ccc(Cl)cc2)c2c1Nc1nnnn1[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000111999919 568440732 /nfs/dbraw/zinc/44/07/32/568440732.db2.gz QRIMKXQWDKUNGL-MRXNPFEDSA-N 0 0 422.792 3.092 40 5 HGBBRN Cc1c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000219751209 568498049 /nfs/dbraw/zinc/49/80/49/568498049.db2.gz LBJBWLAKSVEJDV-KRWDZBQOSA-N 0 0 423.878 3.348 40 5 HGBBRN Cc1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000219751278 568498057 /nfs/dbraw/zinc/49/80/57/568498057.db2.gz LBJBWLAKSVEJDV-QGZVFWFLSA-N 0 0 423.878 3.348 40 5 HGBBRN Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1N1CCCC1=O ZINC000020104867 568588000 /nfs/dbraw/zinc/58/80/00/568588000.db2.gz FSFYULKRCSBFAC-UHFFFAOYSA-N 0 0 409.851 3.484 40 5 HGBBRN CCOC(=O)C1=C(C)N[C@@H](c2cccc([N+](=O)[O-])c2)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000095115831 568596147 /nfs/dbraw/zinc/59/61/47/568596147.db2.gz LYSZPSRFMMSDIP-RTBURBONSA-N 0 0 412.402 3.273 40 5 HGBBRN O=C(NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000020410906 568604940 /nfs/dbraw/zinc/60/49/40/568604940.db2.gz ZWELYJKFNFYDKQ-UHFFFAOYSA-N 0 0 420.878 3.212 40 5 HGBBRN Cc1c(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000020488202 568613728 /nfs/dbraw/zinc/61/37/28/568613728.db2.gz KZYMIORQTHNJPB-UHFFFAOYSA-N 0 0 417.487 3.471 40 5 HGBBRN CC[C@@H](C(=O)Nc1cc(C)cc(C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222513638 568761301 /nfs/dbraw/zinc/76/13/01/568761301.db2.gz HXOIIKQXQWXQCJ-SFHVURJKSA-N 0 0 405.476 3.395 40 5 HGBBRN CC[C@@H](C(=O)Nc1ccc(C)c(C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222513789 568761305 /nfs/dbraw/zinc/76/13/05/568761305.db2.gz DOYPVDFWBSAOAP-SFHVURJKSA-N 0 0 405.476 3.395 40 5 HGBBRN CC[C@H](C(=O)Nc1cc(C)cc(C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222513704 568761327 /nfs/dbraw/zinc/76/13/27/568761327.db2.gz HXOIIKQXQWXQCJ-GOSISDBHSA-N 0 0 405.476 3.395 40 5 HGBBRN CC[C@H](C(=O)N[C@H](C)c1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222534954 568762753 /nfs/dbraw/zinc/76/27/53/568762753.db2.gz RLOIHLNSPIPDDE-CRAIPNDOSA-N 0 0 419.503 3.325 40 5 HGBBRN CC[C@@H](C(=O)N[C@@H](C)c1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222530629 568762763 /nfs/dbraw/zinc/76/27/63/568762763.db2.gz RLOIHLNSPIPDDE-YJBOKZPZSA-N 0 0 419.503 3.325 40 5 HGBBRN CCCOc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000022392896 568767121 /nfs/dbraw/zinc/76/71/21/568767121.db2.gz LQNPKZLSYKSEDE-UHFFFAOYSA-N 0 0 421.475 3.097 40 5 HGBBRN CS(=O)(=O)N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000222678287 568767713 /nfs/dbraw/zinc/76/77/13/568767713.db2.gz CFBJMQAMYLWGQT-UHFFFAOYSA-N 0 0 413.402 3.058 40 5 HGBBRN CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000003187906 568860458 /nfs/dbraw/zinc/86/04/58/568860458.db2.gz IWPCLJIPNDKHFL-GOSISDBHSA-N 0 0 420.425 3.347 40 5 HGBBRN O=C(NCc1nc(-c2cccc(Br)c2)no1)c1cccc([N+](=O)[O-])c1 ZINC000217867860 568916707 /nfs/dbraw/zinc/91/67/07/568916707.db2.gz JFJXNJRDGZAMMV-UHFFFAOYSA-N 0 0 403.192 3.337 40 5 HGBBRN COc1ccc(OCCNC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000059417128 568953097 /nfs/dbraw/zinc/95/30/97/568953097.db2.gz BQLRWKAYKIJCQD-UHFFFAOYSA-N 0 0 414.336 3.196 40 5 HGBBRN Cc1cc(Cl)ccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000008336296 568993117 /nfs/dbraw/zinc/99/31/17/568993117.db2.gz MWFFYULDDFQODU-UHFFFAOYSA-N 0 0 411.867 3.270 40 5 HGBBRN Cc1cc(C)c([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C ZINC000223419557 569003080 /nfs/dbraw/zinc/00/30/80/569003080.db2.gz BMHLUXDRJQRCFU-MRXNPFEDSA-N 0 0 419.503 3.163 40 5 HGBBRN Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1[N+](=O)[O-] ZINC000223762722 569031534 /nfs/dbraw/zinc/03/15/34/569031534.db2.gz DQEYXBGOUXESSD-UHFFFAOYSA-N 0 0 422.850 3.427 40 5 HGBBRN Cc1ccc(S(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] ZINC000223762047 569031551 /nfs/dbraw/zinc/03/15/51/569031551.db2.gz MUHGJMZPDZFAJW-UHFFFAOYSA-N 0 0 408.823 3.085 40 5 HGBBRN CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000006245485 569034527 /nfs/dbraw/zinc/03/45/27/569034527.db2.gz UXKAAODXVNPOKY-UHFFFAOYSA-N 0 0 412.446 3.278 40 5 HGBBRN O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccccc1F ZINC000016449261 569051430 /nfs/dbraw/zinc/05/14/30/569051430.db2.gz XEDVUHXCQKDKQC-UHFFFAOYSA-N 0 0 422.869 3.224 40 5 HGBBRN CCOc1ccc(C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)cc1[N+](=O)[O-] ZINC000006595995 569068610 /nfs/dbraw/zinc/06/86/10/569068610.db2.gz WQPMKRDYUGKQMM-UHFFFAOYSA-N 0 0 403.504 3.423 40 5 HGBBRN CCOC(=O)[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)OCC)c1ccc([N+](=O)[O-])cc1 ZINC000001871119 569148934 /nfs/dbraw/zinc/14/89/34/569148934.db2.gz COXAROUYLKIQFD-ROUUACIJSA-N 0 0 416.386 3.497 40 5 HGBBRN C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 ZINC000017091452 569273655 /nfs/dbraw/zinc/27/36/55/569273655.db2.gz COTNCYWQSBMOPO-VIFPVBQESA-N 0 0 418.500 3.007 40 5 HGBBRN Cc1ccc(C)c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000017089908 569274267 /nfs/dbraw/zinc/27/42/67/569274267.db2.gz JOYZZVZBDWYDJM-UHFFFAOYSA-N 0 0 414.487 3.175 40 5 HGBBRN COc1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000017090598 569274614 /nfs/dbraw/zinc/27/46/14/569274614.db2.gz ARWPBLIFNSDKOQ-UHFFFAOYSA-N 0 0 416.459 3.036 40 5 HGBBRN COc1cccc(OCc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)c1 ZINC000017227442 569276565 /nfs/dbraw/zinc/27/65/65/569276565.db2.gz RPVUUXQPVXBSFC-UHFFFAOYSA-N 0 0 416.415 3.296 40 5 HGBBRN CCOC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224770377 569288520 /nfs/dbraw/zinc/28/85/20/569288520.db2.gz AGKMIUADDRFMGS-UHFFFAOYSA-N 0 0 422.459 3.060 40 5 HGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000007669794 569299716 /nfs/dbraw/zinc/29/97/16/569299716.db2.gz ZZJDKTYZCVXXEY-MRXNPFEDSA-N 0 0 409.851 3.040 40 5 HGBBRN CCC[C@H](C)NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000006324921 569330930 /nfs/dbraw/zinc/33/09/30/569330930.db2.gz MHPSJQXEBQOMPM-HNNXBMFYSA-N 0 0 405.476 3.095 40 5 HGBBRN Cc1c(Cl)cccc1N1C[C@H](C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000007881461 569338107 /nfs/dbraw/zinc/33/81/07/569338107.db2.gz RLKCUGCBOZANSN-CQSZACIVSA-N 0 0 416.817 3.336 40 5 HGBBRN Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000007881675 569338159 /nfs/dbraw/zinc/33/81/59/569338159.db2.gz PBGIHPULAAXAFD-NVXWUHKLSA-N 0 0 410.426 3.379 40 5 HGBBRN O=C(CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1 ZINC000008417051 569340673 /nfs/dbraw/zinc/34/06/73/569340673.db2.gz WBQVBOCSNPNETC-UHFFFAOYSA-N 0 0 403.366 3.025 40 5 HGBBRN O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O ZINC000008475189 569341262 /nfs/dbraw/zinc/34/12/62/569341262.db2.gz QTRAOQPHDZTQCN-UHFFFAOYSA-N 0 0 401.806 3.345 40 5 HGBBRN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000014629994 569344877 /nfs/dbraw/zinc/34/48/77/569344877.db2.gz AOGKIJHNLYMIPJ-UHFFFAOYSA-N 0 0 401.291 3.253 40 5 HGBBRN COc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2C)c([N+](=O)[O-])c1 ZINC000022010565 569349815 /nfs/dbraw/zinc/34/98/15/569349815.db2.gz KGTDQLRWECFXKJ-UHFFFAOYSA-N 0 0 413.459 3.438 40 5 HGBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2ccccc2)o1 ZINC000012249499 569399841 /nfs/dbraw/zinc/39/98/41/569399841.db2.gz GIQVPXCIJFJANB-UHFFFAOYSA-N 0 0 416.415 3.296 40 5 HGBBRN Cc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000013387811 569413197 /nfs/dbraw/zinc/41/31/97/569413197.db2.gz FEKBOEQCYYDCIZ-INIZCTEOSA-N 0 0 409.445 3.248 40 5 HGBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000039747402 571134008 /nfs/dbraw/zinc/13/40/08/571134008.db2.gz RZFKHQJCBYEKAP-UHFFFAOYSA-N 0 0 421.291 3.398 40 5 HGBBRN Cc1c(Nc2cc(-c3ccncc3)nc(N[C@@H](CO)C(C)C)n2)cccc1[N+](=O)[O-] ZINC000328982821 571305583 /nfs/dbraw/zinc/30/55/83/571305583.db2.gz HCPYWGRHALWPCR-SFHVURJKSA-N 0 0 408.462 3.928 40 5 HGBBRN COc1cc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc(OC)c1OC ZINC000002468580 132255194 /nfs/dbraw/zinc/25/51/94/132255194.db2.gz SHBCXEOFDCFFQV-JLTOFOAXSA-N 0 0 415.402 3.390 40 5 HGBBRN Cc1cc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000005736169 132307904 /nfs/dbraw/zinc/30/79/04/132307904.db2.gz OYEIMWXTCLWSMM-UHFFFAOYSA-N 0 0 410.474 3.460 40 5 HGBBRN O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccc(F)cc1 ZINC000016384040 132463834 /nfs/dbraw/zinc/46/38/34/132463834.db2.gz VNSLROMHMDEXCA-UHFFFAOYSA-N 0 0 422.869 3.224 40 5 HGBBRN CC[C@@H](c1nnnn1CCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000035290766 132801072 /nfs/dbraw/zinc/80/10/72/132801072.db2.gz FUDROOVZSIPEQJ-NRFANRHFSA-N 0 0 421.505 3.097 40 5 HGBBRN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000225923042 524188002 /nfs/dbraw/zinc/18/80/02/524188002.db2.gz YZPNNRMQAUNJIU-MRXNPFEDSA-N 0 0 417.487 3.251 40 5 HGBBRN Cc1cccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 ZINC000220138406 558998990 /nfs/dbraw/zinc/99/89/90/558998990.db2.gz SMPBKHBLESSIAP-GFCCVEGCSA-N 0 0 411.867 3.350 40 5 HGBBRN Cc1c(NS(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)cccc1[N+](=O)[O-] ZINC000408561337 559218544 /nfs/dbraw/zinc/21/85/44/559218544.db2.gz HZCIQVVOLIWOOP-UHFFFAOYSA-N 0 0 404.448 3.332 40 5 HGBBRN O=C(COc1ccc([N+](=O)[O-])cc1)N1NC2=C(CCCCC2)[C@@]1(O)C(F)(F)F ZINC000408562830 559218632 /nfs/dbraw/zinc/21/86/32/559218632.db2.gz DRQDEYGYBIXICN-XJKSGUPXSA-N 0 0 401.341 3.003 40 5 HGBBRN COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)c1 ZINC000408646683 559223173 /nfs/dbraw/zinc/22/31/73/559223173.db2.gz UCIOMGMLVKKTTH-LLVKDONJSA-N 0 0 419.821 3.257 40 5 HGBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]21 ZINC000408687833 559224600 /nfs/dbraw/zinc/22/46/00/559224600.db2.gz VGIPATSDYYHESH-ZTNFWEORSA-N 0 0 419.437 3.349 40 5 HGBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000408688894 559224605 /nfs/dbraw/zinc/22/46/05/559224605.db2.gz XBYDLGZCKVQCBW-HDICACEKSA-N 0 0 423.400 3.243 40 5 HGBBRN CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000408684446 559224615 /nfs/dbraw/zinc/22/46/15/559224615.db2.gz NIEYKXFSLDKLSN-PMACEKPBSA-N 0 0 419.437 3.494 40 5 HGBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 ZINC000408685202 559224631 /nfs/dbraw/zinc/22/46/31/559224631.db2.gz OYYQYSNQLODZIR-XPGWFJOJSA-N 0 0 419.437 3.349 40 5 HGBBRN COC(=O)c1c(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2)sc1NC(=O)C1CC1 ZINC000005007051 559226515 /nfs/dbraw/zinc/22/65/15/559226515.db2.gz IJEWGWHSTOZATF-UHFFFAOYSA-N 0 0 403.416 3.352 40 5 HGBBRN Cc1nc2cc([N+](=O)[O-])ccc2c(=O)n1-c1ccc(Br)cc1[N+](=O)[O-] ZINC000005510110 560601071 /nfs/dbraw/zinc/60/10/71/560601071.db2.gz DFGQLRKMANAWHX-UHFFFAOYSA-N 0 0 405.164 3.273 40 5 HGBBRN Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409139565 560683178 /nfs/dbraw/zinc/68/31/78/560683178.db2.gz BBRTWTZQHMQWEY-UHFFFAOYSA-N 0 0 414.403 3.029 40 5 HGBBRN Cc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1Cl ZINC000409264290 560703862 /nfs/dbraw/zinc/70/38/62/560703862.db2.gz OLHQXMXVCZPMMS-UHFFFAOYSA-N 0 0 411.867 3.270 40 5 HGBBRN Cc1ccc(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1C ZINC000409409655 560722862 /nfs/dbraw/zinc/72/28/62/560722862.db2.gz PSVUASSRBVDMTD-HNNXBMFYSA-N 0 0 405.476 3.313 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1)S(C)(=O)=O ZINC000260588491 568485613 /nfs/dbraw/zinc/48/56/13/568485613.db2.gz KCGSHTXKDHTCCN-KGLIPLIRSA-N 0 0 423.466 3.074 40 5 HGBBRN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000223843455 568560619 /nfs/dbraw/zinc/56/06/19/568560619.db2.gz CWEQZTHNPBNDNW-UHFFFAOYSA-N 0 0 405.215 3.489 40 5 HGBBRN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)Nc3nc4ccccc4s3)cc2)n1 ZINC000020428332 568606681 /nfs/dbraw/zinc/60/66/81/568606681.db2.gz CAKKKKWASUDGBM-UHFFFAOYSA-N 0 0 422.426 3.443 40 5 HGBBRN C[C@@H](NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(F)cc1 ZINC000222367306 568751236 /nfs/dbraw/zinc/75/12/36/568751236.db2.gz DPXYIFZXZFRJIK-CQSZACIVSA-N 0 0 423.466 3.158 40 5 HGBBRN CCn1c(=O)sc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc21 ZINC000225695326 568779054 /nfs/dbraw/zinc/77/90/54/568779054.db2.gz ZFVBTVACUORONI-UHFFFAOYSA-N 0 0 413.864 3.445 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000225823312 568782402 /nfs/dbraw/zinc/78/24/02/568782402.db2.gz BDBZEVYGGIMAON-UHFFFAOYSA-N 0 0 401.444 3.003 40 5 HGBBRN CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000005846241 568825527 /nfs/dbraw/zinc/82/55/27/568825527.db2.gz YEHYNBIZHYRJDP-UHFFFAOYSA-N 0 0 413.415 3.334 40 5 HGBBRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222922103 568834797 /nfs/dbraw/zinc/83/47/97/568834797.db2.gz NXLMLGAAFQFPEF-LJQANCHMSA-N 0 0 415.515 3.381 40 5 HGBBRN O=C(Cc1cccs1)N[C@H]1CCCC[C@@]12CN(Cc1ccc([N+](=O)[O-])o1)CCO2 ZINC000306129872 568900534 /nfs/dbraw/zinc/90/05/34/568900534.db2.gz IPFWVSZVAQDAFU-FXAWDEMLSA-N 0 0 419.503 3.122 40 5 HGBBRN COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)c(OC)c1 ZINC000217892067 568918499 /nfs/dbraw/zinc/91/84/99/568918499.db2.gz ARKSGQVKTQXZHN-JXMROGBWSA-N 0 0 424.413 3.334 40 5 HGBBRN O=[N+]([O-])c1ccc2c(c1)[C@H](N1CCN(CCO)CC1)Cc1ccc(F)cc1S2 ZINC000031793475 568931227 /nfs/dbraw/zinc/93/12/27/568931227.db2.gz SYZQQZSBHCAWAX-GOSISDBHSA-N 0 0 403.479 3.092 40 5 HGBBRN CNC(=O)c1c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000016189294 569029726 /nfs/dbraw/zinc/02/97/26/569029726.db2.gz UDGPNWPBTDAZMZ-UHFFFAOYSA-N 0 0 418.500 3.022 40 5 HGBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)o1 ZINC000223592227 569030650 /nfs/dbraw/zinc/03/06/50/569030650.db2.gz SXMUFNMQYGUXPA-OALUTQOASA-N 0 0 410.455 3.215 40 5 HGBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)cc1 ZINC000223628447 569030665 /nfs/dbraw/zinc/03/06/65/569030665.db2.gz DGBKIUYOSLNIID-UXHICEINSA-N 0 0 423.498 3.135 40 5 HGBBRN CN(Cc1nc(-c2ccccc2Cl)no1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000223761397 569031562 /nfs/dbraw/zinc/03/15/62/569031562.db2.gz UKBFSXYRXCAETJ-UHFFFAOYSA-N 0 0 408.823 3.119 40 5 HGBBRN O=C(Nc1cc([N+](=O)[O-])ccc1N(CCO)C(=O)c1ccccc1)c1ccccc1 ZINC000016476788 569052658 /nfs/dbraw/zinc/05/26/58/569052658.db2.gz PENMXTURUDICTE-UHFFFAOYSA-N 0 0 405.410 3.486 40 5 HGBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224281811 569056803 /nfs/dbraw/zinc/05/68/03/569056803.db2.gz BCQZVHCYTHSZIY-MRXNPFEDSA-N 0 0 415.465 3.466 40 5 HGBBRN CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000139081378 569229571 /nfs/dbraw/zinc/22/95/71/569229571.db2.gz JUEKEPRSEXZQCM-VQTJNVASSA-N 0 0 419.437 3.494 40 5 HGBBRN COc1ccccc1OCc1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1C ZINC000006452574 569332531 /nfs/dbraw/zinc/33/25/31/569332531.db2.gz RFHNYUKQKXHDQU-UHFFFAOYSA-N 0 0 414.443 3.286 40 5 HGBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000007881576 569338171 /nfs/dbraw/zinc/33/81/71/569338171.db2.gz SQBGQSFDQJIACB-ZDUSSCGKSA-N 0 0 402.790 3.027 40 5 HGBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)CCCC1=O ZINC000008475262 569341240 /nfs/dbraw/zinc/34/12/40/569341240.db2.gz VBRAREVNIAZXMT-UHFFFAOYSA-N 0 0 401.806 3.345 40 5 HGBBRN COC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113883769 569393392 /nfs/dbraw/zinc/39/33/92/569393392.db2.gz FPJZJSHPBSOMGS-UHFFFAOYSA-N 0 0 419.242 3.270 40 5 HGBBRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(-c2ccncc2)n1 ZINC000329066020 571306024 /nfs/dbraw/zinc/30/60/24/571306024.db2.gz XWIMANNYRQMCIF-QGZVFWFLSA-N 0 0 412.425 3.758 40 5 HGBBRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(-c2ccncc2)n1 ZINC000329066018 571306310 /nfs/dbraw/zinc/30/63/10/571306310.db2.gz XWIMANNYRQMCIF-KRWDZBQOSA-N 0 0 412.425 3.758 40 5 HGBBRN COc1ccc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@](O)(C(F)(F)F)C2)cc1 ZINC000032100972 523877239 /nfs/dbraw/zinc/87/72/39/523877239.db2.gz LOLATABBDBZXET-QGZVFWFLSA-N 0 0 409.320 3.105 40 5 HGBBRN O=c1c2cc3c(ccn(C4CC4)c3=O)nc2ccn1-c1nc(C2CCCCC2)n[nH]1 ZINC000040399025 527463417 /nfs/dbraw/zinc/46/34/17/527463417.db2.gz LNBJMNRPDRKBRF-UHFFFAOYSA-N 0 0 402.458 3.201 40 5 HGBBRN Cn1ccc([C@H]2CCCCCN2C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)n1 ZINC000013566809 558843603 /nfs/dbraw/zinc/84/36/03/558843603.db2.gz OLSIFFSQRHXIIW-HXUWFJFHSA-N 0 0 408.462 3.331 40 5 HGBBRN CCSc1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000220036958 558945840 /nfs/dbraw/zinc/94/58/40/558945840.db2.gz OKWNYSXYCPVMBA-UHFFFAOYSA-N 0 0 423.516 3.420 40 5 HGBBRN Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000220395672 559068963 /nfs/dbraw/zinc/06/89/63/559068963.db2.gz SQCMYQLCWQDXMB-JKSUJKDBSA-N 0 0 419.503 3.244 40 5 HGBBRN Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000220415497 559076830 /nfs/dbraw/zinc/07/68/30/559076830.db2.gz OQBGTOMZQNNREU-CVEARBPZSA-N 0 0 419.503 3.244 40 5 HGBBRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C ZINC000220423490 559078665 /nfs/dbraw/zinc/07/86/65/559078665.db2.gz LDNVBOIYZCAQQL-CVEARBPZSA-N 0 0 419.503 3.244 40 5 HGBBRN CCOC(=O)c1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000408574435 559218950 /nfs/dbraw/zinc/21/89/50/559218950.db2.gz QPKXLGIMOHJJIA-DHZHZOJOSA-N 0 0 409.442 3.134 40 5 HGBBRN Cc1ccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000408564225 559219188 /nfs/dbraw/zinc/21/91/88/559219188.db2.gz WJBOYEDXDJHIFE-SFHVURJKSA-N 0 0 423.347 3.170 40 5 HGBBRN Cc1c(NS(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000408584717 559220122 /nfs/dbraw/zinc/22/01/22/559220122.db2.gz UCSYGLDUHIUGHV-UHFFFAOYSA-N 0 0 406.464 3.482 40 5 HGBBRN CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O ZINC000408640172 559222986 /nfs/dbraw/zinc/22/29/86/559222986.db2.gz AOGRHGZNBAITTD-GOSISDBHSA-N 0 0 423.425 3.153 40 5 HGBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]21 ZINC000408687829 559224505 /nfs/dbraw/zinc/22/45/05/559224505.db2.gz VGIPATSDYYHESH-BPAFIMBUSA-N 0 0 419.437 3.349 40 5 HGBBRN CCOC(=O)N[C@H](CC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000409000794 559237345 /nfs/dbraw/zinc/23/73/45/559237345.db2.gz FYPQEGYBCACOQM-QGZVFWFLSA-N 0 0 400.387 3.198 40 5 HGBBRN COC(=O)C(=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)C(=O)OC ZINC000409084508 560674186 /nfs/dbraw/zinc/67/41/86/560674186.db2.gz XJJDYZROFBJGLV-UHFFFAOYSA-N 0 0 402.315 3.025 40 5 HGBBRN CCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409132428 560680599 /nfs/dbraw/zinc/68/05/99/560680599.db2.gz XXPSTPVALBEOBA-UHFFFAOYSA-N 0 0 411.487 3.324 40 5 HGBBRN O=[N+]([O-])c1ccccc1CSc1nnc(CN2CCOCC2)n1-c1ccccc1 ZINC000409210070 560694506 /nfs/dbraw/zinc/69/45/06/560694506.db2.gz HXFHZDOCIJBIDU-UHFFFAOYSA-N 0 0 411.487 3.300 40 5 HGBBRN O=[N+]([O-])c1cccc(CSc2nnc(CN3CCOCC3)n2-c2ccccc2)c1 ZINC000409217603 560697588 /nfs/dbraw/zinc/69/75/88/560697588.db2.gz DQBIPVPVJYMFJK-UHFFFAOYSA-N 0 0 411.487 3.300 40 5 HGBBRN Cc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409217484 560697593 /nfs/dbraw/zinc/69/75/93/560697593.db2.gz WAHMVTIKRIABHT-YVLHZVERSA-N 0 0 411.439 3.256 40 5 HGBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccncc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000102736314 560822406 /nfs/dbraw/zinc/82/24/06/560822406.db2.gz AFCTZKYPTZBVGN-ZCNNSNEGSA-N 0 0 416.393 3.041 40 5 HGBBRN O=c1[nH]nc(-c2ccc(Cl)cc2)c2c1Nc1nnnn1[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000111999920 568440764 /nfs/dbraw/zinc/44/07/64/568440764.db2.gz QRIMKXQWDKUNGL-INIZCTEOSA-N 0 0 422.792 3.092 40 5 HGBBRN Cc1cc(C)c(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c(C)c1 ZINC000220029401 568501351 /nfs/dbraw/zinc/50/13/51/568501351.db2.gz QLYQLLXKLNMMNR-UHFFFAOYSA-N 0 0 405.476 3.233 40 5 HGBBRN CSc1cccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000220067124 568501932 /nfs/dbraw/zinc/50/19/32/568501932.db2.gz IIPRHCORESBOGR-UHFFFAOYSA-N 0 0 409.489 3.030 40 5 HGBBRN O=C(NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000020410910 568604724 /nfs/dbraw/zinc/60/47/24/568604724.db2.gz ASDKDTQDORDNFV-UHFFFAOYSA-N 0 0 420.878 3.212 40 5 HGBBRN O=C(NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000020410901 568604852 /nfs/dbraw/zinc/60/48/52/568604852.db2.gz FMDHFQALXJAYOV-UHFFFAOYSA-N 0 0 420.878 3.212 40 5 HGBBRN COc1cc2c(cc1OC)-c1c(OC)c(OC)c([N+](=O)[O-])c3c1[C@H](C2)N(C)CC3 ZINC000020518182 568625541 /nfs/dbraw/zinc/62/55/41/568625541.db2.gz GHNKQXUBBRYYOC-AWEZNQCLSA-N 0 0 400.431 3.381 40 5 HGBBRN O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1c(F)c(F)c(F)c(F)c1F ZINC000020611725 568636302 /nfs/dbraw/zinc/63/63/02/568636302.db2.gz IHMXEHZCUIRPQS-UHFFFAOYSA-N 0 0 417.290 3.379 40 5 HGBBRN O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000020611557 568636443 /nfs/dbraw/zinc/63/64/43/568636443.db2.gz DWHHXRVMTWFUPL-UHFFFAOYSA-N 0 0 406.236 3.446 40 5 HGBBRN COc1ccc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000222372736 568752589 /nfs/dbraw/zinc/75/25/89/568752589.db2.gz RYJMBBZLRKSLTL-UHFFFAOYSA-N 0 0 421.475 3.097 40 5 HGBBRN CC[C@H](C(=O)Nc1ccccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222514283 568761278 /nfs/dbraw/zinc/76/12/78/568761278.db2.gz OLQOYPLKNVJQCS-MRXNPFEDSA-N 0 0 411.867 3.432 40 5 HGBBRN CC[C@@H](C(=O)Nc1cc(C)ccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222513343 568761303 /nfs/dbraw/zinc/76/13/03/568761303.db2.gz BXGZXPNRLPNWNG-SFHVURJKSA-N 0 0 405.476 3.395 40 5 HGBBRN CC[C@H](C(=O)Nc1ccc(F)c(F)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222524481 568761769 /nfs/dbraw/zinc/76/17/69/568761769.db2.gz YNJJMPYWNQFUBZ-MRXNPFEDSA-N 0 0 413.402 3.056 40 5 HGBBRN CC[C@H](C(=O)NCc1ccc(C)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222534560 568762782 /nfs/dbraw/zinc/76/27/82/568762782.db2.gz PHAJJKXTZDBHFJ-GOSISDBHSA-N 0 0 419.503 3.073 40 5 HGBBRN CC[C@H](C(=O)N[C@@H](C)c1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222530689 568762820 /nfs/dbraw/zinc/76/28/20/568762820.db2.gz RLOIHLNSPIPDDE-MAUKXSAKSA-N 0 0 419.503 3.325 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000222556073 568763383 /nfs/dbraw/zinc/76/33/83/568763383.db2.gz YDIGDRFZHTUWTQ-UHFFFAOYSA-N 0 0 405.476 3.397 40 5 HGBBRN Cc1c(NC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000022393059 568767119 /nfs/dbraw/zinc/76/71/19/568767119.db2.gz HMECLZJBVUFCBI-UHFFFAOYSA-N 0 0 421.475 3.095 40 5 HGBBRN COC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C1=O ZINC000002813029 568812200 /nfs/dbraw/zinc/81/22/00/568812200.db2.gz FTAGTWKZPOPWKC-NVNXTCNLSA-N 0 0 418.383 3.073 40 5 HGBBRN CCc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 ZINC000218307852 568837623 /nfs/dbraw/zinc/83/76/23/568837623.db2.gz WISBIQNPXPWURA-UHFFFAOYSA-N 0 0 411.867 3.215 40 5 HGBBRN Cc1c(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000218470939 568877595 /nfs/dbraw/zinc/87/75/95/568877595.db2.gz RYWZISPENWGBRE-GFCCVEGCSA-N 0 0 411.867 3.350 40 5 HGBBRN O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000032114807 568945442 /nfs/dbraw/zinc/94/54/42/568945442.db2.gz OKNGFZWRFJTLFZ-UHFFFAOYSA-N 0 0 420.878 3.212 40 5 HGBBRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223505494 569017527 /nfs/dbraw/zinc/01/75/27/569017527.db2.gz UOWJQXJXIKAXAA-INIZCTEOSA-N 0 0 415.515 3.381 40 5 HGBBRN CCOc1ccc(C(=O)Nc2ccc(NC(=S)NC(=O)CC)cc2)cc1[N+](=O)[O-] ZINC000006386309 569045645 /nfs/dbraw/zinc/04/56/45/569045645.db2.gz IVSODILCEAFBMX-UHFFFAOYSA-N 0 0 416.459 3.469 40 5 HGBBRN O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)Nc1ccccc1N1CCCC1 ZINC000006615701 569074246 /nfs/dbraw/zinc/07/42/46/569074246.db2.gz AGXLUAYURSQWIP-UHFFFAOYSA-N 0 0 400.460 3.087 40 5 HGBBRN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3O)o2)c([N+](=O)[O-])c1 ZINC000006924662 569182523 /nfs/dbraw/zinc/18/25/23/569182523.db2.gz VOORIQLDSAMXHO-UHFFFAOYSA-N 0 0 402.388 3.090 40 5 HGBBRN COc1ccc(NC(=S)NC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000017088392 569273617 /nfs/dbraw/zinc/27/36/17/569273617.db2.gz BSWVKSXYVHIXEL-UHFFFAOYSA-N 0 0 410.249 3.493 40 5 HGBBRN O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1Br ZINC000017092081 569274257 /nfs/dbraw/zinc/27/42/57/569274257.db2.gz LVEHTFCQRKTKGS-UHFFFAOYSA-N 0 0 420.263 3.442 40 5 HGBBRN CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224762468 569288516 /nfs/dbraw/zinc/28/85/16/569288516.db2.gz WSNWBXYJCCXSCY-UHFFFAOYSA-N 0 0 400.840 3.481 40 5 HGBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224849543 569292369 /nfs/dbraw/zinc/29/23/69/569292369.db2.gz YYRHRLWKKUTBMR-HNNXBMFYSA-N 0 0 401.438 3.220 40 5 HGBBRN COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224938846 569297129 /nfs/dbraw/zinc/29/71/29/569297129.db2.gz LHUUYSXBPNSLCM-UHFFFAOYSA-N 0 0 419.242 3.270 40 5 HGBBRN CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000224964024 569312231 /nfs/dbraw/zinc/31/22/31/569312231.db2.gz KOPUXRHUMYJETA-UHFFFAOYSA-N 0 0 400.840 3.481 40 5 HGBBRN O=C(CCC(=O)OCC(=O)Nc1cccc(Cl)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000008416498 569340630 /nfs/dbraw/zinc/34/06/30/569340630.db2.gz FVEQRYXIEFWTLO-UHFFFAOYSA-N 0 0 405.794 3.149 40 5 HGBBRN O=C(CNC(=O)c1ccccc1)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000010041863 569342756 /nfs/dbraw/zinc/34/27/56/569342756.db2.gz CUQBZORBBMBPGC-QFIPXVFZSA-N 0 0 418.405 3.492 40 5 HGBBRN Cc1cc(OCC(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1Cl ZINC000008902576 569390831 /nfs/dbraw/zinc/39/08/31/569390831.db2.gz UPQKYULRVNAKDY-UHFFFAOYSA-N 0 0 405.838 3.411 40 5 HGBBRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2ccncc2)n1 ZINC000329051958 571306027 /nfs/dbraw/zinc/30/60/27/571306027.db2.gz VAPAJIUDBUZWGL-QGZVFWFLSA-N 0 0 412.425 3.758 40 5 HGBBRN O=C(Cc1ccccc1)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000007093859 132322483 /nfs/dbraw/zinc/32/24/83/132322483.db2.gz ANMAJFOWIMAHLQ-UHFFFAOYSA-N 0 0 418.906 3.014 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000019867577 526079779 /nfs/dbraw/zinc/07/97/79/526079779.db2.gz COVCILVDXAHTOL-UHFFFAOYSA-N 0 0 417.487 3.084 40 5 HGBBRN Cc1cc(N)n(-c2nn3c(nc4sc5c(c4c3=O)CCCC5)c3ccccc32)n1 ZINC000001465707 557268844 /nfs/dbraw/zinc/26/88/44/557268844.db2.gz PSXAGWVOXJGVRR-UHFFFAOYSA-N 0 0 402.483 3.413 40 5 HGBBRN COc1cc(OCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)ccc1[N+](=O)[O-] ZINC000219829390 558300429 /nfs/dbraw/zinc/30/04/29/558300429.db2.gz BJCDQOFIDDJNOC-UHFFFAOYSA-N 0 0 418.793 3.002 40 5 HGBBRN O=C(Oc1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000004554150 558678638 /nfs/dbraw/zinc/67/86/38/558678638.db2.gz JTDISTKAIXMLIC-QXUMQBBKSA-N 0 0 404.378 3.126 40 5 HGBBRN Cc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1Cl ZINC000220027457 558825477 /nfs/dbraw/zinc/82/54/77/558825477.db2.gz SRJMTLBZOWEFMK-UHFFFAOYSA-N 0 0 411.867 3.270 40 5 HGBBRN Cn1cc([C@H]2CCCCCN2C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)cn1 ZINC000013566803 558843565 /nfs/dbraw/zinc/84/35/65/558843565.db2.gz AGSSSQYFFLXNTO-HXUWFJFHSA-N 0 0 408.462 3.331 40 5 HGBBRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713693 558857888 /nfs/dbraw/zinc/85/78/88/558857888.db2.gz PZWDCWMDKIXHEG-QGZVFWFLSA-N 0 0 405.476 3.395 40 5 HGBBRN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000220395609 559068985 /nfs/dbraw/zinc/06/89/85/559068985.db2.gz SQCMYQLCWQDXMB-HZPDHXFCSA-N 0 0 419.503 3.244 40 5 HGBBRN CC(C)Oc1ccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220413020 559076764 /nfs/dbraw/zinc/07/67/64/559076764.db2.gz NXUCALKCBWFGFH-CQSZACIVSA-N 0 0 421.475 3.175 40 5 HGBBRN CCc1cccc(C)c1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220410892 559076941 /nfs/dbraw/zinc/07/69/41/559076941.db2.gz OQZHNBMBOFMCHT-AWEZNQCLSA-N 0 0 405.476 3.259 40 5 HGBBRN COc1ccccc1C(=O)Nc1cc(N2CCN(C)CC2)c([N+](=O)[O-])cc1Cl ZINC000072229539 559169964 /nfs/dbraw/zinc/16/99/64/559169964.db2.gz XJUZRGXLAOTKTI-UHFFFAOYSA-N 0 0 404.854 3.261 40 5 HGBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220508041 559172622 /nfs/dbraw/zinc/17/26/22/559172622.db2.gz CXECUIMJQNDUGW-KRWDZBQOSA-N 0 0 421.475 3.095 40 5 HGBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1)N1CCCCC1 ZINC000408561990 559218425 /nfs/dbraw/zinc/21/84/25/559218425.db2.gz MMBOCHQUAYSHQL-UHFFFAOYSA-N 0 0 404.448 3.413 40 5 HGBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000408576887 559219310 /nfs/dbraw/zinc/21/93/10/559219310.db2.gz YOBIGDOFIYAHGM-UHFFFAOYSA-N 0 0 417.849 3.387 40 5 HGBBRN CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000408583750 559220177 /nfs/dbraw/zinc/22/01/77/559220177.db2.gz JQSSTRUUCQVZNO-UHFFFAOYSA-N 0 0 405.476 3.163 40 5 HGBBRN CC(=O)N1CCN(c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000408629037 559221736 /nfs/dbraw/zinc/22/17/36/559221736.db2.gz IYKQLQFLIUVMLL-UHFFFAOYSA-N 0 0 402.838 3.169 40 5 HGBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCC1 ZINC000408696734 559224482 /nfs/dbraw/zinc/22/44/82/559224482.db2.gz DXERHJKHMACDRA-UHFFFAOYSA-N 0 0 419.459 3.030 40 5 HGBBRN O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1[N+](=O)[O-] ZINC000409156258 559242369 /nfs/dbraw/zinc/24/23/69/559242369.db2.gz NHXICNFRADTBNO-UHFFFAOYSA-N 0 0 401.360 3.284 40 5 HGBBRN COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1OC ZINC000409243483 559246610 /nfs/dbraw/zinc/24/66/10/559246610.db2.gz WRXMIRCTQYNAKI-NTUHNPAUSA-N 0 0 403.778 3.363 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000409409558 559249474 /nfs/dbraw/zinc/24/94/74/559249474.db2.gz HYSGRCCJSWHRQF-GFCCVEGCSA-N 0 0 411.867 3.350 40 5 HGBBRN CCOc1ccc(Nc2nc(O)c(CC(=O)Nc3ccccc3[N+](=O)[O-])s2)cc1 ZINC000005499892 560597315 /nfs/dbraw/zinc/59/73/15/560597315.db2.gz WMFTVCDMRYARPC-MRXNPFEDSA-N 0 0 414.443 3.432 40 5 HGBBRN C[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000101455709 560795112 /nfs/dbraw/zinc/79/51/12/560795112.db2.gz NVXHZMNTASVJHT-VIFPVBQESA-N 0 0 406.311 3.232 40 5 HGBBRN O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000021124343 568461794 /nfs/dbraw/zinc/46/17/94/568461794.db2.gz TVYWQQUOCIPAGR-UHFFFAOYSA-N 0 0 422.363 3.058 40 5 HGBBRN COc1ccc([C@@H]2N[C@@H](c3ccc(OC)cc3)[C@@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])cc1 ZINC000217351226 568471718 /nfs/dbraw/zinc/47/17/18/568471718.db2.gz PHVJOZFYTCDHBH-LWYYNNOASA-N 0 0 415.446 3.406 40 5 HGBBRN CC[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O)c1ccc(C)cc1 ZINC000220036384 568501402 /nfs/dbraw/zinc/50/14/02/568501402.db2.gz MJUYXRIXPYJTTC-KRWDZBQOSA-N 0 0 419.503 3.245 40 5 HGBBRN Cc1ccccc1Nc1oc2c(c1-c1ccc([N+](=O)[O-])cc1)c(=O)n(C)c(=O)n2C ZINC000095116744 568596057 /nfs/dbraw/zinc/59/60/57/568596057.db2.gz DAFPDMCXHSTJNC-UHFFFAOYSA-N 0 0 406.398 3.457 40 5 HGBBRN O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000020528511 568625701 /nfs/dbraw/zinc/62/57/01/568625701.db2.gz JIXDTMGGVJARKS-UHFFFAOYSA-N 0 0 422.363 3.058 40 5 HGBBRN O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(Br)cc1 ZINC000020611702 568636409 /nfs/dbraw/zinc/63/64/09/568636409.db2.gz FCYDFUZPNTVDAS-UHFFFAOYSA-N 0 0 406.236 3.446 40 5 HGBBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000020634772 568638685 /nfs/dbraw/zinc/63/86/85/568638685.db2.gz MWURFSLMVQZCSL-SFHVURJKSA-N 0 0 423.425 3.424 40 5 HGBBRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225677655 568725636 /nfs/dbraw/zinc/72/56/36/568725636.db2.gz GLDKTGSZDGEPFL-INIZCTEOSA-N 0 0 415.465 3.466 40 5 HGBBRN COC(=O)[C@@H](C)Sc1nnc(COc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000000916862 568750073 /nfs/dbraw/zinc/75/00/73/568750073.db2.gz CHBHTTKSAVZKTG-CYBMUJFWSA-N 0 0 414.443 3.408 40 5 HGBBRN CS(=O)(=O)N(CCCC(=O)NCCC1=CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000222362572 568751080 /nfs/dbraw/zinc/75/10/80/568751080.db2.gz IJAFTMDZMKWYMP-UHFFFAOYSA-N 0 0 409.508 3.148 40 5 HGBBRN COc1ccc(C)cc1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222361647 568751160 /nfs/dbraw/zinc/75/11/60/568751160.db2.gz LECGQATUDOIHIA-UHFFFAOYSA-N 0 0 421.475 3.097 40 5 HGBBRN CC[C@@H](C(=O)Nc1cccc(C)c1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222516890 568761280 /nfs/dbraw/zinc/76/12/80/568761280.db2.gz BDQBOOXADCJYDU-SFHVURJKSA-N 0 0 405.476 3.395 40 5 HGBBRN CC[C@H](C(=O)Nc1ccc(Cl)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222514579 568761342 /nfs/dbraw/zinc/76/13/42/568761342.db2.gz OIMSJYIJSQMGPG-MRXNPFEDSA-N 0 0 411.867 3.432 40 5 HGBBRN CC[C@@H](C(=O)Nc1ccc(OC)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222532903 568762712 /nfs/dbraw/zinc/76/27/12/568762712.db2.gz XQKZGQGEMDITHH-KRWDZBQOSA-N 0 0 421.475 3.095 40 5 HGBBRN CS(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1 ZINC000218251623 568837006 /nfs/dbraw/zinc/83/70/06/568837006.db2.gz ZGJRATNAKFXVLN-UHFFFAOYSA-N 0 0 418.258 3.306 40 5 HGBBRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000008286464 568987532 /nfs/dbraw/zinc/98/75/32/568987532.db2.gz MEPZTIZOPMULAZ-UHFFFAOYSA-N 0 0 403.460 3.330 40 5 HGBBRN CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3C)c(Cl)cc21 ZINC000223366258 568988001 /nfs/dbraw/zinc/98/80/01/568988001.db2.gz SWRUQRWAJFKAAW-UHFFFAOYSA-N 0 0 411.823 3.285 40 5 HGBBRN CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000001634420 569031436 /nfs/dbraw/zinc/03/14/36/569031436.db2.gz XEVHPUJPPIXGEM-UHFFFAOYSA-N 0 0 413.415 3.334 40 5 HGBBRN Cc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)c1 ZINC000223762560 569031523 /nfs/dbraw/zinc/03/15/23/569031523.db2.gz JAROJYXJLHHXSX-UHFFFAOYSA-N 0 0 402.432 3.082 40 5 HGBBRN COC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1Cl ZINC000223833985 569031775 /nfs/dbraw/zinc/03/17/75/569031775.db2.gz VWWDNBUODQEASS-UHFFFAOYSA-N 0 0 405.215 3.489 40 5 HGBBRN COc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000006275149 569036518 /nfs/dbraw/zinc/03/65/18/569036518.db2.gz VEYNMWWJXSYJLG-UHFFFAOYSA-N 0 0 410.249 3.493 40 5 HGBBRN COC(=O)COc1ccc2c(c1)c1ccnc3c1n2c(=O)c1c3ccc(OC)c1OC ZINC000008792325 569061206 /nfs/dbraw/zinc/06/12/06/569061206.db2.gz CDRAFANCTANWMK-UHFFFAOYSA-N 0 0 418.405 3.161 40 5 biogenic HGBBRN CSC1=NN2[C@@H](c3cc([N+](=O)[O-])ccc3Cl)Nc3ccccc3[C@H]2C(=O)N1 ZINC000588229137 569246175 /nfs/dbraw/zinc/24/61/75/569246175.db2.gz HRCAWCIFOWQFOI-GJZGRUSLSA-N 0 0 403.851 3.479 40 5 HGBBRN O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017090264 569273761 /nfs/dbraw/zinc/27/37/61/569273761.db2.gz FKDSGVWOPVUDBS-UHFFFAOYSA-N 0 0 415.431 3.230 40 5 HGBBRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000017093798 569274205 /nfs/dbraw/zinc/27/42/05/569274205.db2.gz CDGBAKSUWPRFTA-UHFFFAOYSA-N 0 0 424.335 3.484 40 5 HGBBRN Cc1cc(C)cc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000017089878 569274366 /nfs/dbraw/zinc/27/43/66/569274366.db2.gz LJYXJUPNWSEHCI-UHFFFAOYSA-N 0 0 414.487 3.175 40 5 HGBBRN Cc1cccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1C ZINC000017089891 569274372 /nfs/dbraw/zinc/27/43/72/569274372.db2.gz WJRIPFZGMGHVLC-UHFFFAOYSA-N 0 0 414.487 3.175 40 5 HGBBRN Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1C ZINC000017089901 569274383 /nfs/dbraw/zinc/27/43/83/569274383.db2.gz AMYRDUXFYPTURZ-UHFFFAOYSA-N 0 0 414.487 3.175 40 5 HGBBRN CCOC(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224766988 569288576 /nfs/dbraw/zinc/28/85/76/569288576.db2.gz CXKQRNXHOALRIS-UHFFFAOYSA-N 0 0 406.460 3.224 40 5 HGBBRN CCc1ccc([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 ZINC000224930843 569297026 /nfs/dbraw/zinc/29/70/26/569297026.db2.gz KJKVDAXIUCWIFM-HNNXBMFYSA-N 0 0 419.503 3.109 40 5 HGBBRN CCOC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(SC)cc1 ZINC000224990113 569317593 /nfs/dbraw/zinc/31/75/93/569317593.db2.gz FSYGIMNJARBECH-UHFFFAOYSA-N 0 0 424.500 3.384 40 5 HGBBRN COC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225011185 569323427 /nfs/dbraw/zinc/32/34/27/569323427.db2.gz XMUOGMOXHMIMIQ-UHFFFAOYSA-N 0 0 419.242 3.270 40 5 HGBBRN CCOC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225074945 569323988 /nfs/dbraw/zinc/32/39/88/569323988.db2.gz QOUGXOXQIKWINS-UHFFFAOYSA-N 0 0 422.459 3.060 40 5 HGBBRN CCCCCNC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 ZINC000006320299 569330687 /nfs/dbraw/zinc/33/06/87/569330687.db2.gz HMJWTQDWKDKOAK-UHFFFAOYSA-N 0 0 405.476 3.097 40 5 HGBBRN CCCCc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000006323642 569330736 /nfs/dbraw/zinc/33/07/36/569330736.db2.gz LXAQZKHDTJLWDE-UHFFFAOYSA-N 0 0 405.476 3.342 40 5 HGBBRN Cc1c(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C ZINC000020238380 569349546 /nfs/dbraw/zinc/34/95/46/569349546.db2.gz QCWPIVNLFLNAQA-UHFFFAOYSA-N 0 0 412.471 3.265 40 5 HGBBRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000010119896 569395117 /nfs/dbraw/zinc/39/51/17/569395117.db2.gz AWHNQAUHIITWLC-UHFFFAOYSA-N 0 0 410.415 3.330 40 5 HGBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000225509737 569403617 /nfs/dbraw/zinc/40/36/17/569403617.db2.gz MUYBLGGRTUKJDG-CYBMUJFWSA-N 0 0 423.878 3.288 40 5 HGBBRN Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000013424046 569413849 /nfs/dbraw/zinc/41/38/49/569413849.db2.gz SACSFUHQTUFJIK-UHFFFAOYSA-N 0 0 414.403 3.029 40 5 HGBBRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2ccccn2)n1 ZINC000329036501 571305882 /nfs/dbraw/zinc/30/58/82/571305882.db2.gz RJOJHFWBSKALSA-QGZVFWFLSA-N 0 0 412.425 3.758 40 5 HGBBRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2ccncc2)n1 ZINC000329051957 571306291 /nfs/dbraw/zinc/30/62/91/571306291.db2.gz VAPAJIUDBUZWGL-KRWDZBQOSA-N 0 0 412.425 3.758 40 5 HGBBRN CCc1nnc(-n2ccc3nc4ccn(-c5ccc(Cl)cc5)c(=O)c4cc3c2=O)[nH]1 ZINC000040399134 522123901 /nfs/dbraw/zinc/12/39/01/522123901.db2.gz TXLXITTVCHGPIJ-UHFFFAOYSA-N 0 0 418.844 3.024 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000016347382 558787327 /nfs/dbraw/zinc/78/73/27/558787327.db2.gz UGJBOFNDIIXOLA-UHFFFAOYSA-N 0 0 413.455 3.316 40 5 HGBBRN O=[N+]([O-])c1ccccc1N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000004683013 558893711 /nfs/dbraw/zinc/89/37/11/558893711.db2.gz OCMWVYODQVCYPU-UHFFFAOYSA-N 0 0 418.452 3.179 40 5 HGBBRN Cc1ccc(C)c([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 ZINC000220032646 558945893 /nfs/dbraw/zinc/94/58/93/558945893.db2.gz BJQNURBSHPFNFB-MRXNPFEDSA-N 0 0 419.503 3.163 40 5 HGBBRN COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O ZINC000205759872 559053245 /nfs/dbraw/zinc/05/32/45/559053245.db2.gz VEMKLJPZGSEIPD-OVCLIPMQSA-N 0 0 402.384 3.373 40 5 HGBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1ccccc1Cl)S(C)(=O)=O ZINC000220379477 559066020 /nfs/dbraw/zinc/06/60/20/559066020.db2.gz OAYJUSSCHCHPPY-LBPRGKRZSA-N 0 0 411.867 3.350 40 5 HGBBRN C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220408951 559074222 /nfs/dbraw/zinc/07/42/22/559074222.db2.gz GKBUNTRNYGSFTL-JTQLQIEISA-N 0 0 415.830 3.181 40 5 HGBBRN CSc1ccccc1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220412303 559076722 /nfs/dbraw/zinc/07/67/22/559076722.db2.gz BDUKZCMUMCETHN-LBPRGKRZSA-N 0 0 409.489 3.110 40 5 HGBBRN Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C ZINC000220423424 559078671 /nfs/dbraw/zinc/07/86/71/559078671.db2.gz LDNVBOIYZCAQQL-JKSUJKDBSA-N 0 0 419.503 3.244 40 5 HGBBRN O=[N+]([O-])c1ccccc1COc1ccc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)cc1 ZINC000408603649 559220789 /nfs/dbraw/zinc/22/07/89/559220789.db2.gz GOJOVNJSUZHTNQ-JXMROGBWSA-N 0 0 410.342 3.454 40 5 HGBBRN Cc1ccc([C@@H](CCC(=O)[O-])[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000408609115 559221252 /nfs/dbraw/zinc/22/12/52/559221252.db2.gz OBWINDCNMBXZHX-HXUWFJFHSA-N 0 0 411.458 3.267 40 5 HGBBRN Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000408660571 559223385 /nfs/dbraw/zinc/22/33/85/559223385.db2.gz AVLPMZZVCQTRPM-UHFFFAOYSA-N 0 0 419.821 3.457 40 5 HGBBRN Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000408662452 559223659 /nfs/dbraw/zinc/22/36/59/559223659.db2.gz ISVPTUYUHKXTPS-UHFFFAOYSA-N 0 0 419.821 3.457 40 5 HGBBRN C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)C(=O)c1ccc(Cl)cc1 ZINC000408663019 559223729 /nfs/dbraw/zinc/22/37/29/559223729.db2.gz YBOYHXZYZZGZSW-TZMCWYRMSA-N 0 0 416.817 3.416 40 5 HGBBRN COc1cccc(OC)c1NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004981350 559223843 /nfs/dbraw/zinc/22/38/43/559223843.db2.gz JZEOTEDHXMSHOY-HNNXBMFYSA-N 0 0 414.418 3.247 40 5 HGBBRN COc1ccc(-c2ccc(C=Cc3nc(O)c([N+](=O)[O-])c(O)n3)o2)c([N+](=O)[O-])c1 ZINC000409345203 560714611 /nfs/dbraw/zinc/71/46/11/560714611.db2.gz KFKCLOMKTUYZMN-DAXSKMNVSA-N 0 0 400.303 3.143 40 5 HGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)Nc2nc(-c3ccc(Cl)cc3)nn21 ZINC000014607335 560847037 /nfs/dbraw/zinc/84/70/37/560847037.db2.gz HTZJRFCWLNQYEC-CQSZACIVSA-N 0 0 412.793 3.029 40 5 HGBBRN COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(F)(F)F)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000049113251 568446987 /nfs/dbraw/zinc/44/69/87/568446987.db2.gz INXXHECQFQBZDC-OAHLLOKOSA-N 0 0 414.336 3.108 40 5 HGBBRN O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000020611548 568636176 /nfs/dbraw/zinc/63/61/76/568636176.db2.gz GELQWSJLTPMLSX-UHFFFAOYSA-N 0 0 406.236 3.446 40 5 HGBBRN O=C(Cn1ccc(=O)c2ccc(Br)cc21)Nc1cccc([N+](=O)[O-])c1 ZINC000225740795 568725871 /nfs/dbraw/zinc/72/58/71/568725871.db2.gz OHMUKMDEYUCPHR-UHFFFAOYSA-N 0 0 402.204 3.311 40 5 HGBBRN Cc1ccc([C@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000222367236 568751315 /nfs/dbraw/zinc/75/13/15/568751315.db2.gz NPYRSACVMMZCDR-INIZCTEOSA-N 0 0 419.503 3.327 40 5 HGBBRN CC[C@H](C(=O)Nc1cccc(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222514438 568761282 /nfs/dbraw/zinc/76/12/82/568761282.db2.gz UAHNYKYIOCROSS-MRXNPFEDSA-N 0 0 411.867 3.432 40 5 HGBBRN CC[C@@H](C(=O)N(C)Cc1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222530776 568762811 /nfs/dbraw/zinc/76/28/11/568762811.db2.gz XIAROWTWYXOVDX-SFHVURJKSA-N 0 0 419.503 3.106 40 5 HGBBRN CC[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1C ZINC000022348323 568766657 /nfs/dbraw/zinc/76/66/57/568766657.db2.gz PRGNTCUPCOZCLN-IBGZPJMESA-N 0 0 419.503 3.245 40 5 HGBBRN COCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 ZINC000225564480 568773802 /nfs/dbraw/zinc/77/38/02/568773802.db2.gz CMDQGAGQCDSWHX-UHFFFAOYSA-N 0 0 400.431 3.307 40 5 HGBBRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222874897 568822492 /nfs/dbraw/zinc/82/24/92/568822492.db2.gz RYRINVWSCLADDC-MRXNPFEDSA-N 0 0 415.515 3.034 40 5 HGBBRN O=C(CN1CCN(c2nc(-c3ccccc3)cs2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000057688582 568858166 /nfs/dbraw/zinc/85/81/66/568858166.db2.gz IMSJWUXOTMBKMY-UHFFFAOYSA-N 0 0 423.498 3.479 40 5 HGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cn2c3c(cc(Br)cc3c1=O)CC2 ZINC000223101531 568914073 /nfs/dbraw/zinc/91/40/73/568914073.db2.gz BHCHOPISIUEALX-UHFFFAOYSA-N 0 0 414.215 3.481 40 5 HGBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc2nsnc2c1 ZINC000059294155 568950175 /nfs/dbraw/zinc/95/01/75/568950175.db2.gz WYEAKTBKMUNGEQ-UHFFFAOYSA-N 0 0 416.469 3.336 40 5 HGBBRN CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3C)c(Cl)cc21 ZINC000223366350 568988069 /nfs/dbraw/zinc/98/80/69/568988069.db2.gz GIESTBCIUPSVPV-UHFFFAOYSA-N 0 0 411.823 3.285 40 5 HGBBRN CCOC(=O)[C@H](c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)OCC)c1ccc([N+](=O)[O-])cc1 ZINC000001871117 569148915 /nfs/dbraw/zinc/14/89/15/569148915.db2.gz COXAROUYLKIQFD-QZTJIDSGSA-N 0 0 416.386 3.497 40 5 HGBBRN C[C@H]1CN([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)C[C@H](C)O1 ZINC000036664754 569217246 /nfs/dbraw/zinc/21/72/46/569217246.db2.gz NYFHBIAJUKMRKB-BHDSKKPTSA-N 0 0 410.685 3.130 40 5 HGBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000138967882 569224250 /nfs/dbraw/zinc/22/42/50/569224250.db2.gz WCRUBDGPOXDMJO-KDURUIRLSA-N 0 0 407.426 3.327 40 5 HGBBRN CSC1=NN2[C@H](c3cc([N+](=O)[O-])ccc3Cl)Nc3ccccc3[C@H]2C(=O)N1 ZINC000588229139 569246217 /nfs/dbraw/zinc/24/62/17/569246217.db2.gz HRCAWCIFOWQFOI-LSDHHAIUSA-N 0 0 403.851 3.479 40 5 HGBBRN CCCC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 ZINC000017089124 569274230 /nfs/dbraw/zinc/27/42/30/569274230.db2.gz SXLUOMZBPIREIE-UHFFFAOYSA-N 0 0 412.446 3.422 40 5 HGBBRN CCOC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224768264 569288531 /nfs/dbraw/zinc/28/85/31/569288531.db2.gz JUCINQLCIMTAGB-UHFFFAOYSA-N 0 0 412.851 3.315 40 5 HGBBRN COC(=O)CN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224790241 569289514 /nfs/dbraw/zinc/28/95/14/569289514.db2.gz PGYRYKGAECRBBC-UHFFFAOYSA-N 0 0 422.459 3.059 40 5 HGBBRN CCOC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225005328 569322038 /nfs/dbraw/zinc/32/20/38/569322038.db2.gz BFWXXIPWPCKSLC-UHFFFAOYSA-N 0 0 412.851 3.315 40 5 HGBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225010714 569323436 /nfs/dbraw/zinc/32/34/36/569323436.db2.gz QTOAUHFUMSKQBN-MRXNPFEDSA-N 0 0 413.474 3.089 40 5 HGBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccc(Cl)cc1 ZINC000007881654 569338138 /nfs/dbraw/zinc/33/81/38/569338138.db2.gz XCEASQRPWJDVTJ-ZDUSSCGKSA-N 0 0 402.790 3.027 40 5 HGBBRN CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 ZINC000008475252 569341282 /nfs/dbraw/zinc/34/12/82/569341282.db2.gz MOHVKDCNMLZBGZ-MJGOQNOKSA-N 0 0 419.437 3.494 40 5 HGBBRN COc1ccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)c(OC)c1 ZINC000021571339 569349758 /nfs/dbraw/zinc/34/97/58/569349758.db2.gz QDPSRTGMGFSVQB-UHFFFAOYSA-N 0 0 416.415 3.393 40 5 HGBBRN COc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)c([N+](=O)[O-])c1 ZINC000009056866 569391285 /nfs/dbraw/zinc/39/12/85/569391285.db2.gz GGKWDMXHVKFODM-UHFFFAOYSA-N 0 0 410.415 3.154 40 5 HGBBRN CC[C@H](C(=O)N[C@H](C)c1ccc(C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260504103 569407354 /nfs/dbraw/zinc/40/73/54/569407354.db2.gz CTNHXFIOXZMAMI-DNVCBOLYSA-N 0 0 419.503 3.325 40 5 HGBBRN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000260833562 569409956 /nfs/dbraw/zinc/40/99/56/569409956.db2.gz YZPNNRMQAUNJIU-INIZCTEOSA-N 0 0 417.487 3.251 40 5 HGBBRN COc1ccc(Nc2nc(Nc3ccc4[nH]c(=O)[nH]c4c3)nc(C)c2[N+](=O)[O-])cc1 ZINC000019143328 569414216 /nfs/dbraw/zinc/41/42/16/569414216.db2.gz AUPQVERFQPHURK-UHFFFAOYSA-N 0 0 407.390 3.359 40 5 HGBBRN COc1ccc(Nc2cc(-c3ccccn3)nc(N[C@H](CO)C(C)C)n2)c([N+](=O)[O-])c1 ZINC000329053248 571309272 /nfs/dbraw/zinc/30/92/72/571309272.db2.gz VFBXDJILVULBJJ-GOSISDBHSA-N 0 0 424.461 3.628 40 5 HGBBRN Cc1cc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000006415110 132310859 /nfs/dbraw/zinc/31/08/59/132310859.db2.gz CFCSLHHSYQBEQU-UHFFFAOYSA-N 0 0 410.474 3.460 40 5 HGBBRN CCCCCCn1ccc2nc3ccn(-c4nc(SC)n[nH]4)c(=O)c3cc2c1=O ZINC000040398857 520140436 /nfs/dbraw/zinc/14/04/36/520140436.db2.gz UWQXLFJGWZXSIC-UHFFFAOYSA-N 0 0 410.503 3.121 40 5 HGBBRN CCSc1n[nH]c(-n2ccc3nc4ccn(C5CCCCC5)c(=O)c4cc3c2=O)n1 ZINC000040398909 521783771 /nfs/dbraw/zinc/78/37/71/521783771.db2.gz FOELPPFWEDAZFQ-UHFFFAOYSA-N 0 0 422.514 3.436 40 5 HGBBRN CSc1n[nH]c(-n2ccc3nc4ccn([C@@H]5CCCC[C@@H]5C)c(=O)c4cc3c2=O)n1 ZINC000040398866 526205863 /nfs/dbraw/zinc/20/58/63/526205863.db2.gz DIVOGUQDRRZMQA-YVEFUNNKSA-N 0 0 422.514 3.292 40 5 HGBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000020111014 527129905 /nfs/dbraw/zinc/12/99/05/527129905.db2.gz XQKMNSQGAAACFI-UHFFFAOYSA-N 0 0 423.878 3.426 40 5 HGBBRN O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000020142915 527136027 /nfs/dbraw/zinc/13/60/27/527136027.db2.gz APQOAIZYYFRALK-UHFFFAOYSA-N 0 0 423.425 3.436 40 5 HGBBRN COCCNc1cc(N2CCN(C(=O)c3ccccc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000010231821 536895035 /nfs/dbraw/zinc/89/50/35/536895035.db2.gz IHNNLSGTWPHTOM-UHFFFAOYSA-N 0 0 418.881 3.269 40 5 HGBBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O ZINC000005947939 557682262 /nfs/dbraw/zinc/68/22/62/557682262.db2.gz LCVQIGKRXCZMTG-PILJQMSFSA-N 0 0 415.427 3.373 40 5 HGBBRN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000214648228 558262163 /nfs/dbraw/zinc/26/21/63/558262163.db2.gz WPIFVIMJIRWPTE-MHWRWJLKSA-N 0 0 413.411 3.278 40 5 HGBBRN CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(OC)c(OC)c1 ZINC000219828662 558299550 /nfs/dbraw/zinc/29/95/50/558299550.db2.gz BUQKLAJVNHFUNV-HNNXBMFYSA-N 0 0 404.419 3.267 40 5 HGBBRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715738 558857922 /nfs/dbraw/zinc/85/79/22/558857922.db2.gz MMWUCUDVXZQYGQ-MRXNPFEDSA-N 0 0 409.439 3.226 40 5 HGBBRN Cc1ccc([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c(C)c1 ZINC000220036241 558945885 /nfs/dbraw/zinc/94/58/85/558945885.db2.gz YGVPHSUKOXZIAW-INIZCTEOSA-N 0 0 419.503 3.163 40 5 HGBBRN COc1ccc(C)cc1N([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000220338855 559062206 /nfs/dbraw/zinc/06/22/06/559062206.db2.gz AKGOGRYHNLYVIE-CQSZACIVSA-N 0 0 421.475 3.013 40 5 HGBBRN CCc1ccccc1NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000220379204 559065974 /nfs/dbraw/zinc/06/59/74/559065974.db2.gz IQKHEUAXKSPGPV-AWEZNQCLSA-N 0 0 405.476 3.259 40 5 HGBBRN COc1ccc(C)cc1NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000220385165 559068434 /nfs/dbraw/zinc/06/84/34/559068434.db2.gz HECPBOMFLOMNFZ-CQSZACIVSA-N 0 0 421.475 3.013 40 5 HGBBRN CSc1ccccc1NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000220390290 559068927 /nfs/dbraw/zinc/06/89/27/559068927.db2.gz SFIGMPVWBJYRHU-ZDUSSCGKSA-N 0 0 423.516 3.418 40 5 HGBBRN CC(C)Oc1ccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220413074 559076714 /nfs/dbraw/zinc/07/67/14/559076714.db2.gz NXUCALKCBWFGFH-AWEZNQCLSA-N 0 0 421.475 3.175 40 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CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 ZINC000408683966 559224626 /nfs/dbraw/zinc/22/46/26/559224626.db2.gz MOHVKDCNMLZBGZ-HKUYNNGSSA-N 0 0 419.437 3.494 40 5 HGBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000409105353 559240747 /nfs/dbraw/zinc/24/07/47/559240747.db2.gz MZEVQVTUTFUIOB-XBDQXEDDSA-N 0 0 402.384 3.453 40 5 HGBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000409354348 559248190 /nfs/dbraw/zinc/24/81/90/559248190.db2.gz CRQWBNZLZUQKCB-MHWRWJLKSA-N 0 0 413.411 3.278 40 5 HGBBRN CCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000005500998 560600982 /nfs/dbraw/zinc/60/09/82/560600982.db2.gz IAOUUJHCROABNZ-UHFFFAOYSA-N 0 0 402.432 3.079 40 5 HGBBRN CC[C@H](C)Nc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NCc1ccco1 ZINC000004985867 560619203 /nfs/dbraw/zinc/61/92/03/560619203.db2.gz IWIGGUOKJIZMHZ-AWEZNQCLSA-N 0 0 405.458 3.285 40 5 HGBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccccc1 ZINC000005572022 560622636 /nfs/dbraw/zinc/62/26/36/560622636.db2.gz OFRUACXZTWNROF-UHFFFAOYSA-N 0 0 404.879 3.085 40 5 HGBBRN COc1ccc(NC(=S)NC(=O)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000005611793 560630571 /nfs/dbraw/zinc/63/05/71/560630571.db2.gz WCIHGOPXRWJGGZ-UHFFFAOYSA-N 0 0 410.249 3.493 40 5 HGBBRN CCc1cccc(CC)c1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000409123142 560679915 /nfs/dbraw/zinc/67/99/15/560679915.db2.gz FJMHVVJMUDSVJT-UHFFFAOYSA-N 0 0 405.476 3.124 40 5 HGBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1O ZINC000409348001 560713237 /nfs/dbraw/zinc/71/32/37/560713237.db2.gz OETLZSQTVGVYAF-RQZCQDPDSA-N 0 0 414.395 3.228 40 5 HGBBRN CCCOc1ccc(N2C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2=O)cc1 ZINC000005708186 560794149 /nfs/dbraw/zinc/79/41/49/560794149.db2.gz JSZGRXWSHQRDOX-CQSZACIVSA-N 0 0 413.430 3.384 40 5 HGBBRN Cc1nnc2sc(-c3ccccc3NC(=O)COc3ccccc3[N+](=O)[O-])nn12 ZINC000021595737 568467638 /nfs/dbraw/zinc/46/76/38/568467638.db2.gz HBUVMTNJGJTDDX-UHFFFAOYSA-N 0 0 410.415 3.087 40 5 HGBBRN CCc1nnc2sc(-c3cccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)nn12 ZINC000057316892 568490953 /nfs/dbraw/zinc/49/09/53/568490953.db2.gz ABKCMSZFJMIVGZ-UHFFFAOYSA-N 0 0 424.442 3.341 40 5 HGBBRN CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)C1CCCC1 ZINC000020107227 568587888 /nfs/dbraw/zinc/58/78/88/568587888.db2.gz NNMZUQKQHNANOG-UHFFFAOYSA-N 0 0 417.487 3.191 40 5 HGBBRN CCOc1ccc([C@H](N)c2n[nH]c(-c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1OCC ZINC000095534614 568635906 /nfs/dbraw/zinc/63/59/06/568635906.db2.gz LHBBYOSFROXWCH-SFHVURJKSA-N 0 0 413.434 3.234 40 5 HGBBRN CCOc1cccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000222366232 568751357 /nfs/dbraw/zinc/75/13/57/568751357.db2.gz GKLOMHQAWGHJET-UHFFFAOYSA-N 0 0 421.475 3.178 40 5 HGBBRN CCc1ccc(NC(=O)[C@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000222517089 568761285 /nfs/dbraw/zinc/76/12/85/568761285.db2.gz JNKITWCTECJSSM-SFHVURJKSA-N 0 0 405.476 3.341 40 5 HGBBRN CC[C@@H](C(=O)Nc1ccc(C)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222513202 568761306 /nfs/dbraw/zinc/76/13/06/568761306.db2.gz OXHAMKKKDOOYCP-SFHVURJKSA-N 0 0 405.476 3.395 40 5 HGBBRN CC[C@H](C(=O)N[C@H](C)c1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222518744 568761460 /nfs/dbraw/zinc/76/14/60/568761460.db2.gz JOFZSVQUSGKOLX-RDTXWAMCSA-N 0 0 405.476 3.017 40 5 HGBBRN Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1N1CCCCS1(=O)=O ZINC000222568797 568763707 /nfs/dbraw/zinc/76/37/07/568763707.db2.gz XMEQRJPRKFOOIR-UHFFFAOYSA-N 0 0 403.460 3.394 40 5 HGBBRN CCOc1ccccc1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222684757 568767901 /nfs/dbraw/zinc/76/79/01/568767901.db2.gz PEAFFOHQJVZTPQ-UHFFFAOYSA-N 0 0 421.475 3.178 40 5 HGBBRN Cc1ccc(C(O)=C2[C@H](c3cccc([N+](=O)[O-])c3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000001155248 568774275 /nfs/dbraw/zinc/77/42/75/568774275.db2.gz TUHGGHNGNPMCAZ-RVKKMQEKSA-N 0 0 423.347 3.007 40 5 HGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000015271311 568866315 /nfs/dbraw/zinc/86/63/15/568866315.db2.gz NVUIJNXLCCYMHA-UHFFFAOYSA-N 0 0 419.459 3.030 40 5 HGBBRN Nc1cccc(CNC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)c1 ZINC000254896295 568935749 /nfs/dbraw/zinc/93/57/49/568935749.db2.gz GQRZVDFVVHIFNX-KGENOOAVSA-N 0 0 416.437 3.264 40 5 HGBBRN Nc1nc(Nc2ccc(OCc3ccccc3)cc2)nc(N2CCOCC2)c1[N+](=O)[O-] ZINC000027795837 568957271 /nfs/dbraw/zinc/95/72/71/568957271.db2.gz YMJIUOSHAHAXIO-UHFFFAOYSA-N 0 0 422.445 3.126 40 5 HGBBRN CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3C)c(Cl)cc21 ZINC000223366742 568987922 /nfs/dbraw/zinc/98/79/22/568987922.db2.gz ZBLGHGADMQTVDP-UHFFFAOYSA-N 0 0 411.823 3.285 40 5 HGBBRN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000016267534 569030391 /nfs/dbraw/zinc/03/03/91/569030391.db2.gz KFMMVQSKOSCTOC-UHFFFAOYSA-N 0 0 405.476 3.088 40 5 HGBBRN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc21 ZINC000223848288 569031842 /nfs/dbraw/zinc/03/18/42/569031842.db2.gz LSMQWSUNCSRTNK-UHFFFAOYSA-N 0 0 409.851 3.348 40 5 HGBBRN CCCOC(=O)c1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000006246234 569034574 /nfs/dbraw/zinc/03/45/74/569034574.db2.gz GHLYBQFCOBGIAY-UHFFFAOYSA-N 0 0 413.430 3.251 40 5 HGBBRN C[C@@H](CCCNC(=O)c1ccc([N+](=O)[O-])cc1)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006850737 569154497 /nfs/dbraw/zinc/15/44/97/569154497.db2.gz UNTGRMCAWOSHIV-AWEZNQCLSA-N 0 0 414.418 3.079 40 5 HGBBRN C[C@H](CCCNC(=O)c1ccc([N+](=O)[O-])cc1)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006852796 569154564 /nfs/dbraw/zinc/15/45/64/569154564.db2.gz UNTGRMCAWOSHIV-CQSZACIVSA-N 0 0 414.418 3.079 40 5 HGBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2O)o1 ZINC000006906674 569177447 /nfs/dbraw/zinc/17/74/47/569177447.db2.gz CLVXMXXJGRAOFW-UHFFFAOYSA-N 0 0 402.388 3.090 40 5 HGBBRN CCC[C@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000006946651 569188274 /nfs/dbraw/zinc/18/82/74/569188274.db2.gz CSIBYGWHPBGNFX-HNNXBMFYSA-N 0 0 405.476 3.095 40 5 HGBBRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000017091014 569273669 /nfs/dbraw/zinc/27/36/69/569273669.db2.gz FABTXAXAZLBDAF-UHFFFAOYSA-N 0 0 417.377 3.413 40 5 HGBBRN CCc1ccccc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000017089900 569274309 /nfs/dbraw/zinc/27/43/09/569274309.db2.gz CEKDXISJSVJELR-UHFFFAOYSA-N 0 0 414.487 3.121 40 5 HGBBRN Cc1cc(C)nc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000017089913 569274531 /nfs/dbraw/zinc/27/45/31/569274531.db2.gz BYHOATGLKMFRIX-UHFFFAOYSA-N 0 0 414.491 3.119 40 5 HGBBRN COC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224781808 569289508 /nfs/dbraw/zinc/28/95/08/569289508.db2.gz SCYOZTHPVXEZQG-UHFFFAOYSA-N 0 0 416.814 3.064 40 5 HGBBRN CCOC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225004513 569322047 /nfs/dbraw/zinc/32/20/47/569322047.db2.gz YXWXDDBVNGFHPZ-UHFFFAOYSA-N 0 0 412.851 3.315 40 5 HGBBRN CCCCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000006597049 569333746 /nfs/dbraw/zinc/33/37/46/569333746.db2.gz AMYOZXKGBMRQLF-UHFFFAOYSA-N 0 0 405.476 3.097 40 5 HGBBRN Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000007881677 569338164 /nfs/dbraw/zinc/33/81/64/569338164.db2.gz PBGIHPULAAXAFD-WBVHZDCISA-N 0 0 410.426 3.379 40 5 HGBBRN Cc1ccc(C)n1NC(=O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000008475684 569341309 /nfs/dbraw/zinc/34/13/09/569341309.db2.gz QVMKGXOIIFFTRP-UHFFFAOYSA-N 0 0 404.382 3.198 40 5 HGBBRN Cc1ccc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C ZINC000010324450 569343666 /nfs/dbraw/zinc/34/36/66/569343666.db2.gz VRRKFDMQZKBZQC-UHFFFAOYSA-N 0 0 405.476 3.397 40 5 HGBBRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000010331304 569343766 /nfs/dbraw/zinc/34/37/66/569343766.db2.gz AXKVVKBBOCASDT-LBPRGKRZSA-N 0 0 411.867 3.350 40 5 HGBBRN Cc1ccc(C)c(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 ZINC000010338879 569343981 /nfs/dbraw/zinc/34/39/81/569343981.db2.gz IZDQSLTXOWRWFM-OAHLLOKOSA-N 0 0 405.476 3.313 40 5 HGBBRN COc1cc(OC)cc(-c2nc(SCC(=O)c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000107659401 569352831 /nfs/dbraw/zinc/35/28/31/569352831.db2.gz UAJZOJXBPSJHDT-UHFFFAOYSA-N 0 0 400.416 3.372 40 5 HGBBRN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1c(F)c(F)c(F)c(F)c1F ZINC000008902390 569390838 /nfs/dbraw/zinc/39/08/38/569390838.db2.gz BQHQQHJJKBBDDI-UHFFFAOYSA-N 0 0 417.290 3.379 40 5 HGBBRN O=C(Oc1ccc(I)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008927083 569390996 /nfs/dbraw/zinc/39/09/96/569390996.db2.gz ONXSSGLPRZUQQJ-UHFFFAOYSA-N 0 0 414.111 3.327 40 5 HGBBRN COC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113883133 569393346 /nfs/dbraw/zinc/39/33/46/569393346.db2.gz HCQMKZYIDNCRPF-UHFFFAOYSA-N 0 0 419.242 3.270 40 5 HGBBRN O=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000009721074 569393910 /nfs/dbraw/zinc/39/39/10/569393910.db2.gz QRLRPEBJLXICLN-UHFFFAOYSA-N 0 0 407.342 3.403 40 5 HGBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3ccccc3[N+](=O)[O-])nc21 ZINC000010010670 569394964 /nfs/dbraw/zinc/39/49/64/569394964.db2.gz DUTSFGBWCMOVIB-UHFFFAOYSA-N 0 0 404.360 3.139 40 5 HGBBRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000019161000 569414245 /nfs/dbraw/zinc/41/42/45/569414245.db2.gz KAHOVQBYFRVTFJ-UHFFFAOYSA-N 0 0 417.487 3.251 40 5 HGBBRN CNc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328980035 569423009 /nfs/dbraw/zinc/42/30/09/569423009.db2.gz GKXWORKMIJHCLY-UHFFFAOYSA-N 0 0 419.363 3.448 40 5 HGBBRN